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)[C@H](CC(N)=O)c1ccccc1 5342335 537776453 /nfs/dbraw/zinc/77/64/53/537776453.db2.gz JJYMVYSGHLOINM-SNVBAGLBSA-N 0 3 192.262 1.165 20 0 ADADHN CN(C)[C@@H](CC(N)=O)c1ccccc1 5342316 537776477 /nfs/dbraw/zinc/77/64/77/537776477.db2.gz JJYMVYSGHLOINM-JTQLQIEISA-N 0 3 192.262 1.165 20 0 ADADHN Cc1cccc2cc(CN)c(=O)[nH]c12 11980029 537777562 /nfs/dbraw/zinc/77/75/62/537777562.db2.gz GGEWJGKAXUTTPU-UHFFFAOYSA-N 0 3 188.230 1.295 20 0 ADADHN C[C@H](NCCN(C)C)c1ccco1 19255218 537778181 /nfs/dbraw/zinc/77/81/81/537778181.db2.gz WDKDDAOTEYPZKS-VIFPVBQESA-N 0 3 182.267 1.492 20 0 ADADHN CCNCc1ccc(OC)nc1 20186396 537780368 /nfs/dbraw/zinc/78/03/68/537780368.db2.gz KVRXIZUTFHBWPI-UHFFFAOYSA-N 0 3 166.224 1.200 20 0 ADADHN C[C@H](NCCCO)c1cccc(O)c1 20188131 537780504 /nfs/dbraw/zinc/78/05/04/537780504.db2.gz SHLBCUHRCMSLSM-VIFPVBQESA-N 0 3 195.262 1.425 20 0 ADADHN C[C@@H](NCCCO)c1cccc(O)c1 20188129 537781736 /nfs/dbraw/zinc/78/17/36/537781736.db2.gz SHLBCUHRCMSLSM-SECBINFHSA-N 0 3 195.262 1.425 20 0 ADADHN Cc1cc([C@H](C)NCCCO)c(C)o1 20439319 537784999 /nfs/dbraw/zinc/78/49/99/537784999.db2.gz LJHLCUCWZRYGOQ-VIFPVBQESA-N 0 3 197.278 1.929 20 0 ADADHN C[C@H](NCCO)c1ccccc1Cl 20360891 537785079 /nfs/dbraw/zinc/78/50/79/537785079.db2.gz AUQGOUSCSNBVLK-QMMMGPOBSA-N 0 3 199.681 1.983 20 0 ADADHN Cc1cc([C@@H](C)NCCCO)c(C)o1 20439315 537785225 /nfs/dbraw/zinc/78/52/25/537785225.db2.gz LJHLCUCWZRYGOQ-SECBINFHSA-N 0 3 197.278 1.929 20 0 ADADHN CC[C@H](CO)NCc1c(C)noc1C 20253406 537785459 /nfs/dbraw/zinc/78/54/59/537785459.db2.gz YYCBFYUDVKWOCL-SECBINFHSA-N 0 3 198.266 1.152 20 0 ADADHN OCCNCc1ccc(Cl)s1 20360892 537785479 /nfs/dbraw/zinc/78/54/79/537785479.db2.gz CWBHGVLSEKSSRQ-UHFFFAOYSA-N 0 3 191.683 1.483 20 0 ADADHN CC[C@@H](CO)NCc1c(C)noc1C 20253405 537785492 /nfs/dbraw/zinc/78/54/92/537785492.db2.gz YYCBFYUDVKWOCL-VIFPVBQESA-N 0 3 198.266 1.152 20 0 ADADHN C[C@H](NCCN(C)C)c1cscn1 22862508 537789605 /nfs/dbraw/zinc/78/96/05/537789605.db2.gz CFYGBZCNUFVPDA-QMMMGPOBSA-N 0 3 199.323 1.355 20 0 ADADHN C[C@H](c1ccccc1)N(C)CCO 34412893 537793135 /nfs/dbraw/zinc/79/31/35/537793135.db2.gz SSIFUVGVZPYBFP-SNVBAGLBSA-N 0 3 179.263 1.672 20 0 ADADHN C[C@@H](c1ccccc1)N(C)CCO 34412892 537794122 /nfs/dbraw/zinc/79/41/22/537794122.db2.gz SSIFUVGVZPYBFP-JTQLQIEISA-N 0 3 179.263 1.672 20 0 ADADHN Cc1cc([C@@H](C)N[C@H](C)CO)c(C)o1 35602215 537794644 /nfs/dbraw/zinc/79/46/44/537794644.db2.gz RBCRGXZOVZQYEW-VXNVDRBHSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@@H](C)NC[C@H](C)O)c(C)o1 35601451 537794774 /nfs/dbraw/zinc/79/47/74/537794774.db2.gz APOCMCURCBOITL-IONNQARKSA-N 0 3 197.278 1.928 20 0 ADADHN CN(CCCO)Cc1cccc(F)c1 35114608 537794808 /nfs/dbraw/zinc/79/48/08/537794808.db2.gz ZJQGDGUEMROVSZ-UHFFFAOYSA-N 0 3 197.253 1.640 20 0 ADADHN Cc1cc([C@H](C)N[C@H](C)CO)c(C)o1 35602216 537795321 /nfs/dbraw/zinc/79/53/21/537795321.db2.gz RBCRGXZOVZQYEW-APPZFPTMSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@H](C)N[C@@H](C)CO)c(C)o1 35602214 537795375 /nfs/dbraw/zinc/79/53/75/537795375.db2.gz RBCRGXZOVZQYEW-CBAPKCEASA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@H](C)NC[C@@H](C)O)c(C)o1 35601450 537795466 /nfs/dbraw/zinc/79/54/66/537795466.db2.gz APOCMCURCBOITL-APPZFPTMSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1ccc(CN(C)CCCO)cc1 35114603 537795541 /nfs/dbraw/zinc/79/55/41/537795541.db2.gz LZMPLBPJBQPFLJ-UHFFFAOYSA-N 0 3 193.290 1.809 20 0 ADADHN Cc1ccc(CN[C@H](C)C(N)=O)s1 35148870 537795941 /nfs/dbraw/zinc/79/59/41/537795941.db2.gz KDDAKWDUPSVWBP-SSDOTTSWSA-N 0 3 198.291 1.020 20 0 ADADHN Cc1cc([C@@H](C)N[C@@H](C)CO)c(C)o1 35602213 537796212 /nfs/dbraw/zinc/79/62/12/537796212.db2.gz RBCRGXZOVZQYEW-IONNQARKSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@H](C)NC[C@H](C)O)c(C)o1 35601452 537796551 /nfs/dbraw/zinc/79/65/51/537796551.db2.gz APOCMCURCBOITL-CBAPKCEASA-N 0 3 197.278 1.928 20 0 ADADHN CN(CCCO)Cc1cccs1 35123857 537796959 /nfs/dbraw/zinc/79/69/59/537796959.db2.gz DKRDGRVWGOKXFR-UHFFFAOYSA-N 0 3 185.292 1.562 20 0 ADADHN Cc1ccsc1CN[C@H](C)C(N)=O 35148864 537797168 /nfs/dbraw/zinc/79/71/68/537797168.db2.gz WASGJOAXBWIMGY-SSDOTTSWSA-N 0 3 198.291 1.020 20 0 ADADHN c1coc(CNC[C@H]2CCCCO2)c1 35150996 537797243 /nfs/dbraw/zinc/79/72/43/537797243.db2.gz CVXZDLVDKFPNDL-SNVBAGLBSA-N 0 3 195.262 1.938 20 0 ADADHN CNCC(=O)N[C@@H](C)CCC(C)C 35141423 537797713 /nfs/dbraw/zinc/79/77/13/537797713.db2.gz YSSKDLOLUWFJBT-VIFPVBQESA-N 0 3 186.299 1.147 20 0 ADADHN c1coc(CNC[C@@H]2CCCCO2)c1 35150995 537797863 /nfs/dbraw/zinc/79/78/63/537797863.db2.gz CVXZDLVDKFPNDL-JTQLQIEISA-N 0 3 195.262 1.938 20 0 ADADHN Cc1cc([C@@H](C)NC[C@@H](C)O)c(C)o1 35601449 537797983 /nfs/dbraw/zinc/79/79/83/537797983.db2.gz APOCMCURCBOITL-VXNVDRBHSA-N 0 3 197.278 1.928 20 0 ADADHN CNCC(=O)N[C@H](C)CCC(C)C 35141421 537798795 /nfs/dbraw/zinc/79/87/95/537798795.db2.gz YSSKDLOLUWFJBT-SECBINFHSA-N 0 3 186.299 1.147 20 0 ADADHN C[C@H](NC[C@@H]1CCOC1)c1ccco1 35738776 537799628 /nfs/dbraw/zinc/79/96/28/537799628.db2.gz QGQQDWPAVYJNDM-UWVGGRQHSA-N 0 3 195.262 1.967 20 0 ADADHN Cc1c[nH]c([C@H](N)C(C)C)n1 36323851 537800573 /nfs/dbraw/zinc/80/05/73/537800573.db2.gz ZMAFLERHBFUQFP-SSDOTTSWSA-N 0 3 153.229 1.374 20 0 ADADHN C[C@H](NC[C@H]1CCOC1)c1ccco1 35738778 537801419 /nfs/dbraw/zinc/80/14/19/537801419.db2.gz QGQQDWPAVYJNDM-VHSXEESVSA-N 0 3 195.262 1.967 20 0 ADADHN Cc1ccc(CNCCC(N)=O)s1 36746883 537802656 /nfs/dbraw/zinc/80/26/56/537802656.db2.gz NSFVZFGBZSPDSS-UHFFFAOYSA-N 0 3 198.291 1.022 20 0 ADADHN CC(C)CN[C@H](C)c1nncn1C 37016814 537804629 /nfs/dbraw/zinc/80/46/29/537804629.db2.gz KBZHFLUUODCQML-MRVPVSSYSA-N 0 3 182.271 1.122 20 0 ADADHN CC(C)CNCc1cc[nH]n1 36899949 537805459 /nfs/dbraw/zinc/80/54/59/537805459.db2.gz JFNBMWUDMUZZDN-UHFFFAOYSA-N 0 3 153.229 1.155 20 0 ADADHN CC(C)[C@H](C)N[C@@H](C)c1nncn1C 37017204 537805524 /nfs/dbraw/zinc/80/55/24/537805524.db2.gz DWRHMVWPKVKCPE-IUCAKERBSA-N 0 3 196.298 1.510 20 0 ADADHN CC[C@H](C)CN[C@H](C)c1nncn1C 37016488 537805856 /nfs/dbraw/zinc/80/58/56/537805856.db2.gz OJDZGQZOUOQVHD-DTWKUNHWSA-N 0 3 196.298 1.512 20 0 ADADHN CCCCCN[C@H](C)c1nncn1C 37016350 537806250 /nfs/dbraw/zinc/80/62/50/537806250.db2.gz LXZHBFTUXGMGEN-SECBINFHSA-N 0 3 196.298 1.656 20 0 ADADHN CCC[C@H](C)NCc1cc[nH]n1 36899973 537806509 /nfs/dbraw/zinc/80/65/09/537806509.db2.gz OGLZSJQGVLXCJN-QMMMGPOBSA-N 0 3 167.256 1.688 20 0 ADADHN CC(C)CN[C@@H](C)c1nncn1C 37016813 537806652 /nfs/dbraw/zinc/80/66/52/537806652.db2.gz KBZHFLUUODCQML-QMMMGPOBSA-N 0 3 182.271 1.122 20 0 ADADHN CC(C)CCN[C@H](C)c1nncn1C 37016835 537806697 /nfs/dbraw/zinc/80/66/97/537806697.db2.gz ODLIHSOAABVFGR-SECBINFHSA-N 0 3 196.298 1.512 20 0 ADADHN CC(C)[C@H](C)N[C@H](C)c1nncn1C 37017206 537806975 /nfs/dbraw/zinc/80/69/75/537806975.db2.gz DWRHMVWPKVKCPE-DTWKUNHWSA-N 0 3 196.298 1.510 20 0 ADADHN CC[C@@H](C)CN[C@H](C)c1nncn1C 37016487 537807252 /nfs/dbraw/zinc/80/72/52/537807252.db2.gz OJDZGQZOUOQVHD-RKDXNWHRSA-N 0 3 196.298 1.512 20 0 ADADHN CC[C@H](C)CN[C@@H](C)c1nncn1C 37016486 537807384 /nfs/dbraw/zinc/80/73/84/537807384.db2.gz OJDZGQZOUOQVHD-IUCAKERBSA-N 0 3 196.298 1.512 20 0 ADADHN CCC[C@@H](C)NCc1cc[nH]n1 36899972 537807875 /nfs/dbraw/zinc/80/78/75/537807875.db2.gz OGLZSJQGVLXCJN-MRVPVSSYSA-N 0 3 167.256 1.688 20 0 ADADHN CC(C)CCN[C@@H](C)c1nncn1C 37016834 537808019 /nfs/dbraw/zinc/80/80/19/537808019.db2.gz ODLIHSOAABVFGR-VIFPVBQESA-N 0 3 196.298 1.512 20 0 ADADHN CC(C)[C@@H](C)N[C@@H](C)c1nncn1C 37017203 537808077 /nfs/dbraw/zinc/80/80/77/537808077.db2.gz DWRHMVWPKVKCPE-BDAKNGLRSA-N 0 3 196.298 1.510 20 0 ADADHN CCCCCN[C@@H](C)c1nncn1C 37016349 537808230 /nfs/dbraw/zinc/80/82/30/537808230.db2.gz LXZHBFTUXGMGEN-VIFPVBQESA-N 0 3 196.298 1.656 20 0 ADADHN CCCCN[C@@H](C)c1nncn1C 37017555 537808262 /nfs/dbraw/zinc/80/82/62/537808262.db2.gz IUNVXRBGWTVCNL-QMMMGPOBSA-N 0 3 182.271 1.266 20 0 ADADHN CC[C@@H](C)CN[C@@H](C)c1nncn1C 37016485 537808626 /nfs/dbraw/zinc/80/86/26/537808626.db2.gz OJDZGQZOUOQVHD-BDAKNGLRSA-N 0 3 196.298 1.512 20 0 ADADHN CC(C)[C@@H](C)N[C@H](C)c1nncn1C 37017205 537808685 /nfs/dbraw/zinc/80/86/85/537808685.db2.gz DWRHMVWPKVKCPE-RKDXNWHRSA-N 0 3 196.298 1.510 20 0 ADADHN CCCCN[C@H](C)c1nncn1C 37017556 537808796 /nfs/dbraw/zinc/80/87/96/537808796.db2.gz IUNVXRBGWTVCNL-MRVPVSSYSA-N 0 3 182.271 1.266 20 0 ADADHN CC(C)NCC(=O)N1CCC[C@H](C)C1 37394690 537813833 /nfs/dbraw/zinc/81/38/33/537813833.db2.gz YZPSMCMVONTFBR-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)NCC(=O)N1CCCC[C@H]1C 37394701 537814590 /nfs/dbraw/zinc/81/45/90/537814590.db2.gz YTUXWCBVBKZAKU-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CCCCN(C)C(=O)CNC(C)C 37394726 537814774 /nfs/dbraw/zinc/81/47/74/537814774.db2.gz YAWVDVLOKWBSQU-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CC[C@H](C)NCc1nnc2n1CCC2 37475047 537814959 /nfs/dbraw/zinc/81/49/59/537814959.db2.gz YWEAKWSKXSXZFB-QMMMGPOBSA-N 0 3 194.282 1.112 20 0 ADADHN CCCCCNC(=O)CNC(C)C 37394768 537816329 /nfs/dbraw/zinc/81/63/29/537816329.db2.gz XEKNLYXHOOJRSY-UHFFFAOYSA-N 0 3 186.299 1.291 20 0 ADADHN CC(C)NCC(=O)N1CCC[C@@H](C)C1 37394689 537817096 /nfs/dbraw/zinc/81/70/96/537817096.db2.gz YZPSMCMVONTFBR-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)NCC(=O)N1CCCC[C@@H]1C 37394702 537817952 /nfs/dbraw/zinc/81/79/52/537817952.db2.gz YTUXWCBVBKZAKU-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CCCN[C@@H](C)c1cnccn1 37469142 537818215 /nfs/dbraw/zinc/81/82/15/537818215.db2.gz BBIGBBYLYXFAEV-QMMMGPOBSA-N 0 3 165.240 1.537 20 0 ADADHN CCn1cc(CNC(C)(C)CC)nn1 685946878 537818235 /nfs/dbraw/zinc/81/82/35/537818235.db2.gz DUNRIKGYAPOWMF-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CC[C@@H](C)NCc1nnc2n1CCC2 37475046 537818689 /nfs/dbraw/zinc/81/86/89/537818689.db2.gz YWEAKWSKXSXZFB-MRVPVSSYSA-N 0 3 194.282 1.112 20 0 ADADHN CC[C@H](O)CN[C@H](C)c1ccncc1 37688778 537819024 /nfs/dbraw/zinc/81/90/24/537819024.db2.gz QHCMDQAOHGWLBQ-KOLCDFICSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](O)CN[C@@H](C)c1cccnc1 37688772 537819064 /nfs/dbraw/zinc/81/90/64/537819064.db2.gz XMKNWCMTZSEXDB-ONGXEEELSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](O)CN[C@H](C)c1ccco1 37688800 537819343 /nfs/dbraw/zinc/81/93/43/537819343.db2.gz VNWNRXGCKBNWOF-BDAKNGLRSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@H](O)CN(C)Cc1cccnc1 37694026 537819590 /nfs/dbraw/zinc/81/95/90/537819590.db2.gz YRPIJUZNUJUMGJ-NSHDSACASA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@@H](O)CN[C@@H](C)c1ccco1 37688799 537820232 /nfs/dbraw/zinc/82/02/32/537820232.db2.gz VNWNRXGCKBNWOF-DTWKUNHWSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@@H](O)CN[C@H](C)c1ccco1 37688801 537820275 /nfs/dbraw/zinc/82/02/75/537820275.db2.gz VNWNRXGCKBNWOF-RKDXNWHRSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@H](O)CN[C@H](C)c1cccnc1 37688774 537820817 /nfs/dbraw/zinc/82/08/17/537820817.db2.gz XMKNWCMTZSEXDB-KOLCDFICSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](O)CN[C@@H](C)c1ccncc1 37688776 537820865 /nfs/dbraw/zinc/82/08/65/537820865.db2.gz QHCMDQAOHGWLBQ-ONGXEEELSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@@H](O)CN[C@H](C)c1ccccn1 37688783 537820918 /nfs/dbraw/zinc/82/09/18/537820918.db2.gz AQCFATORVVQDQJ-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@@H](O)CN(C)Cc1cccnc1 37694027 537821256 /nfs/dbraw/zinc/82/12/56/537821256.db2.gz YRPIJUZNUJUMGJ-LLVKDONJSA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@H](O)CN[C@@H](C)c1ccco1 37688798 537821279 /nfs/dbraw/zinc/82/12/79/537821279.db2.gz VNWNRXGCKBNWOF-IUCAKERBSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@@H](O)CN[C@H](C)c1cccnc1 37688775 537821301 /nfs/dbraw/zinc/82/13/01/537821301.db2.gz XMKNWCMTZSEXDB-MWLCHTKSSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](O)CN[C@H](C)c1ccccn1 37688782 537821539 /nfs/dbraw/zinc/82/15/39/537821539.db2.gz AQCFATORVVQDQJ-ZJUUUORDSA-N 0 3 194.278 1.503 20 0 ADADHN CCNC(=O)[C@@H](N)C1CCCCCC1 685948136 537821713 /nfs/dbraw/zinc/82/17/13/537821713.db2.gz YNVRPCHLXKIRCN-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H](NC[C@@H](C)N(C)C)c1ccco1 38088492 537822389 /nfs/dbraw/zinc/82/23/89/537822389.db2.gz WJBBPLWMXFMRSD-ZJUUUORDSA-N 0 3 196.294 1.880 20 0 ADADHN CC[C@@H](C)[C@@H](C)NCc1nncn1C 38007665 537823260 /nfs/dbraw/zinc/82/32/60/537823260.db2.gz CKIUBWLGAUBOPB-RKDXNWHRSA-N 0 3 196.298 1.339 20 0 ADADHN CCNC(=O)[C@H](N)C1CCCCCC1 685948137 537823290 /nfs/dbraw/zinc/82/32/90/537823290.db2.gz YNVRPCHLXKIRCN-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN CCCC[C@@H](C)NCc1nncn1C 38007868 537824463 /nfs/dbraw/zinc/82/44/63/537824463.db2.gz IEQRDWZWGMEBKS-SECBINFHSA-N 0 3 196.298 1.483 20 0 ADADHN C[C@H](NC[C@H](C)N(C)C)c1ccco1 38088491 537824711 /nfs/dbraw/zinc/82/47/11/537824711.db2.gz WJBBPLWMXFMRSD-UWVGGRQHSA-N 0 3 196.294 1.880 20 0 ADADHN CC[C@H](C)[C@H](C)NCc1nncn1C 38007668 537824728 /nfs/dbraw/zinc/82/47/28/537824728.db2.gz CKIUBWLGAUBOPB-IUCAKERBSA-N 0 3 196.298 1.339 20 0 ADADHN CCc1ncc(CNC2CC2)s1 37923631 537825612 /nfs/dbraw/zinc/82/56/12/537825612.db2.gz HAQUBNYFLPMOET-UHFFFAOYSA-N 0 3 182.292 1.958 20 0 ADADHN CC[C@H]1CCCN1C(=O)CNC(C)C 37915042 537825685 /nfs/dbraw/zinc/82/56/85/537825685.db2.gz WLNKERXGCMEFRT-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CCCC[C@H](C)NCc1nncn1C 38007869 537826387 /nfs/dbraw/zinc/82/63/87/537826387.db2.gz IEQRDWZWGMEBKS-VIFPVBQESA-N 0 3 196.298 1.483 20 0 ADADHN C[C@H](CNCc1ccccn1)N(C)C 38088442 537826612 /nfs/dbraw/zinc/82/66/12/537826612.db2.gz XATJULSUCYSNTL-SNVBAGLBSA-N 0 3 193.294 1.121 20 0 ADADHN CC[C@H](C)[C@@H](C)NCc1nncn1C 38007666 537826660 /nfs/dbraw/zinc/82/66/60/537826660.db2.gz CKIUBWLGAUBOPB-DTWKUNHWSA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@@H]1CCCN1C(=O)CNC(C)C 37915041 537826674 /nfs/dbraw/zinc/82/66/74/537826674.db2.gz WLNKERXGCMEFRT-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@@H](NC[C@@H](C)N(C)C)c1ccco1 38088494 537826715 /nfs/dbraw/zinc/82/67/15/537826715.db2.gz WJBBPLWMXFMRSD-NXEZZACHSA-N 0 3 196.294 1.880 20 0 ADADHN CC[C@@H](C)[C@H](C)NCc1nncn1C 38007667 537826842 /nfs/dbraw/zinc/82/68/42/537826842.db2.gz CKIUBWLGAUBOPB-BDAKNGLRSA-N 0 3 196.298 1.339 20 0 ADADHN C[C@@H](CN[C@H](C)c1ccco1)N(C)C 38088493 537827825 /nfs/dbraw/zinc/82/78/25/537827825.db2.gz WJBBPLWMXFMRSD-VHSXEESVSA-N 0 3 196.294 1.880 20 0 ADADHN CC(C)N[C@@H](CO)c1ccc(F)cc1 38115755 537828638 /nfs/dbraw/zinc/82/86/38/537828638.db2.gz NRNMRWKHSKNPQH-NSHDSACASA-N 0 3 197.253 1.857 20 0 ADADHN CC(C)N[C@H](CO)c1ccc(F)cc1 38115756 537829830 /nfs/dbraw/zinc/82/98/30/537829830.db2.gz NRNMRWKHSKNPQH-LLVKDONJSA-N 0 3 197.253 1.857 20 0 ADADHN CCCN[C@@H](CO)c1cccc(F)c1 38123316 537830411 /nfs/dbraw/zinc/83/04/11/537830411.db2.gz CMRRPALGCWOCCZ-NSHDSACASA-N 0 3 197.253 1.859 20 0 ADADHN CC(C)N(C)Cc1ccc(CO)o1 38583619 537830626 /nfs/dbraw/zinc/83/06/26/537830626.db2.gz KAUFXMMZDRYAEC-UHFFFAOYSA-N 0 3 183.251 1.612 20 0 ADADHN Nc1c2c(nc3ccccc13)CCNC2 38974121 537830832 /nfs/dbraw/zinc/83/08/32/537830832.db2.gz RSPNTMZVBGWPLC-UHFFFAOYSA-N 0 3 199.257 1.463 20 0 ADADHN CC(C)N[C@H](CO)c1cccc(F)c1 38115676 537830862 /nfs/dbraw/zinc/83/08/62/537830862.db2.gz IOUFWEUXJHMJOH-LLVKDONJSA-N 0 3 197.253 1.857 20 0 ADADHN CCCN[C@@H](CO)c1ccc(F)cc1 38123398 537830930 /nfs/dbraw/zinc/83/09/30/537830930.db2.gz QFZFSDYAWIWVIW-NSHDSACASA-N 0 3 197.253 1.859 20 0 ADADHN CCCN[C@H](CO)c1ccc(F)cc1 38123399 537831170 /nfs/dbraw/zinc/83/11/70/537831170.db2.gz QFZFSDYAWIWVIW-LLVKDONJSA-N 0 3 197.253 1.859 20 0 ADADHN CCCN[C@H](CO)c1cccc(F)c1 38123317 537831259 /nfs/dbraw/zinc/83/12/59/537831259.db2.gz CMRRPALGCWOCCZ-LLVKDONJSA-N 0 3 197.253 1.859 20 0 ADADHN CC(C)N[C@@H](CO)c1cccc(F)c1 38115675 537831394 /nfs/dbraw/zinc/83/13/94/537831394.db2.gz IOUFWEUXJHMJOH-NSHDSACASA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 40456455 537834771 /nfs/dbraw/zinc/83/47/71/537834771.db2.gz RLHYPWJBPDJDNV-QCLAVDOMSA-N 0 3 198.310 1.275 20 0 ADADHN CCc1cc(NCCN(C)C)ncn1 40765003 537834911 /nfs/dbraw/zinc/83/49/11/537834911.db2.gz YRRLSLYWACCGSV-UHFFFAOYSA-N 0 3 194.282 1.013 20 0 ADADHN CCCN(CCC)CC(=O)NC1CC1 39975170 537836141 /nfs/dbraw/zinc/83/61/41/537836141.db2.gz XBHYARUWYBHKGN-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCN1CCN(CC)CC1 39113755 537836780 /nfs/dbraw/zinc/83/67/80/537836780.db2.gz ANOSFGTVKYVBCM-UHFFFAOYSA-N 0 3 170.300 1.424 20 0 ADADHN CCc1nccn1CCN(C)C 41392099 537838744 /nfs/dbraw/zinc/83/87/44/537838744.db2.gz JACNIJAOXYPFPW-UHFFFAOYSA-N 0 3 167.256 1.007 20 0 ADADHN CC(C)OCCNCc1cccnc1 42222017 537840548 /nfs/dbraw/zinc/84/05/48/537840548.db2.gz RFFDXTWLPPMWHI-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN CCc1ccc([C@H](C)NCCO)s1 41062270 537840576 /nfs/dbraw/zinc/84/05/76/537840576.db2.gz YYGIZOXESYURHT-QMMMGPOBSA-N 0 3 199.319 1.953 20 0 ADADHN CC[C@H](C)CNCc1cc[nH]n1 41014717 537840979 /nfs/dbraw/zinc/84/09/79/537840979.db2.gz SWBCZLOWOQTYPD-QMMMGPOBSA-N 0 3 167.256 1.545 20 0 ADADHN CC[C@@H](C)CNCc1cc[nH]n1 41014714 537841186 /nfs/dbraw/zinc/84/11/86/537841186.db2.gz SWBCZLOWOQTYPD-MRVPVSSYSA-N 0 3 167.256 1.545 20 0 ADADHN CC(C)OCCNCc1ccncc1 42222009 537841515 /nfs/dbraw/zinc/84/15/15/537841515.db2.gz LOZOVXMERGPOSE-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN CCc1ccc([C@@H](C)NCCO)s1 41062269 537841864 /nfs/dbraw/zinc/84/18/64/537841864.db2.gz YYGIZOXESYURHT-MRVPVSSYSA-N 0 3 199.319 1.953 20 0 ADADHN CC(C)N(CCO)Cc1cccs1 42221358 537842190 /nfs/dbraw/zinc/84/21/90/537842190.db2.gz XJWBYNWGKIXODG-UHFFFAOYSA-N 0 3 199.319 1.951 20 0 ADADHN CN(C)CCN(C)Cc1ccco1 41392372 537842766 /nfs/dbraw/zinc/84/27/66/537842766.db2.gz QADLDLIDZQLLOW-UHFFFAOYSA-N 0 3 182.267 1.273 20 0 ADADHN CC(C)CNCc1ccno1 41042026 537843696 /nfs/dbraw/zinc/84/36/96/537843696.db2.gz JUOBOGIJLFELDR-UHFFFAOYSA-N 0 3 154.213 1.420 20 0 ADADHN C[C@H](NCCCCO)c1ccccn1 43445475 537845203 /nfs/dbraw/zinc/84/52/03/537845203.db2.gz QATLBHGNJIYMMH-JTQLQIEISA-N 0 3 194.278 1.505 20 0 ADADHN CCn1cc([C@@H](C)NC2CC2)cn1 44494179 537845217 /nfs/dbraw/zinc/84/52/17/537845217.db2.gz JPKFQMIIGIGDRZ-MRVPVSSYSA-N 0 3 179.267 1.716 20 0 ADADHN COC[C@@H](C)CNCc1ccccn1 44478289 537846653 /nfs/dbraw/zinc/84/66/53/537846653.db2.gz FQSLUWGPRMZJCO-JTQLQIEISA-N 0 3 194.278 1.454 20 0 ADADHN Cc1cc(CNCC(C)C)no1 44294720 537846992 /nfs/dbraw/zinc/84/69/92/537846992.db2.gz GIBLXAVYBKSYPU-UHFFFAOYSA-N 0 3 168.240 1.729 20 0 ADADHN CCn1cc([C@@H](C)NCCOC)cn1 44494247 537847048 /nfs/dbraw/zinc/84/70/48/537847048.db2.gz QOCINKQKTIINRC-SECBINFHSA-N 0 3 197.282 1.200 20 0 ADADHN C[C@H](O)CN(Cc1ccco1)C1CC1 42693171 537847126 /nfs/dbraw/zinc/84/71/26/537847126.db2.gz XRRLXTMVBUBYGR-VIFPVBQESA-N 0 3 195.262 1.625 20 0 ADADHN CCn1cc([C@H](C)NC2CC2)cn1 44494180 537847249 /nfs/dbraw/zinc/84/72/49/537847249.db2.gz JPKFQMIIGIGDRZ-QMMMGPOBSA-N 0 3 179.267 1.716 20 0 ADADHN COC[C@H](C)CNCc1ccccn1 44478291 537848275 /nfs/dbraw/zinc/84/82/75/537848275.db2.gz FQSLUWGPRMZJCO-SNVBAGLBSA-N 0 3 194.278 1.454 20 0 ADADHN C[C@H](NCCCCO)c1ccco1 43445486 537848421 /nfs/dbraw/zinc/84/84/21/537848421.db2.gz RYCDXROUNJJKGT-VIFPVBQESA-N 0 3 183.251 1.703 20 0 ADADHN C[C@H](NCCCCO)c1cccnc1 43445471 537849010 /nfs/dbraw/zinc/84/90/10/537849010.db2.gz VIQZJIUPWGLTOR-JTQLQIEISA-N 0 3 194.278 1.505 20 0 ADADHN C[C@H](NCCN(C)C)c1nccs1 45206161 537850139 /nfs/dbraw/zinc/85/01/39/537850139.db2.gz YDOSCMQGBJKGFC-QMMMGPOBSA-N 0 3 199.323 1.355 20 0 ADADHN CCn1cc([C@H](C)NCCOC)cn1 44494248 537853124 /nfs/dbraw/zinc/85/31/24/537853124.db2.gz QOCINKQKTIINRC-VIFPVBQESA-N 0 3 197.282 1.200 20 0 ADADHN COCC[C@@H](C)NCc1ccccn1 45017894 537853166 /nfs/dbraw/zinc/85/31/66/537853166.db2.gz HXJZIBBOVNVVBB-SNVBAGLBSA-N 0 3 194.278 1.596 20 0 ADADHN COCC[C@H](C)NCc1ccccn1 45017892 537854340 /nfs/dbraw/zinc/85/43/40/537854340.db2.gz HXJZIBBOVNVVBB-JTQLQIEISA-N 0 3 194.278 1.596 20 0 ADADHN Cc1cccc(C[C@H]2CNCCO2)c1 71505852 537865185 /nfs/dbraw/zinc/86/51/85/537865185.db2.gz STZVAUCDPJMNEK-LBPRGKRZSA-N 0 3 191.274 1.526 20 0 ADADHN Cc1ccc(C[C@H]2CNCCO2)cc1 71505854 537865795 /nfs/dbraw/zinc/86/57/95/537865795.db2.gz VDUODZXRVRJODT-LBPRGKRZSA-N 0 3 191.274 1.526 20 0 ADADHN Cc1ccc(C[C@@H]2CNCCO2)cc1 71505853 537867385 /nfs/dbraw/zinc/86/73/85/537867385.db2.gz VDUODZXRVRJODT-GFCCVEGCSA-N 0 3 191.274 1.526 20 0 ADADHN CC(C)c1nn2cccnc2c1CN 71471006 537868223 /nfs/dbraw/zinc/86/82/23/537868223.db2.gz KHOGWDQBVXGOIU-UHFFFAOYSA-N 0 3 190.250 1.311 20 0 ADADHN Cc1cccc(C[C@@H]2CNCCO2)c1 71505851 537868517 /nfs/dbraw/zinc/86/85/17/537868517.db2.gz STZVAUCDPJMNEK-GFCCVEGCSA-N 0 3 191.274 1.526 20 0 ADADHN CCC(N)(CC)c1ncccn1 70948645 537869080 /nfs/dbraw/zinc/86/90/80/537869080.db2.gz ONJNQEZLVKQFOK-UHFFFAOYSA-N 0 3 165.240 1.451 20 0 ADADHN CCCC(=O)Nc1cccc(CN)n1 74379885 537870014 /nfs/dbraw/zinc/87/00/14/537870014.db2.gz NAXLFIIWBILPQE-UHFFFAOYSA-N 0 3 193.250 1.279 20 0 ADADHN CC1(C)CCC2(CC1)CNCCO2 76608953 537870304 /nfs/dbraw/zinc/87/03/04/537870304.db2.gz RTPPOEYEFKTZES-UHFFFAOYSA-N 0 3 183.295 1.945 20 0 ADADHN CCC(=O)[C@H](C)NC1CC1 77260301 537871321 /nfs/dbraw/zinc/87/13/21/537871321.db2.gz ATAWASZUWBFWJI-LURJTMIESA-N 0 3 141.214 1.106 20 0 ADADHN CC(C)Cc1[nH]nc2c1CNCC2 77267918 537873485 /nfs/dbraw/zinc/87/34/85/537873485.db2.gz YBPIIEUORLWTNH-UHFFFAOYSA-N 0 3 179.267 1.254 20 0 ADADHN CC(C)Cc1n[nH]c2c1CNCC2 77267918 537873491 /nfs/dbraw/zinc/87/34/91/537873491.db2.gz YBPIIEUORLWTNH-UHFFFAOYSA-N 0 3 179.267 1.254 20 0 ADADHN CC(C)C(=O)C1(N)CCCC1 74342668 537873587 /nfs/dbraw/zinc/87/35/87/537873587.db2.gz NETMLBUGDVMXLX-UHFFFAOYSA-N 0 3 155.241 1.483 20 0 ADADHN CCC(=O)[C@@H](C)NC1CC1 77260300 537873630 /nfs/dbraw/zinc/87/36/30/537873630.db2.gz ATAWASZUWBFWJI-ZCFIWIBFSA-N 0 3 141.214 1.106 20 0 ADADHN CC(C)C(=O)[C@H](C)NC1CC1 77260880 537873661 /nfs/dbraw/zinc/87/36/61/537873661.db2.gz FFPWFZIRMXKVQD-ZETCQYMHSA-N 0 3 155.241 1.352 20 0 ADADHN CC(C)C(=O)[C@@H](C)NC1CC1 77260879 537873789 /nfs/dbraw/zinc/87/37/89/537873789.db2.gz FFPWFZIRMXKVQD-SSDOTTSWSA-N 0 3 155.241 1.352 20 0 ADADHN CC(C)C(=O)Nc1cccc(CN)n1 74379897 537873995 /nfs/dbraw/zinc/87/39/95/537873995.db2.gz YGVRBRXUFPMPMM-UHFFFAOYSA-N 0 3 193.250 1.135 20 0 ADADHN FCCN1CCCCC1 78318289 537877765 /nfs/dbraw/zinc/87/77/65/537877765.db2.gz OVJXCAXFJTWWSX-UHFFFAOYSA-N 0 3 131.194 1.442 20 0 ADADHN CCCCNCc1cn(CC)nn1 82018392 537878916 /nfs/dbraw/zinc/87/89/16/537878916.db2.gz FYMBDAPZMJSBIF-UHFFFAOYSA-N 0 3 182.271 1.188 20 0 ADADHN CC[C@H](N)c1cncs1 82409622 537879861 /nfs/dbraw/zinc/87/98/61/537879861.db2.gz UWMSEEVEIGMHRK-YFKPBYRVSA-N 0 3 142.227 1.553 20 0 ADADHN CCC(=O)C1(N)CCCC1 82409946 537879901 /nfs/dbraw/zinc/87/99/01/537879901.db2.gz UVSCMYBDMIBAFY-UHFFFAOYSA-N 0 3 141.214 1.237 20 0 ADADHN CC[C@@H](N)c1cncs1 82409623 537881496 /nfs/dbraw/zinc/88/14/96/537881496.db2.gz UWMSEEVEIGMHRK-RXMQYKEDSA-N 0 3 142.227 1.553 20 0 ADADHN CCc1nc2ccccn2c1CN 82634184 537884917 /nfs/dbraw/zinc/88/49/17/537884917.db2.gz XKZYOXBVKXTVBP-UHFFFAOYSA-N 0 3 175.235 1.355 20 0 ADADHN CCCc1nc2ccccn2c1CN 82636318 537885719 /nfs/dbraw/zinc/88/57/19/537885719.db2.gz CSRDHNPMDYVZGC-UHFFFAOYSA-N 0 3 189.262 1.746 20 0 ADADHN CC(C)c1nc2ccccn2c1CN 82636320 537886019 /nfs/dbraw/zinc/88/60/19/537886019.db2.gz UFKXTXLWGPQFCJ-UHFFFAOYSA-N 0 3 189.262 1.916 20 0 ADADHN CNCC(=O)C1CCCCC1 82844749 537891225 /nfs/dbraw/zinc/89/12/25/537891225.db2.gz BQLANLLRXQBGIZ-UHFFFAOYSA-N 0 3 155.241 1.355 20 0 ADADHN C[C@H](N)c1nnc(C2CCC2)[nH]1 83136686 537892837 /nfs/dbraw/zinc/89/28/37/537892837.db2.gz ANDVDDLRTOFCQB-YFKPBYRVSA-N 0 3 166.228 1.092 20 0 ADADHN C[C@H](N)c1n[nH]c(C2CCC2)n1 83136686 537892846 /nfs/dbraw/zinc/89/28/46/537892846.db2.gz ANDVDDLRTOFCQB-YFKPBYRVSA-N 0 3 166.228 1.092 20 0 ADADHN NCc1nsc2ccc(F)cc12 82886779 537895813 /nfs/dbraw/zinc/89/58/13/537895813.db2.gz LQDILGFTJLLBDE-UHFFFAOYSA-N 0 3 182.223 1.894 20 0 ADADHN C[C@@H](N)c1nnc(C2CCC2)[nH]1 83136688 537895883 /nfs/dbraw/zinc/89/58/83/537895883.db2.gz ANDVDDLRTOFCQB-RXMQYKEDSA-N 0 3 166.228 1.092 20 0 ADADHN C[C@@H](N)c1n[nH]c(C2CCC2)n1 83136688 537895890 /nfs/dbraw/zinc/89/58/90/537895890.db2.gz ANDVDDLRTOFCQB-RXMQYKEDSA-N 0 3 166.228 1.092 20 0 ADADHN CC[C@H]1NCCc2ncn(C)c21 83963041 537904727 /nfs/dbraw/zinc/90/47/27/537904727.db2.gz BDGPHLMOCLDHRN-SSDOTTSWSA-N 0 3 165.240 1.017 20 0 ADADHN CC(C)(C)[C@H]1NCCc2nc[nH]c21 83964123 537904757 /nfs/dbraw/zinc/90/47/57/537904757.db2.gz KTKYCUSNPAYVFK-VIFPVBQESA-N 0 3 179.267 1.643 20 0 ADADHN CC(C)(C)[C@@H]1NCCc2nc[nH]c21 83964124 537905038 /nfs/dbraw/zinc/90/50/38/537905038.db2.gz KTKYCUSNPAYVFK-SECBINFHSA-N 0 3 179.267 1.643 20 0 ADADHN CCC[C@@H]1NCCc2ncn(C)c21 83964139 537905581 /nfs/dbraw/zinc/90/55/81/537905581.db2.gz VAEWVROMCLZVIK-QMMMGPOBSA-N 0 3 179.267 1.407 20 0 ADADHN Cn1cnc2c1[C@@H](C1CC1)NCC2 83963910 537905992 /nfs/dbraw/zinc/90/59/92/537905992.db2.gz WWWMBXIBRBQCPJ-SECBINFHSA-N 0 3 177.251 1.017 20 0 ADADHN CNCC(=O)Cc1cccs1 83963297 537906059 /nfs/dbraw/zinc/90/60/59/537906059.db2.gz WDKDECVQWMKUQU-UHFFFAOYSA-N 0 3 169.249 1.079 20 0 ADADHN c1nc2c([nH]1)[C@@H](C1CCC1)NCC2 83963911 537906209 /nfs/dbraw/zinc/90/62/09/537906209.db2.gz MDUDLXRHPZXMAQ-SECBINFHSA-N 0 3 177.251 1.397 20 0 ADADHN CCC1(CC)NCCc2ncn(C)c21 84258979 537906262 /nfs/dbraw/zinc/90/62/62/537906262.db2.gz VPYGUFAGQZDVOR-UHFFFAOYSA-N 0 3 193.294 1.581 20 0 ADADHN c1nc2c([nH]1)[C@@H](C1CCCC1)NCC2 83982319 537906348 /nfs/dbraw/zinc/90/63/48/537906348.db2.gz ZPTPZVQGLAAQIQ-SNVBAGLBSA-N 0 3 191.278 1.787 20 0 ADADHN Cn1cnc2c1[C@@H](C(C)(C)C)NCC2 83982813 537906360 /nfs/dbraw/zinc/90/63/60/537906360.db2.gz LCAZEENASKKQQS-JTQLQIEISA-N 0 3 193.294 1.653 20 0 ADADHN CCCc1nc2n(c1CN)CCCC2 83982878 537906635 /nfs/dbraw/zinc/90/66/35/537906635.db2.gz WTUHMAIYCWZXOX-UHFFFAOYSA-N 0 3 193.294 1.631 20 0 ADADHN Cn1cnc2c1[C@H](C1CCC1)NCC2 83982317 537906790 /nfs/dbraw/zinc/90/67/90/537906790.db2.gz FGWFSAIYOXUNGB-JTQLQIEISA-N 0 3 191.278 1.407 20 0 ADADHN Cn1cnc2c1[C@H](C1CC1)NCC2 83963909 537906810 /nfs/dbraw/zinc/90/68/10/537906810.db2.gz WWWMBXIBRBQCPJ-VIFPVBQESA-N 0 3 177.251 1.017 20 0 ADADHN Cn1cnc2c1[C@@H](C1CCC1)NCC2 83982318 537906870 /nfs/dbraw/zinc/90/68/70/537906870.db2.gz FGWFSAIYOXUNGB-SNVBAGLBSA-N 0 3 191.278 1.407 20 0 ADADHN CCC[C@H]1NCCc2ncn(C)c21 83964138 537906954 /nfs/dbraw/zinc/90/69/54/537906954.db2.gz VAEWVROMCLZVIK-MRVPVSSYSA-N 0 3 179.267 1.407 20 0 ADADHN CC[C@@H]1NCCc2ncn(C)c21 83963042 537907079 /nfs/dbraw/zinc/90/70/79/537907079.db2.gz BDGPHLMOCLDHRN-ZETCQYMHSA-N 0 3 165.240 1.017 20 0 ADADHN c1nc2c([nH]1)[C@H](C1CCCC1)NCC2 83982320 537907228 /nfs/dbraw/zinc/90/72/28/537907228.db2.gz ZPTPZVQGLAAQIQ-JTQLQIEISA-N 0 3 191.278 1.787 20 0 ADADHN CC(C)[C@H]1NCCc2ncn(C)c21 83964121 537907569 /nfs/dbraw/zinc/90/75/69/537907569.db2.gz LKKNCLQCUZFACZ-SECBINFHSA-N 0 3 179.267 1.263 20 0 ADADHN CCCC(=O)CNC1CC1 83962140 537907856 /nfs/dbraw/zinc/90/78/56/537907856.db2.gz LZTHJFWGMDIIMK-UHFFFAOYSA-N 0 3 141.214 1.108 20 0 ADADHN Cn1cnc2c1[C@H](C(C)(C)C)NCC2 83982814 537907998 /nfs/dbraw/zinc/90/79/98/537907998.db2.gz LCAZEENASKKQQS-SNVBAGLBSA-N 0 3 193.294 1.653 20 0 ADADHN c1nc2c([nH]1)[C@H](C1CCC1)NCC2 83963912 537908015 /nfs/dbraw/zinc/90/80/15/537908015.db2.gz MDUDLXRHPZXMAQ-VIFPVBQESA-N 0 3 177.251 1.397 20 0 ADADHN CC(C)[C@@H]1NCCc2ncn(C)c21 83964122 537908189 /nfs/dbraw/zinc/90/81/89/537908189.db2.gz LKKNCLQCUZFACZ-VIFPVBQESA-N 0 3 179.267 1.263 20 0 ADADHN CNCC(=O)CC1CCCC1 83962619 537908261 /nfs/dbraw/zinc/90/82/61/537908261.db2.gz ZQRAGJJGQKKPTJ-UHFFFAOYSA-N 0 3 155.241 1.355 20 0 ADADHN CCc1nc2n(c1CN)CCCC2 83964172 537908382 /nfs/dbraw/zinc/90/83/82/537908382.db2.gz LXXNQVWHIBNJIN-UHFFFAOYSA-N 0 3 179.267 1.241 20 0 ADADHN CCn1cc(CNC(C)(C)C)nn1 85273502 537915217 /nfs/dbraw/zinc/91/52/17/537915217.db2.gz HWRPZLKURLTGHD-UHFFFAOYSA-N 0 3 182.271 1.186 20 0 ADADHN CC(C)C=C1CNC1 86882004 537938079 /nfs/dbraw/zinc/93/80/79/537938079.db2.gz SDONYGJFYVSBJQ-UHFFFAOYSA-N 0 3 111.188 1.172 20 0 ADADHN C(=C1CNC1)C1CCC1 86881911 537938672 /nfs/dbraw/zinc/93/86/72/537938672.db2.gz YPDYOQNPIXFVBI-UHFFFAOYSA-N 0 3 123.199 1.316 20 0 ADADHN C(=C1CNC1)C1CCCC1 86882039 537938814 /nfs/dbraw/zinc/93/88/14/537938814.db2.gz QWLXWFMWEDAHHW-UHFFFAOYSA-N 0 3 137.226 1.706 20 0 ADADHN CC1(O)CN(CC2CCCCC2)C1 91390545 537943471 /nfs/dbraw/zinc/94/34/71/537943471.db2.gz GTYOHNOCWHNARJ-UHFFFAOYSA-N 0 3 183.295 1.633 20 0 ADADHN C[C@@H](CN(C)C)NCc1ccncc1 96868794 537946426 /nfs/dbraw/zinc/94/64/26/537946426.db2.gz KHVJZKIFJMVULY-JTQLQIEISA-N 0 3 193.294 1.121 20 0 ADADHN CNC1(C(C)=O)CCCC1 104622765 537953956 /nfs/dbraw/zinc/95/39/56/537953956.db2.gz LEPVLANSRFSGMJ-UHFFFAOYSA-N 0 3 141.214 1.108 20 0 ADADHN Cc1cc(C2CC2)cc(N)n1 104583958 537954713 /nfs/dbraw/zinc/95/47/13/537954713.db2.gz GDTTVQKKORKMFR-UHFFFAOYSA-N 0 3 148.209 1.850 20 0 ADADHN CC(C)N[C@H](CCO)c1ccco1 107129646 537957180 /nfs/dbraw/zinc/95/71/80/537957180.db2.gz YLYIMOJCHSWORH-SECBINFHSA-N 0 3 183.251 1.701 20 0 ADADHN CC(C)(C)[C@@H](CO)NCc1ccco1 107140507 537957451 /nfs/dbraw/zinc/95/74/51/537957451.db2.gz RTOZYISJCPRUCP-SNVBAGLBSA-N 0 3 197.278 1.776 20 0 ADADHN CC(C)(C)[C@H](CO)NCc1ccco1 107140511 537957958 /nfs/dbraw/zinc/95/79/58/537957958.db2.gz RTOZYISJCPRUCP-JTQLQIEISA-N 0 3 197.278 1.776 20 0 ADADHN CNCc1cn(C(C)C)cn1 107325963 537958812 /nfs/dbraw/zinc/95/88/12/537958812.db2.gz JEWPNUGWPDXQTP-UHFFFAOYSA-N 0 3 153.229 1.183 20 0 ADADHN CC(C)CN[C@H](CCO)c1ccco1 107140542 537958983 /nfs/dbraw/zinc/95/89/83/537958983.db2.gz QDMJSWBXQQDPDK-SNVBAGLBSA-N 0 3 197.278 1.949 20 0 ADADHN CC(C)CN[C@@H](CCO)c1ccco1 107140539 537959169 /nfs/dbraw/zinc/95/91/69/537959169.db2.gz QDMJSWBXQQDPDK-JTQLQIEISA-N 0 3 197.278 1.949 20 0 ADADHN CC(C)N[C@@H](CCO)c1ccco1 107129643 537959746 /nfs/dbraw/zinc/95/97/46/537959746.db2.gz YLYIMOJCHSWORH-VIFPVBQESA-N 0 3 183.251 1.701 20 0 ADADHN CNCc1ccnn1C1CCC1 107329059 537962405 /nfs/dbraw/zinc/96/24/05/537962405.db2.gz XIPXOEDNPMIYKB-UHFFFAOYSA-N 0 3 165.240 1.328 20 0 ADADHN CC(C)n1ncc2c1CNCC2 107329107 537963401 /nfs/dbraw/zinc/96/34/01/537963401.db2.gz MPRZXBJTJAAFMO-UHFFFAOYSA-N 0 3 165.240 1.110 20 0 ADADHN C[C@@H]1CCCN(CCF)C1 112941235 537965015 /nfs/dbraw/zinc/96/50/15/537965015.db2.gz UJLODYMYIHRBDZ-MRVPVSSYSA-N 0 3 145.221 1.688 20 0 ADADHN CNCc1cc2c(cc1Cl)OCO2 108375495 537965740 /nfs/dbraw/zinc/96/57/40/537965740.db2.gz MDSFSLYTYNJYKS-UHFFFAOYSA-N 0 3 199.637 1.788 20 0 ADADHN CCN(CC)CCF 114215490 537967511 /nfs/dbraw/zinc/96/75/11/537967511.db2.gz MSPKPLPEMDTDDF-UHFFFAOYSA-N 0 3 119.183 1.298 20 0 ADADHN CC(=O)CN(C)C(C)(C)C 114529368 537967550 /nfs/dbraw/zinc/96/75/50/537967550.db2.gz IPCSJQXBAWWOJL-UHFFFAOYSA-N 0 3 143.230 1.306 20 0 ADADHN CC(C)(C)C(=O)[C@@H](N)C1CC1 114618243 537968337 /nfs/dbraw/zinc/96/83/37/537968337.db2.gz WNOYQYIPQBFHHP-ZETCQYMHSA-N 0 3 155.241 1.339 20 0 ADADHN CC1CCN(CCF)CC1 115750819 537970089 /nfs/dbraw/zinc/97/00/89/537970089.db2.gz DHWXHYCQFFUPSD-UHFFFAOYSA-N 0 3 145.221 1.688 20 0 ADADHN CC(C)(C)NCC(=O)C1CC1 121942703 537975135 /nfs/dbraw/zinc/97/51/35/537975135.db2.gz LXTUOOWDXIATAN-UHFFFAOYSA-N 0 3 155.241 1.354 20 0 ADADHN C[C@@H]1COC[C@@H]([C@@H]2CCCCC2=O)N1 124433187 537977086 /nfs/dbraw/zinc/97/70/86/537977086.db2.gz CPQOVTIDXBMBIJ-UTLUCORTSA-N 0 3 197.278 1.123 20 0 ADADHN CCC(=O)[C@](C)(N)C1CC1 124081438 537977792 /nfs/dbraw/zinc/97/77/92/537977792.db2.gz GEKJKWWIHXAGKJ-MRVPVSSYSA-N 0 3 141.214 1.093 20 0 ADADHN C[C@H]1COC[C@H](CC(=O)C2(C)CC2)N1 124440428 537977846 /nfs/dbraw/zinc/97/78/46/537977846.db2.gz JHIUFKKAWISIIB-IUCAKERBSA-N 0 3 197.278 1.123 20 0 ADADHN CN[C@H](C)c1ccnc(C)n1 125181188 537977921 /nfs/dbraw/zinc/97/79/21/537977921.db2.gz ATYRYIOYYPWHNV-ZCFIWIBFSA-N 0 3 151.213 1.065 20 0 ADADHN CN[C@@H](C)c1ccnc(C)n1 125181414 537978176 /nfs/dbraw/zinc/97/81/76/537978176.db2.gz ATYRYIOYYPWHNV-LURJTMIESA-N 0 3 151.213 1.065 20 0 ADADHN C[C@@H]1COC[C@H]([C@@H]2CCCCC2=O)N1 124432757 537978413 /nfs/dbraw/zinc/97/84/13/537978413.db2.gz CPQOVTIDXBMBIJ-KXUCPTDWSA-N 0 3 197.278 1.123 20 0 ADADHN C[C@H]1COC[C@@H](CC(=O)C2(C)CC2)N1 124440806 537978462 /nfs/dbraw/zinc/97/84/62/537978462.db2.gz JHIUFKKAWISIIB-DTWKUNHWSA-N 0 3 197.278 1.123 20 0 ADADHN C[C@@H]1COC[C@@H](CC(=O)C2(C)CC2)N1 124440598 537978809 /nfs/dbraw/zinc/97/88/09/537978809.db2.gz JHIUFKKAWISIIB-RKDXNWHRSA-N 0 3 197.278 1.123 20 0 ADADHN CCC(=O)[C@@](C)(N)C1CC1 124081615 537979448 /nfs/dbraw/zinc/97/94/48/537979448.db2.gz GEKJKWWIHXAGKJ-QMMMGPOBSA-N 0 3 141.214 1.093 20 0 ADADHN C[C@@H]1COC[C@H](CC(=O)C2(C)CC2)N1 124440231 537979616 /nfs/dbraw/zinc/97/96/16/537979616.db2.gz JHIUFKKAWISIIB-BDAKNGLRSA-N 0 3 197.278 1.123 20 0 ADADHN C[C@H]1COC[C@H](CC(=O)C(C)(C)C)N1 130296129 537982076 /nfs/dbraw/zinc/98/20/76/537982076.db2.gz DDKORDXNLOSKMW-IUCAKERBSA-N 0 3 199.294 1.369 20 0 ADADHN C[C@@H]1COC[C@@H](CC(=O)C(C)(C)C)N1 130296324 537982216 /nfs/dbraw/zinc/98/22/16/537982216.db2.gz DDKORDXNLOSKMW-RKDXNWHRSA-N 0 3 199.294 1.369 20 0 ADADHN C[C@H]1COC[C@@H](CC(=O)C(C)(C)C)N1 130296561 537983770 /nfs/dbraw/zinc/98/37/70/537983770.db2.gz DDKORDXNLOSKMW-DTWKUNHWSA-N 0 3 199.294 1.369 20 0 ADADHN C[C@@H]1COC[C@H](CC(=O)C(C)(C)C)N1 130295907 537985223 /nfs/dbraw/zinc/98/52/23/537985223.db2.gz DDKORDXNLOSKMW-BDAKNGLRSA-N 0 3 199.294 1.369 20 0 ADADHN C1CC[C@H](OCCN2CCCC2)OC1 138880440 537990136 /nfs/dbraw/zinc/99/01/36/537990136.db2.gz QFCDTHMBBGYGCS-NSHDSACASA-N 0 3 199.294 1.625 20 0 ADADHN C1CC[C@@H](OCCN2CCCC2)OC1 138880322 537991195 /nfs/dbraw/zinc/99/11/95/537991195.db2.gz QFCDTHMBBGYGCS-LLVKDONJSA-N 0 3 199.294 1.625 20 0 ADADHN CCCCCN1CCN(CC)CC1 138852833 537991337 /nfs/dbraw/zinc/99/13/37/537991337.db2.gz VCEIBFLQWFSSJR-UHFFFAOYSA-N 0 3 184.327 1.814 20 0 ADADHN CNCC(=O)N1CCC(C(C)C)CC1 141421008 537992690 /nfs/dbraw/zinc/99/26/90/537992690.db2.gz WSXNMRRBXXWQPU-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN CCCCCN1CCCC[C@H]1C(N)=O 141803111 537993180 /nfs/dbraw/zinc/99/31/80/537993180.db2.gz DEXJIXQCSZJVDT-JTQLQIEISA-N 0 3 198.310 1.516 20 0 ADADHN CCN1CCN(CCCCF)CC1 142189740 537993199 /nfs/dbraw/zinc/99/31/99/537993199.db2.gz WZIPBPMOJVTWGG-UHFFFAOYSA-N 0 3 188.290 1.374 20 0 ADADHN Cc1ccnc(CN2CCCC2)c1 142154439 537994130 /nfs/dbraw/zinc/99/41/30/537994130.db2.gz KTXNGQNKNIBIEJ-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CCCCCN1CCCC[C@@H]1C(N)=O 141802910 537994277 /nfs/dbraw/zinc/99/42/77/537994277.db2.gz DEXJIXQCSZJVDT-SNVBAGLBSA-N 0 3 198.310 1.516 20 0 ADADHN CN(C)CCSc1ccncc1 140470378 537994405 /nfs/dbraw/zinc/99/44/05/537994405.db2.gz RYMWLPTYZAVFEC-UHFFFAOYSA-N 0 3 182.292 1.735 20 0 ADADHN COCCN(C)Cc1cccc(F)c1 146068397 537998875 /nfs/dbraw/zinc/99/88/75/537998875.db2.gz NZJXPXVUCNYRKK-UHFFFAOYSA-N 0 3 197.253 1.904 20 0 ADADHN CCCCC(=O)N(C)CCN(C)C 146045355 537999425 /nfs/dbraw/zinc/99/94/25/537999425.db2.gz KBWWTWBTJRKZNI-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN CCC(=O)[C@H]1CCCCCN1 146300092 537999591 /nfs/dbraw/zinc/99/95/91/537999591.db2.gz JMEDQAAIYPCYAT-MRVPVSSYSA-N 0 3 155.241 1.498 20 0 ADADHN CCC(=O)[C@@H]1CCCCCN1 146299888 538000495 /nfs/dbraw/zinc/00/04/95/538000495.db2.gz JMEDQAAIYPCYAT-QMMMGPOBSA-N 0 3 155.241 1.498 20 0 ADADHN CC[C@H]1CN(CCOC)CCCO1 145445656 538000441 /nfs/dbraw/zinc/00/04/41/538000441.db2.gz FZMGKNALSSLKLQ-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@@H]1CN(CCOC)CCCO1 145445453 538001637 /nfs/dbraw/zinc/00/16/37/538001637.db2.gz FZMGKNALSSLKLQ-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CC(C)N(C)CCF 147959177 538003199 /nfs/dbraw/zinc/00/31/99/538003199.db2.gz OWQCDWGGEYLPHM-UHFFFAOYSA-N 0 3 119.183 1.296 20 0 ADADHN CCCN1CCN(CC)[C@@H](C)C1 148148650 538005752 /nfs/dbraw/zinc/00/57/52/538005752.db2.gz USGJSYWDVXHWOQ-JTQLQIEISA-N 0 3 170.300 1.422 20 0 ADADHN CCN(C)Cc1ccc(O)c(OC)c1 149458025 538006866 /nfs/dbraw/zinc/00/68/66/538006866.db2.gz QBOKMSIBGNHTQE-UHFFFAOYSA-N 0 3 195.262 1.853 20 0 ADADHN CCN(C)Cc1ccc(OC)c(O)c1 149464741 538007548 /nfs/dbraw/zinc/00/75/48/538007548.db2.gz MOTIUWIWVCTOBU-UHFFFAOYSA-N 0 3 195.262 1.853 20 0 ADADHN CCCN(C)CCF 148968309 538010875 /nfs/dbraw/zinc/01/08/75/538010875.db2.gz WIJHKPIBAVVEKI-UHFFFAOYSA-N 0 3 119.183 1.298 20 0 ADADHN C[C@H](NCc1ncnn1C)C1CCC1 157088702 538011987 /nfs/dbraw/zinc/01/19/87/538011987.db2.gz JMOJKROPJIXIPD-QMMMGPOBSA-N 0 3 194.282 1.093 20 0 ADADHN CC(C)CCN1CCc2c[nH]nc2C1 150066056 538014462 /nfs/dbraw/zinc/01/44/62/538014462.db2.gz ZGELKZOAKDBQKZ-UHFFFAOYSA-N 0 3 193.294 1.814 20 0 ADADHN C[C@@H](NCc1ncnn1C)C1CCC1 157088853 538014637 /nfs/dbraw/zinc/01/46/37/538014637.db2.gz JMOJKROPJIXIPD-MRVPVSSYSA-N 0 3 194.282 1.093 20 0 ADADHN OC1(CNCc2cncs2)CCC1 157462562 538021236 /nfs/dbraw/zinc/02/12/36/538021236.db2.gz VFLDLSKIBSMLMW-UHFFFAOYSA-N 0 3 198.291 1.148 20 0 ADADHN FCCCNCc1cncs1 157489612 538021483 /nfs/dbraw/zinc/02/14/83/538021483.db2.gz OMYOSOBOGINNNS-UHFFFAOYSA-N 0 3 174.244 1.592 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1cncs1 157447488 538022579 /nfs/dbraw/zinc/02/25/79/538022579.db2.gz SIPATBFHAFZKID-SFYZADRCSA-N 0 3 182.292 1.889 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1cncs1 157447234 538023355 /nfs/dbraw/zinc/02/33/55/538023355.db2.gz SIPATBFHAFZKID-HTQZYQBOSA-N 0 3 182.292 1.889 20 0 ADADHN C[C@H]1C[C@H]1CNCc1cncs1 157447623 538023406 /nfs/dbraw/zinc/02/34/06/538023406.db2.gz SIPATBFHAFZKID-YUMQZZPRSA-N 0 3 182.292 1.889 20 0 ADADHN C[C@H](NC1CC=CC1)c1cnccn1 157338313 538023610 /nfs/dbraw/zinc/02/36/10/538023610.db2.gz ATMZPUSBCPJWMP-VIFPVBQESA-N 0 3 189.262 1.846 20 0 ADADHN Cc1ccoc1CNC1(CO)CCC1 157490408 538023877 /nfs/dbraw/zinc/02/38/77/538023877.db2.gz UAVWLILREUUQIP-UHFFFAOYSA-N 0 3 195.262 1.593 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1cncs1 157447368 538024206 /nfs/dbraw/zinc/02/42/06/538024206.db2.gz SIPATBFHAFZKID-JGVFFNPUSA-N 0 3 182.292 1.889 20 0 ADADHN C[C@@H](NC1CC=CC1)c1cnccn1 157338458 538024754 /nfs/dbraw/zinc/02/47/54/538024754.db2.gz ATMZPUSBCPJWMP-SECBINFHSA-N 0 3 189.262 1.846 20 0 ADADHN Cc1cccnc1CN(C)[C@H](C)CO 159208376 538030608 /nfs/dbraw/zinc/03/06/08/538030608.db2.gz XVTZIASJSMRHGF-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN C1=CCC(NCc2cncs2)C1 157488450 538024967 /nfs/dbraw/zinc/02/49/67/538024967.db2.gz IKIOPZUTWSWGOE-UHFFFAOYSA-N 0 3 180.276 1.951 20 0 ADADHN OCC1(NCc2ccccn2)CCC1 157505323 538025462 /nfs/dbraw/zinc/02/54/62/538025462.db2.gz UMXREDFKNJATBC-UHFFFAOYSA-N 0 3 192.262 1.086 20 0 ADADHN Cn1cccc1CNC1(CO)CCC1 157495651 538025500 /nfs/dbraw/zinc/02/55/00/538025500.db2.gz TYBRLBDCAYNUKO-UHFFFAOYSA-N 0 3 194.278 1.030 20 0 ADADHN Cc1ccc(CNC2(CO)CCC2)o1 157505475 538025519 /nfs/dbraw/zinc/02/55/19/538025519.db2.gz MHXJNXOYNUKZDT-UHFFFAOYSA-N 0 3 195.262 1.593 20 0 ADADHN OCC1(NCc2ccsc2)CCC1 157500124 538025581 /nfs/dbraw/zinc/02/55/81/538025581.db2.gz NEUVTTNFCNGEJC-UHFFFAOYSA-N 0 3 197.303 1.753 20 0 ADADHN OCC1(NCc2cccnc2)CCC1 157501070 538025600 /nfs/dbraw/zinc/02/56/00/538025600.db2.gz UFKSBQVDJNXLIM-UHFFFAOYSA-N 0 3 192.262 1.086 20 0 ADADHN Cc1ccc(CN(C)CCO)c(C)c1 157589617 538025678 /nfs/dbraw/zinc/02/56/78/538025678.db2.gz IGGRIXBJSZNLKB-UHFFFAOYSA-N 0 3 193.290 1.728 20 0 ADADHN OCC1(NCc2ccncc2)CCC1 157501532 538025751 /nfs/dbraw/zinc/02/57/51/538025751.db2.gz OKUBVLOUYZKBHM-UHFFFAOYSA-N 0 3 192.262 1.086 20 0 ADADHN OCC1(NCc2ccco2)CCC1 157494605 538025797 /nfs/dbraw/zinc/02/57/97/538025797.db2.gz KCQMFFWVBOXGNT-UHFFFAOYSA-N 0 3 181.235 1.284 20 0 ADADHN Cc1ccc(CN(C)CCO)s1 157590590 538025900 /nfs/dbraw/zinc/02/59/00/538025900.db2.gz LKDXYNMTAXZYMX-UHFFFAOYSA-N 0 3 185.292 1.481 20 0 ADADHN CNC(C)(C)C(=O)CC1CC1 157953473 538026391 /nfs/dbraw/zinc/02/63/91/538026391.db2.gz DEVZXVXNKXLTIZ-UHFFFAOYSA-N 0 3 155.241 1.354 20 0 ADADHN C[C@@H](CN(C)C)NCc1ccsc1 159067949 538027685 /nfs/dbraw/zinc/02/76/85/538027685.db2.gz OFFDNUGAIZIALX-VIFPVBQESA-N 0 3 198.335 1.788 20 0 ADADHN CC(C)=CCN(C)[C@H](C)CO 159133771 538027842 /nfs/dbraw/zinc/02/78/42/538027842.db2.gz SMLUIGWNZQCPSM-SECBINFHSA-N 0 3 157.257 1.265 20 0 ADADHN C[C@@H](CN(C)C)NCc1cccnc1 159082642 538028102 /nfs/dbraw/zinc/02/81/02/538028102.db2.gz FGBBGDLQJCORKF-JTQLQIEISA-N 0 3 193.294 1.121 20 0 ADADHN Cc1ccc(CN(C)CCO)cc1F 159166806 538029477 /nfs/dbraw/zinc/02/94/77/538029477.db2.gz AUQWBNWKHTYTEO-UHFFFAOYSA-N 0 3 197.253 1.558 20 0 ADADHN Cc1cc(CN(C)CCO)ccc1F 159163567 538030171 /nfs/dbraw/zinc/03/01/71/538030171.db2.gz NVNLRTRDGVLROU-UHFFFAOYSA-N 0 3 197.253 1.558 20 0 ADADHN CC(C)CNCc1ccc(F)cn1 159124618 538030489 /nfs/dbraw/zinc/03/04/89/538030489.db2.gz OWOUEONXPPIAPN-UHFFFAOYSA-N 0 3 182.242 1.966 20 0 ADADHN Cc1cccc(CN(C)CCO)c1C 159163228 538030890 /nfs/dbraw/zinc/03/08/90/538030890.db2.gz OSUNMCDKZURVRN-UHFFFAOYSA-N 0 3 193.290 1.728 20 0 ADADHN C[C@H](CO)N(C)CCC(F)(F)F 159136188 538031031 /nfs/dbraw/zinc/03/10/31/538031031.db2.gz JXTVQVKWLKWMGM-ZCFIWIBFSA-N 0 3 185.189 1.251 20 0 ADADHN C[C@@H](CN(C)C)NCc1cscn1 159073644 538031198 /nfs/dbraw/zinc/03/11/98/538031198.db2.gz YIMPPPYQZISFQA-QMMMGPOBSA-N 0 3 199.323 1.183 20 0 ADADHN C[C@H](CO)N(C)CCOC(C)(C)C 159148704 538031343 /nfs/dbraw/zinc/03/13/43/538031343.db2.gz ITMQCMVDQXECND-SECBINFHSA-N 0 3 189.299 1.114 20 0 ADADHN CCCCOCCN(C)[C@H](C)CO 159148419 538031514 /nfs/dbraw/zinc/03/15/14/538031514.db2.gz WKMRTNSMHGJNHD-SNVBAGLBSA-N 0 3 189.299 1.116 20 0 ADADHN C[C@@H](CN(C)C)NCc1ccccn1 159072501 538032118 /nfs/dbraw/zinc/03/21/18/538032118.db2.gz IDFCNJBYONESSO-JTQLQIEISA-N 0 3 193.294 1.121 20 0 ADADHN Cc1cc(CNCCO)ccc1Cl 159529659 538034295 /nfs/dbraw/zinc/03/42/95/538034295.db2.gz KTQQSARPQFPEDS-UHFFFAOYSA-N 0 3 199.681 1.730 20 0 ADADHN CCC(CC)CNCc1ncnn1C 159283015 538037170 /nfs/dbraw/zinc/03/71/70/538037170.db2.gz WKWVRAABIPFPNK-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN CC1(NCc2ncc[nH]2)CCOCC1 159321261 538037320 /nfs/dbraw/zinc/03/73/20/538037320.db2.gz VHLPYFUNMVYTIO-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN C[C@H](NCc1cnnn1C)C1CCC1 160181172 538037922 /nfs/dbraw/zinc/03/79/22/538037922.db2.gz VHKFUSXFSBIHIG-QMMMGPOBSA-N 0 3 282.340 1.462 20 0 ADADHN Cn1cncc1CNC1(C)CCC1 160010252 538038830 /nfs/dbraw/zinc/03/88/30/538038830.db2.gz ZFVOPWYUJBGBEA-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN Cc1nn(C)cc1CNC1(C)CCC1 160171039 538039259 /nfs/dbraw/zinc/03/92/59/538039259.db2.gz DUIGMBOVOSVWBG-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN Cn1cc(CNC2(C)CCC2)cn1 159995829 538040233 /nfs/dbraw/zinc/04/02/33/538040233.db2.gz MFXZELIKHGGKNU-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN Cc1c(CNC2CC=CC2)cnn1C 160166985 538040769 /nfs/dbraw/zinc/04/07/69/538040769.db2.gz VDAWWRHRTGZZHX-UHFFFAOYSA-N 0 3 191.278 1.537 20 0 ADADHN Cc1n[nH]cc1CNC1(C)CCC1 160013132 538040825 /nfs/dbraw/zinc/04/08/25/538040825.db2.gz MEAUJCHUYVVREC-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN CC1(NCc2ncc[nH]2)CCC1 159997311 538041392 /nfs/dbraw/zinc/04/13/92/538041392.db2.gz SSPFSTKMEMZUOZ-UHFFFAOYSA-N 0 3 165.240 1.442 20 0 ADADHN Cc1nn(C)cc1CNC1CC=CC1 160166702 538041647 /nfs/dbraw/zinc/04/16/47/538041647.db2.gz JVFBEKNQXPPRTM-UHFFFAOYSA-N 0 3 191.278 1.537 20 0 ADADHN CC1(NCc2cc[nH]n2)CCC1 160011703 538042595 /nfs/dbraw/zinc/04/25/95/538042595.db2.gz GNIHPHSOLFYRQA-UHFFFAOYSA-N 0 3 165.240 1.442 20 0 ADADHN Cn1nccc1CNC1(C)CCC1 160012983 538042956 /nfs/dbraw/zinc/04/29/56/538042956.db2.gz LWEAPIYTUFYSCS-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CC[C@H](C(N)=O)N1CC[C@H](C)[C@H](C)C1 160982258 538052788 /nfs/dbraw/zinc/05/27/88/538052788.db2.gz HQXRIBLTDWAXAW-IVZWLZJFSA-N 0 3 198.310 1.228 20 0 ADADHN OCCNCc1sccc1Cl 161139182 538061393 /nfs/dbraw/zinc/06/13/93/538061393.db2.gz HXUIJLOJIACVGY-UHFFFAOYSA-N 0 3 191.683 1.483 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1c[nH]nc1C 161761717 538064079 /nfs/dbraw/zinc/06/40/79/538064079.db2.gz QCOVYTFNESGOOW-VXNVDRBHSA-N 0 3 197.282 1.231 20 0 ADADHN CO[C@@H](C)[C@H](C)NCc1c[nH]nc1C 161761864 538064584 /nfs/dbraw/zinc/06/45/84/538064584.db2.gz QCOVYTFNESGOOW-CBAPKCEASA-N 0 3 197.282 1.231 20 0 ADADHN C[C@H](N[C@H]1CCOC1)c1cncs1 161952344 538065281 /nfs/dbraw/zinc/06/52/81/538065281.db2.gz VAPABCIOUGZYPM-YUMQZZPRSA-N 0 3 198.291 1.583 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1c[nH]nc1C 161762002 538065505 /nfs/dbraw/zinc/06/55/05/538065505.db2.gz QCOVYTFNESGOOW-APPZFPTMSA-N 0 3 197.282 1.231 20 0 ADADHN CO[C@H](C)[C@H](C)NCc1c[nH]nc1C 161761593 538066020 /nfs/dbraw/zinc/06/60/20/538066020.db2.gz QCOVYTFNESGOOW-IONNQARKSA-N 0 3 197.282 1.231 20 0 ADADHN C[C@@H](N[C@H]1CCOC1)c1cncs1 161952432 538066886 /nfs/dbraw/zinc/06/68/86/538066886.db2.gz VAPABCIOUGZYPM-SFYZADRCSA-N 0 3 198.291 1.583 20 0 ADADHN C[C@H](NC1CC=CC1)c1nccn1C 162311867 538069208 /nfs/dbraw/zinc/06/92/08/538069208.db2.gz UTLHZXSCGXUQBH-VIFPVBQESA-N 0 3 191.278 1.789 20 0 ADADHN C[C@@H](NC1CC=CC1)c1nccn1C 162311960 538071546 /nfs/dbraw/zinc/07/15/46/538071546.db2.gz UTLHZXSCGXUQBH-SECBINFHSA-N 0 3 191.278 1.789 20 0 ADADHN Cc1ccoc1CN[C@@H](C)CN(C)C 162749817 538073071 /nfs/dbraw/zinc/07/30/71/538073071.db2.gz NKXYEMWJBBTLFS-JTQLQIEISA-N 0 3 196.294 1.628 20 0 ADADHN CCn1nccc1CNC1CC=CC1 162712635 538073517 /nfs/dbraw/zinc/07/35/17/538073517.db2.gz INRPABNIADCAOC-UHFFFAOYSA-N 0 3 191.278 1.711 20 0 ADADHN CCn1nccc1CNC1CC(C)C1 162710384 538073586 /nfs/dbraw/zinc/07/35/86/538073586.db2.gz VOHNQUMJJQVTCQ-UHFFFAOYSA-N 0 3 193.294 1.791 20 0 ADADHN CCOC1CC(NCc2ccoc2)C1 162459311 538073752 /nfs/dbraw/zinc/07/37/52/538073752.db2.gz XWCJYAJJPSQJCV-UHFFFAOYSA-N 0 3 195.262 1.937 20 0 ADADHN CCc1ccccc1CN(C)CCO 162894481 538078378 /nfs/dbraw/zinc/07/83/78/538078378.db2.gz TVUNGDLKMNAQQE-UHFFFAOYSA-N 0 3 193.290 1.673 20 0 ADADHN CCOC1CC(NCc2ccco2)C1 162836874 538078899 /nfs/dbraw/zinc/07/88/99/538078899.db2.gz OXAKZMNAJSAAIJ-UHFFFAOYSA-N 0 3 195.262 1.937 20 0 ADADHN CCn1nccc1CNC1(C)CCC1 162819371 538079365 /nfs/dbraw/zinc/07/93/65/538079365.db2.gz AZCOIRPERQHRDQ-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CCN[C@@H](COC)c1ccc(C)o1 163656600 538082876 /nfs/dbraw/zinc/08/28/76/538082876.db2.gz ZPWYGCFRPHIGGY-VIFPVBQESA-N 0 3 183.251 1.885 20 0 ADADHN CCN[C@H](COC)c1ccc(C)o1 163656715 538134024 /nfs/dbraw/zinc/13/40/24/538134024.db2.gz ZPWYGCFRPHIGGY-SECBINFHSA-N 0 3 183.251 1.885 20 0 ADADHN OCC1(NCc2ccc(O)cc2)CC1 163473125 538134447 /nfs/dbraw/zinc/13/44/47/538134447.db2.gz OQJJRYRRJNZWFM-UHFFFAOYSA-N 0 3 193.246 1.007 20 0 ADADHN Cc1ccoc1CN[C@H](C)C[C@H](C)O 163957642 538136109 /nfs/dbraw/zinc/13/61/09/538136109.db2.gz YGAAZCZZCSHSBG-ZJUUUORDSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@@H](CO)NCc1cccnc1C 163848133 538136352 /nfs/dbraw/zinc/13/63/52/538136352.db2.gz FGDAYCIRZDUJAY-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN Cc1ccoc1CN[C@@H](C)C[C@@H](C)O 163957358 538137215 /nfs/dbraw/zinc/13/72/15/538137215.db2.gz YGAAZCZZCSHSBG-VHSXEESVSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1ccoc1CN[C@@H](C)C[C@H](C)O 163957546 538137457 /nfs/dbraw/zinc/13/74/57/538137457.db2.gz YGAAZCZZCSHSBG-UWVGGRQHSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1ccoc1CN[C@H](C)C[C@@H](C)O 163957449 538138735 /nfs/dbraw/zinc/13/87/35/538138735.db2.gz YGAAZCZZCSHSBG-NXEZZACHSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1ncccc1CNCC[C@H](C)O 164071597 538139639 /nfs/dbraw/zinc/13/96/39/538139639.db2.gz YNQAFUGJMLMHKQ-VIFPVBQESA-N 0 3 194.278 1.251 20 0 ADADHN C[C@H](O)C[C@H](C)NCc1ccccn1 164464508 538139843 /nfs/dbraw/zinc/13/98/43/538139843.db2.gz RGSQKSZKFMGONZ-UWVGGRQHSA-N 0 3 194.278 1.331 20 0 ADADHN C[C@@H](O)C[C@@H](C)NCc1ccccn1 164464341 538140097 /nfs/dbraw/zinc/14/00/97/538140097.db2.gz RGSQKSZKFMGONZ-NXEZZACHSA-N 0 3 194.278 1.331 20 0 ADADHN C[C@@H](C[C@@H](C)O)NCc1ccccn1 164464225 538140119 /nfs/dbraw/zinc/14/01/19/538140119.db2.gz RGSQKSZKFMGONZ-VHSXEESVSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](NCCO)c1cccc(F)c1 164074121 538140211 /nfs/dbraw/zinc/14/02/11/538140211.db2.gz IOKFIHCPUZGCCW-NSHDSACASA-N 0 3 197.253 1.859 20 0 ADADHN C[C@@H](O)C[C@@H](C)NCc1ccncc1 164456805 538140354 /nfs/dbraw/zinc/14/03/54/538140354.db2.gz CGAOMFXPVHLWOF-NXEZZACHSA-N 0 3 194.278 1.331 20 0 ADADHN C[C@H](O)C[C@@H](C)NCc1ccncc1 164457041 538141454 /nfs/dbraw/zinc/14/14/54/538141454.db2.gz CGAOMFXPVHLWOF-ZJUUUORDSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@@H](NCCO)c1cccc(F)c1 164074226 538141497 /nfs/dbraw/zinc/14/14/97/538141497.db2.gz IOKFIHCPUZGCCW-LLVKDONJSA-N 0 3 197.253 1.859 20 0 ADADHN C[C@H](O)C[C@@H](C)NCc1ccccn1 164464640 538141632 /nfs/dbraw/zinc/14/16/32/538141632.db2.gz RGSQKSZKFMGONZ-ZJUUUORDSA-N 0 3 194.278 1.331 20 0 ADADHN C[C@H](O)C[C@H](C)NCc1ccncc1 164456918 538141873 /nfs/dbraw/zinc/14/18/73/538141873.db2.gz CGAOMFXPVHLWOF-UWVGGRQHSA-N 0 3 194.278 1.331 20 0 ADADHN C[C@@H](C[C@@H](C)O)NCc1ccncc1 164456686 538141898 /nfs/dbraw/zinc/14/18/98/538141898.db2.gz CGAOMFXPVHLWOF-VHSXEESVSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](O)CN[C@H](C)c1ccoc1 164573371 538143614 /nfs/dbraw/zinc/14/36/14/538143614.db2.gz BZIZFUOSUXOJJM-SCZZXKLOSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@H](O)CN[C@@H](C)c1ccoc1 164573144 538143767 /nfs/dbraw/zinc/14/37/67/538143767.db2.gz BZIZFUOSUXOJJM-WPRPVWTQSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](O)C[C@@H](C)NCc1ccsc1 164567257 538144121 /nfs/dbraw/zinc/14/41/21/538144121.db2.gz FDQQULZAXCDIGG-BDAKNGLRSA-N 0 3 199.319 1.997 20 0 ADADHN C[C@@H](C[C@@H](C)O)NCc1ccsc1 164566902 538144371 /nfs/dbraw/zinc/14/43/71/538144371.db2.gz FDQQULZAXCDIGG-DTWKUNHWSA-N 0 3 199.319 1.997 20 0 ADADHN C[C@@H](O)C[C@@H](C)NCc1ccsc1 164567018 538145431 /nfs/dbraw/zinc/14/54/31/538145431.db2.gz FDQQULZAXCDIGG-RKDXNWHRSA-N 0 3 199.319 1.997 20 0 ADADHN C[C@H](O)C[C@H](C)NCc1ccsc1 164567138 538145777 /nfs/dbraw/zinc/14/57/77/538145777.db2.gz FDQQULZAXCDIGG-IUCAKERBSA-N 0 3 199.319 1.997 20 0 ADADHN Cc1ccoc1CN[C@H]1CCC[C@@H]1O 164610947 538147776 /nfs/dbraw/zinc/14/77/76/538147776.db2.gz SGLQQQDXWVSSOA-UWVGGRQHSA-N 0 3 195.262 1.591 20 0 ADADHN CCC(=O)N(C)CC1(N(C)C)CCC1 165273248 538148910 /nfs/dbraw/zinc/14/89/10/538148910.db2.gz MPXWIPXXXGVVSI-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCC(=O)NCC1(N(C)C)CCC1 165272476 538148963 /nfs/dbraw/zinc/14/89/63/538148963.db2.gz RDMXGYXFAOOJOR-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCn1cnnc1CN[C@@H](C)C1CC1 165259143 538151042 /nfs/dbraw/zinc/15/10/42/538151042.db2.gz WDNWCAYKRPQMRY-QMMMGPOBSA-N 0 3 194.282 1.186 20 0 ADADHN CC(C)C(=O)NCC1(N(C)C)CCC1 165272729 538151326 /nfs/dbraw/zinc/15/13/26/538151326.db2.gz SYUQUQUBAVGESZ-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCn1cnnc1CN[C@H](C)C1CC1 165259259 538151879 /nfs/dbraw/zinc/15/18/79/538151879.db2.gz WDNWCAYKRPQMRY-MRVPVSSYSA-N 0 3 194.282 1.186 20 0 ADADHN CCC1(CNCc2cc[nH]n2)CC1 165456590 538153954 /nfs/dbraw/zinc/15/39/54/538153954.db2.gz RKQNTPRTXFHQGL-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN Cn1ccc(CNCc2cc[nH]c2)c1 165689360 538154239 /nfs/dbraw/zinc/15/42/39/538154239.db2.gz BDMLZELFXOHLGJ-UHFFFAOYSA-N 0 3 189.262 1.643 20 0 ADADHN CC(C)C1(CNCc2cc[nH]n2)CC1 165599790 538154728 /nfs/dbraw/zinc/15/47/28/538154728.db2.gz UNWMXZYRLBPOOI-UHFFFAOYSA-N 0 3 193.294 1.936 20 0 ADADHN CCC1(CNCc2ccnn2C)CC1 165455086 538154754 /nfs/dbraw/zinc/15/47/54/538154754.db2.gz YJDMVOMPIBWTCY-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN CCC1(CNCc2ccn(C)n2)CC1 165463452 538155157 /nfs/dbraw/zinc/15/51/57/538155157.db2.gz OJJSRYUWZKSAJS-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN c1cc(CNCCOCC2CC2)c[nH]1 165669250 538155414 /nfs/dbraw/zinc/15/54/14/538155414.db2.gz RMMPVTKJYHGWPO-UHFFFAOYSA-N 0 3 194.278 1.531 20 0 ADADHN CCC1(CNCc2ncc[nH]2)CC1 165469893 538155452 /nfs/dbraw/zinc/15/54/52/538155452.db2.gz FIEBOQYSSIRKPZ-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN CCC1(CNCc2cnnn2C)CC1 165510225 538155671 /nfs/dbraw/zinc/15/56/71/538155671.db2.gz SQLXWGYYZCVTHC-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN CC[C@](C)(CCO)NCc1cc[nH]n1 166038200 538156687 /nfs/dbraw/zinc/15/66/87/538156687.db2.gz FNPDUQSRDGEQTF-SNVBAGLBSA-N 0 3 197.282 1.050 20 0 ADADHN C[C@@H](NCCCO)c1cncc(F)c1 166261136 538157146 /nfs/dbraw/zinc/15/71/46/538157146.db2.gz NXZVZYVJUZZSLQ-MRVPVSSYSA-N 0 3 198.241 1.254 20 0 ADADHN CC[C@](C)(CCO)NCc1ncc[nH]1 166039484 538157166 /nfs/dbraw/zinc/15/71/66/538157166.db2.gz FHQGZVCLVYBXJT-SNVBAGLBSA-N 0 3 197.282 1.050 20 0 ADADHN CC[C@](C)(CCO)NCc1ccco1 166043819 538157549 /nfs/dbraw/zinc/15/75/49/538157549.db2.gz YZKYPMCTUITQPK-LLVKDONJSA-N 0 3 197.278 1.920 20 0 ADADHN CC[C@@](C)(CCO)NCc1ccco1 166043700 538157878 /nfs/dbraw/zinc/15/78/78/538157878.db2.gz YZKYPMCTUITQPK-NSHDSACASA-N 0 3 197.278 1.920 20 0 ADADHN CC[C@@H](NC1CC1)c1cnn(C)c1 166189288 538157951 /nfs/dbraw/zinc/15/79/51/538157951.db2.gz XHKLPUKQCBIUQZ-SNVBAGLBSA-N 0 3 179.267 1.623 20 0 ADADHN CC[C@H](NC1CC1)c1cnn(C)c1 166189176 538158700 /nfs/dbraw/zinc/15/87/00/538158700.db2.gz XHKLPUKQCBIUQZ-JTQLQIEISA-N 0 3 179.267 1.623 20 0 ADADHN CCc1ccc([C@H](C)NCCCO)o1 166266467 538159102 /nfs/dbraw/zinc/15/91/02/538159102.db2.gz JBYCFAWNIAZLKH-VIFPVBQESA-N 0 3 197.278 1.875 20 0 ADADHN CC[C@@](C)(CCO)NCc1ncc[nH]1 166039355 538159262 /nfs/dbraw/zinc/15/92/62/538159262.db2.gz FHQGZVCLVYBXJT-JTQLQIEISA-N 0 3 197.282 1.050 20 0 ADADHN CC[C@@](C)(CCO)NCc1cc[nH]n1 166038078 538159461 /nfs/dbraw/zinc/15/94/61/538159461.db2.gz FNPDUQSRDGEQTF-JTQLQIEISA-N 0 3 197.282 1.050 20 0 ADADHN CCc1ccc([C@@H](C)NCCCO)o1 166266334 538159497 /nfs/dbraw/zinc/15/94/97/538159497.db2.gz JBYCFAWNIAZLKH-SECBINFHSA-N 0 3 197.278 1.875 20 0 ADADHN C[C@H](NCCCO)c1cncc(F)c1 166261019 538159561 /nfs/dbraw/zinc/15/95/61/538159561.db2.gz NXZVZYVJUZZSLQ-QMMMGPOBSA-N 0 3 198.241 1.254 20 0 ADADHN CCC[C@H](C)NCc1nncn1CC 166621518 538159867 /nfs/dbraw/zinc/15/98/67/538159867.db2.gz YRIPFARJSQLOSI-VIFPVBQESA-N 0 3 196.298 1.576 20 0 ADADHN CC[C@@H](NCCOC)c1cnn(C)c1 166308915 538160029 /nfs/dbraw/zinc/16/00/29/538160029.db2.gz DBDZSBOOQDJJNV-SNVBAGLBSA-N 0 3 197.282 1.107 20 0 ADADHN CCn1cnnc1CN[C@@H](C)C(C)C 166620849 538160009 /nfs/dbraw/zinc/16/00/09/538160009.db2.gz JKMHDYDUTJCGGO-VIFPVBQESA-N 0 3 196.298 1.432 20 0 ADADHN CC[C@H](NCCOC)c1cnn(C)c1 166308799 538160661 /nfs/dbraw/zinc/16/06/61/538160661.db2.gz DBDZSBOOQDJJNV-JTQLQIEISA-N 0 3 197.282 1.107 20 0 ADADHN OCCN[C@@H]1CCc2ccc(F)cc21 166488744 538161526 /nfs/dbraw/zinc/16/15/26/538161526.db2.gz ZDJWWLCOJQEQOT-LLVKDONJSA-N 0 3 195.237 1.395 20 0 ADADHN CCc1ccc([C@@H](C)NCCO)o1 166500685 538161642 /nfs/dbraw/zinc/16/16/42/538161642.db2.gz FVRYDNCRDJWNHS-MRVPVSSYSA-N 0 3 183.251 1.485 20 0 ADADHN CN(Cc1ccc(CO)cc1)C1CC1 166281078 538161881 /nfs/dbraw/zinc/16/18/81/538161881.db2.gz QNQFSXSBHFJTGW-UHFFFAOYSA-N 0 3 191.274 1.773 20 0 ADADHN OCCN[C@H]1CCc2ccc(F)cc21 166488860 538162131 /nfs/dbraw/zinc/16/21/31/538162131.db2.gz ZDJWWLCOJQEQOT-NSHDSACASA-N 0 3 195.237 1.395 20 0 ADADHN CC1CC(NC[C@@H](O)C(F)(F)F)C1 166622498 538162185 /nfs/dbraw/zinc/16/21/85/538162185.db2.gz PBGCBEFLWJRGJJ-KPGICGJXSA-N 0 3 197.200 1.298 20 0 ADADHN CCc1ccc([C@H](C)NCCO)o1 166500799 538162312 /nfs/dbraw/zinc/16/23/12/538162312.db2.gz FVRYDNCRDJWNHS-QMMMGPOBSA-N 0 3 183.251 1.485 20 0 ADADHN CC(C)n1cc([C@H](C)NCCO)cn1 166495784 538162374 /nfs/dbraw/zinc/16/23/74/538162374.db2.gz NJESFZANWATTED-VIFPVBQESA-N 0 3 197.282 1.107 20 0 ADADHN CCC[C@@H](C)NCc1nncn1CC 166621404 538162689 /nfs/dbraw/zinc/16/26/89/538162689.db2.gz YRIPFARJSQLOSI-SECBINFHSA-N 0 3 196.298 1.576 20 0 ADADHN COCCN[C@H](C)c1cncc(F)c1 166313957 538162971 /nfs/dbraw/zinc/16/29/71/538162971.db2.gz QXZLFBZTCXDNRD-MRVPVSSYSA-N 0 3 198.241 1.518 20 0 ADADHN CCn1cnnc1CN[C@H](C)C(C)C 166620973 538163050 /nfs/dbraw/zinc/16/30/50/538163050.db2.gz JKMHDYDUTJCGGO-SECBINFHSA-N 0 3 196.298 1.432 20 0 ADADHN COCc1ccc(CNCC2CC2)o1 166663846 538163451 /nfs/dbraw/zinc/16/34/51/538163451.db2.gz NICMGZRUHADPMP-UHFFFAOYSA-N 0 3 195.262 1.926 20 0 ADADHN CC(C)n1cc([C@@H](C)NCCO)cn1 166495671 538163533 /nfs/dbraw/zinc/16/35/33/538163533.db2.gz NJESFZANWATTED-SECBINFHSA-N 0 3 197.282 1.107 20 0 ADADHN CCc1ccc([C@H](C)N[C@H](C)CO)o1 166793590 538164494 /nfs/dbraw/zinc/16/44/94/538164494.db2.gz HLSSEOPFORWEPU-BDAKNGLRSA-N 0 3 197.278 1.873 20 0 ADADHN C[C@H](N[C@H](C)CO)c1cncc(F)c1 166788427 538164787 /nfs/dbraw/zinc/16/47/87/538164787.db2.gz UUVQAVZZIXYCJA-SFYZADRCSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@H](CO)N[C@H](C)c1cncc(F)c1 166788549 538165330 /nfs/dbraw/zinc/16/53/30/538165330.db2.gz UUVQAVZZIXYCJA-HTQZYQBOSA-N 0 3 198.241 1.252 20 0 ADADHN CCc1ccc([C@@H](C)N[C@H](C)CO)o1 166793484 538165380 /nfs/dbraw/zinc/16/53/80/538165380.db2.gz HLSSEOPFORWEPU-RKDXNWHRSA-N 0 3 197.278 1.873 20 0 ADADHN C[C@@H]1CCCN1Cc1cn[nH]c1 167356664 538170407 /nfs/dbraw/zinc/17/04/07/538170407.db2.gz NJYAOMSMWXLLOO-MRVPVSSYSA-N 0 3 165.240 1.394 20 0 ADADHN C[C@H]1CCCN1Cc1cn[nH]c1 167356761 538170639 /nfs/dbraw/zinc/17/06/39/538170639.db2.gz NJYAOMSMWXLLOO-QMMMGPOBSA-N 0 3 165.240 1.394 20 0 ADADHN C[C@H](NCC(C)(C)CO)c1ccoc1 168596201 538177163 /nfs/dbraw/zinc/17/71/63/538177163.db2.gz HKWAUTWCPPSFLX-VIFPVBQESA-N 0 3 197.278 1.949 20 0 ADADHN C[C@@H](NCC(C)(C)CO)c1ccoc1 168596278 538177584 /nfs/dbraw/zinc/17/75/84/538177584.db2.gz HKWAUTWCPPSFLX-SECBINFHSA-N 0 3 197.278 1.949 20 0 ADADHN CN(C)CCN(C)c1ccccn1 168388452 538178951 /nfs/dbraw/zinc/17/89/51/538178951.db2.gz GJPBSZYJYQNNCS-UHFFFAOYSA-N 0 3 179.267 1.079 20 0 ADADHN OCCCN[C@@H]1CCCc2occc21 169192823 538179481 /nfs/dbraw/zinc/17/94/81/538179481.db2.gz ISQNEYFNBYLGLV-SNVBAGLBSA-N 0 3 195.262 1.629 20 0 ADADHN COCCN(C)Cc1ccc(O)cc1 168965439 538179803 /nfs/dbraw/zinc/17/98/03/538179803.db2.gz FOPVBLDKLXILFP-UHFFFAOYSA-N 0 3 195.262 1.470 20 0 ADADHN COCCN[C@H]1CCCc2occc21 169188459 538179965 /nfs/dbraw/zinc/17/99/65/538179965.db2.gz JMXBZGSEYXDZGB-JTQLQIEISA-N 0 3 195.262 1.893 20 0 ADADHN OCCCN[C@H]1CCCc2occc21 169192896 538180225 /nfs/dbraw/zinc/18/02/25/538180225.db2.gz ISQNEYFNBYLGLV-JTQLQIEISA-N 0 3 195.262 1.629 20 0 ADADHN CC(C)C[C@H](C)NCc1ccn(C)n1 168995835 538180462 /nfs/dbraw/zinc/18/04/62/538180462.db2.gz MDSDLIULXCEDLS-JTQLQIEISA-N 0 3 195.310 1.944 20 0 ADADHN COCCN[C@@H]1CCCc2occc21 169188371 538180688 /nfs/dbraw/zinc/18/06/88/538180688.db2.gz JMXBZGSEYXDZGB-SNVBAGLBSA-N 0 3 195.262 1.893 20 0 ADADHN CC(C)C[C@@H](C)NCc1ccn(C)n1 168995755 538180903 /nfs/dbraw/zinc/18/09/03/538180903.db2.gz MDSDLIULXCEDLS-SNVBAGLBSA-N 0 3 195.310 1.944 20 0 ADADHN CNC(=O)CN(CC(C)C)C(C)C 198045174 538182364 /nfs/dbraw/zinc/18/23/64/538182364.db2.gz PCJWPPVYYQPNSI-UHFFFAOYSA-N 0 3 186.299 1.099 20 0 ADADHN CCCN1CCn2cncc2C1 198029643 538182662 /nfs/dbraw/zinc/18/26/62/538182662.db2.gz FUTZGJONRTZCMF-UHFFFAOYSA-N 0 3 165.240 1.109 20 0 ADADHN CCC[C@H]1CCCCN1CC(N)=O 200338381 538183158 /nfs/dbraw/zinc/18/31/58/538183158.db2.gz CHNMVTDPMUZVLF-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN CCC[C@@H]1CCCCN1CC(N)=O 200338345 538183768 /nfs/dbraw/zinc/18/37/68/538183768.db2.gz CHNMVTDPMUZVLF-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN CCCN(C)Cc1cnc[nH]1 202913101 538185585 /nfs/dbraw/zinc/18/55/85/538185585.db2.gz QMUURQMRHWIGMS-UHFFFAOYSA-N 0 3 153.229 1.252 20 0 ADADHN NCc1cccc(C(F)F)n1 212049013 538187347 /nfs/dbraw/zinc/18/73/47/538187347.db2.gz NUNJVRGXKNYAID-UHFFFAOYSA-N 0 3 158.151 1.478 20 0 ADADHN c1cc2c(o1)[C@H](C1CC1)NCC2 211971082 538187640 /nfs/dbraw/zinc/18/76/40/538187640.db2.gz CLEHOJVIANJWOP-VIFPVBQESA-N 0 3 163.220 1.876 20 0 ADADHN c1cc2c(o1)[C@@H](C1CC1)NCC2 211971009 538187810 /nfs/dbraw/zinc/18/78/10/538187810.db2.gz CLEHOJVIANJWOP-SECBINFHSA-N 0 3 163.220 1.876 20 0 ADADHN CNC[C@@H](F)C(C)C 211610203 538188158 /nfs/dbraw/zinc/18/81/58/538188158.db2.gz XEFXMRLYJVRINC-ZCFIWIBFSA-N 0 3 119.183 1.200 20 0 ADADHN C[C@H]1NCCc2ccoc21 211949704 538189293 /nfs/dbraw/zinc/18/92/93/538189293.db2.gz RIJOTTNEHFFQML-ZCFIWIBFSA-N 0 3 137.182 1.486 20 0 ADADHN CNC[C@H](F)C(C)C 211610273 538189316 /nfs/dbraw/zinc/18/93/16/538189316.db2.gz XEFXMRLYJVRINC-LURJTMIESA-N 0 3 119.183 1.200 20 0 ADADHN C[C@@H]1NCCc2ccoc21 211949779 538189388 /nfs/dbraw/zinc/18/93/88/538189388.db2.gz RIJOTTNEHFFQML-LURJTMIESA-N 0 3 137.182 1.486 20 0 ADADHN C[C@H]1CCCN(CCF)C1 221840707 538194877 /nfs/dbraw/zinc/19/48/77/538194877.db2.gz UJLODYMYIHRBDZ-QMMMGPOBSA-N 0 3 145.221 1.688 20 0 ADADHN CC[C@H](N)C(=O)CC1CC1 226542100 538198677 /nfs/dbraw/zinc/19/86/77/538198677.db2.gz AWTYFUJOZVXSBN-ZETCQYMHSA-N 0 3 141.214 1.093 20 0 ADADHN CC[C@@H](N)C(=O)CC1CCC1 226539174 538198690 /nfs/dbraw/zinc/19/86/90/538198690.db2.gz AHXUJWOFMAEVHA-MRVPVSSYSA-N 0 3 155.241 1.483 20 0 ADADHN CC[C@@H](N)C(=O)CC1CC1 226542093 538199254 /nfs/dbraw/zinc/19/92/54/538199254.db2.gz AWTYFUJOZVXSBN-SSDOTTSWSA-N 0 3 141.214 1.093 20 0 ADADHN CC[C@H](N)C(=O)CC1CCC1 226539178 538199295 /nfs/dbraw/zinc/19/92/95/538199295.db2.gz AHXUJWOFMAEVHA-QMMMGPOBSA-N 0 3 155.241 1.483 20 0 ADADHN CC[C@H](O)CN1CC(C)(C)C1 230027769 538201630 /nfs/dbraw/zinc/20/16/30/538201630.db2.gz LMOKBIJDTMRNET-QMMMGPOBSA-N 0 3 157.257 1.099 20 0 ADADHN C[C@H](CO)CCCNCc1ccco1 230159985 538204430 /nfs/dbraw/zinc/20/44/30/538204430.db2.gz TWCHNFFBYFXEOT-JTQLQIEISA-N 0 3 197.278 1.778 20 0 ADADHN C[C@@H](CO)CCCNCc1ccco1 230159983 538205066 /nfs/dbraw/zinc/20/50/66/538205066.db2.gz TWCHNFFBYFXEOT-SNVBAGLBSA-N 0 3 197.278 1.778 20 0 ADADHN c1cc(CNCC[C@H]2CCOC2)co1 230162766 538205360 /nfs/dbraw/zinc/20/53/60/538205360.db2.gz ZMZJESYALHWUFT-JTQLQIEISA-N 0 3 195.262 1.796 20 0 ADADHN c1cc(CNCC[C@@H]2CCOC2)co1 230162763 538205594 /nfs/dbraw/zinc/20/55/94/538205594.db2.gz ZMZJESYALHWUFT-SNVBAGLBSA-N 0 3 195.262 1.796 20 0 ADADHN C[C@H]1CC[C@H](CNCc2ncc[nH]2)C1 230404811 538206921 /nfs/dbraw/zinc/20/69/21/538206921.db2.gz WUBIAJPVVLFXIM-UWVGGRQHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@H]1CC[C@H](CNCc2cc[nH]n2)C1 230403579 538207362 /nfs/dbraw/zinc/20/73/62/538207362.db2.gz QQMYOJYJBWZJMX-UWVGGRQHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@H]1CC[C@@H](CNCc2ncc[nH]2)C1 230404805 538207489 /nfs/dbraw/zinc/20/74/89/538207489.db2.gz WUBIAJPVVLFXIM-VHSXEESVSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@@H]1CC[C@H](CNCc2ncc[nH]2)C1 230404808 538207516 /nfs/dbraw/zinc/20/75/16/538207516.db2.gz WUBIAJPVVLFXIM-ZJUUUORDSA-N 0 3 193.294 1.936 20 0 ADADHN COC[C@H](C)NCc1cncc(C)c1 230306378 538207822 /nfs/dbraw/zinc/20/78/22/538207822.db2.gz CSHGKRFQUYADQH-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN COC[C@@H](C)NCc1cncc(C)c1 230306374 538207857 /nfs/dbraw/zinc/20/78/57/538207857.db2.gz CSHGKRFQUYADQH-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN C[C@@H]1CC[C@@H](CNCc2cc[nH]n2)C1 230403572 538207929 /nfs/dbraw/zinc/20/79/29/538207929.db2.gz QQMYOJYJBWZJMX-NXEZZACHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@H]1CC[C@@H](CNCc2cc[nH]n2)C1 230403575 538208154 /nfs/dbraw/zinc/20/81/54/538208154.db2.gz QQMYOJYJBWZJMX-VHSXEESVSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@@H]1CC[C@H](CNCc2cc[nH]n2)C1 230403576 538208850 /nfs/dbraw/zinc/20/88/50/538208850.db2.gz QQMYOJYJBWZJMX-ZJUUUORDSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@@H]1CC[C@@H](CNCc2ncc[nH]2)C1 230404801 538209227 /nfs/dbraw/zinc/20/92/27/538209227.db2.gz WUBIAJPVVLFXIM-NXEZZACHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@@H]1CCC[C@@H]1CNCc1ncc[nH]1 230656204 538210283 /nfs/dbraw/zinc/21/02/83/538210283.db2.gz MAFHXSWDDNSRGV-NXEZZACHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@H]1CCC[C@H]1CNCc1cc[nH]n1 230649628 538210584 /nfs/dbraw/zinc/21/05/84/538210584.db2.gz IAVPDCZJAGPZSH-UWVGGRQHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@@H]1CCC[C@H]1CNCc1cc[nH]n1 230649625 538210635 /nfs/dbraw/zinc/21/06/35/538210635.db2.gz IAVPDCZJAGPZSH-ZJUUUORDSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@H]1CCC[C@@H]1CNCc1cc[nH]n1 230649617 538210861 /nfs/dbraw/zinc/21/08/61/538210861.db2.gz IAVPDCZJAGPZSH-VHSXEESVSA-N 0 3 193.294 1.936 20 0 ADADHN CCCC(=O)[C@@H](N)C1CC1 230528676 538211047 /nfs/dbraw/zinc/21/10/47/538211047.db2.gz BBRNXCJAPBAZEN-QMMMGPOBSA-N 0 3 141.214 1.093 20 0 ADADHN C[C@H]1CCC[C@H]1CNCc1ncc[nH]1 230656217 538211486 /nfs/dbraw/zinc/21/14/86/538211486.db2.gz MAFHXSWDDNSRGV-UWVGGRQHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@@H]1CCC[C@@H]1CNCc1cc[nH]n1 230649613 538211509 /nfs/dbraw/zinc/21/15/09/538211509.db2.gz IAVPDCZJAGPZSH-NXEZZACHSA-N 0 3 193.294 1.936 20 0 ADADHN C[C@H]1CCC[C@@H]1CNCc1ncc[nH]1 230656206 538211806 /nfs/dbraw/zinc/21/18/06/538211806.db2.gz MAFHXSWDDNSRGV-VHSXEESVSA-N 0 3 193.294 1.936 20 0 ADADHN CCCC(=O)[C@H](N)C1CC1 230528637 538212015 /nfs/dbraw/zinc/21/20/15/538212015.db2.gz BBRNXCJAPBAZEN-MRVPVSSYSA-N 0 3 141.214 1.093 20 0 ADADHN C[C@@H]1CCC[C@H]1CNCc1ncc[nH]1 230656212 538212078 /nfs/dbraw/zinc/21/20/78/538212078.db2.gz MAFHXSWDDNSRGV-ZJUUUORDSA-N 0 3 193.294 1.936 20 0 ADADHN Cn1ncnc1CNC(C)(C)C1CC1 230623126 538212229 /nfs/dbraw/zinc/21/22/29/538212229.db2.gz LLRKKRIZYMPJNM-UHFFFAOYSA-N 0 3 194.282 1.093 20 0 ADADHN COC1CC(NCc2occc2C)C1 230690038 538214176 /nfs/dbraw/zinc/21/41/76/538214176.db2.gz GXKANQOFJLCAQX-UHFFFAOYSA-N 0 3 195.262 1.855 20 0 ADADHN COC1CC(NCc2ccco2)C1 230689747 538214422 /nfs/dbraw/zinc/21/44/22/538214422.db2.gz BTSZJCHDZNKMNR-UHFFFAOYSA-N 0 3 181.235 1.547 20 0 ADADHN COC1CC(NCc2ccoc2)C1 230688909 538215741 /nfs/dbraw/zinc/21/57/41/538215741.db2.gz XYCPZBHSCKJQNN-UHFFFAOYSA-N 0 3 181.235 1.547 20 0 ADADHN c1nc2c(s1)CN(CC1CC1)CC2 231211470 538216478 /nfs/dbraw/zinc/21/64/78/538216478.db2.gz SKRSYYPMKDIUJR-UHFFFAOYSA-N 0 3 194.303 1.911 20 0 ADADHN C[C@@H]1CC[C@H](CN(CCO)C2CC2)O1 232030629 538222758 /nfs/dbraw/zinc/22/27/58/538222758.db2.gz GLHZLFDWOXDBSO-MWLCHTKSSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CC[C@@H](CN(CCO)C2CC2)O1 232030626 538223113 /nfs/dbraw/zinc/22/31/13/538223113.db2.gz GLHZLFDWOXDBSO-ONGXEEELSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H]1CC[C@@H](CN(CCO)C2CC2)O1 232030623 538223895 /nfs/dbraw/zinc/22/38/95/538223895.db2.gz GLHZLFDWOXDBSO-KOLCDFICSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CC[C@H](CN(CCO)C2CC2)O1 232030632 538225632 /nfs/dbraw/zinc/22/56/32/538225632.db2.gz GLHZLFDWOXDBSO-GXSJLCMTSA-N 0 3 199.294 1.011 20 0 ADADHN C=Cn1cc(CNC(C)C)cn1 232653514 538226926 /nfs/dbraw/zinc/22/69/26/538226926.db2.gz RUBOYHASJJKITA-UHFFFAOYSA-N 0 3 165.240 1.482 20 0 ADADHN CCC(=O)CCCN1CC[C@H](CO)C1 232863657 538226955 /nfs/dbraw/zinc/22/69/55/538226955.db2.gz UWLXOYDTAFIOSL-JTQLQIEISA-N 0 3 199.294 1.060 20 0 ADADHN CC(C)=CCNCc1cncn1C 232619009 538227327 /nfs/dbraw/zinc/22/73/27/538227327.db2.gz WKVPFDFKPDUOJN-UHFFFAOYSA-N 0 3 179.267 1.476 20 0 ADADHN C=Cn1cc(CNC2CC(C)C2)cn1 232835706 538227412 /nfs/dbraw/zinc/22/74/12/538227412.db2.gz RUNJZYUEOTVWLM-UHFFFAOYSA-N 0 3 191.278 1.872 20 0 ADADHN CC(C)=CCNCc1cn(C)nc1C 232618567 538227514 /nfs/dbraw/zinc/22/75/14/538227514.db2.gz PMTLYHRMRNDWIY-UHFFFAOYSA-N 0 3 193.294 1.784 20 0 ADADHN CCC(=O)CCCN1CCC[C@H]1CO 232857355 538227936 /nfs/dbraw/zinc/22/79/36/538227936.db2.gz BFWAJBDICJBEFX-JTQLQIEISA-N 0 3 199.294 1.202 20 0 ADADHN CC(C)=CCNCc1c[nH]nc1C 232613244 538227979 /nfs/dbraw/zinc/22/79/79/538227979.db2.gz PBEMPFPLMVKXJS-UHFFFAOYSA-N 0 3 179.267 1.774 20 0 ADADHN CCC(=O)CCCN1CCC[C@@H]1CO 232856079 538228324 /nfs/dbraw/zinc/22/83/24/538228324.db2.gz BFWAJBDICJBEFX-SNVBAGLBSA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCCN1CCC(O)CC1 232852388 538228407 /nfs/dbraw/zinc/22/84/07/538228407.db2.gz QUOPDYGXGNKGOT-UHFFFAOYSA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCCN1CC[C@@H](CO)C1 232862211 538228481 /nfs/dbraw/zinc/22/84/81/538228481.db2.gz UWLXOYDTAFIOSL-SNVBAGLBSA-N 0 3 199.294 1.060 20 0 ADADHN C=Cn1cc(CNC2CC2)cn1 232568622 538228942 /nfs/dbraw/zinc/22/89/42/538228942.db2.gz MAWVRCBJCRAHQE-UHFFFAOYSA-N 0 3 163.224 1.236 20 0 ADADHN C=Cn1cc(CNC2CC=CC2)cn1 232568669 538229526 /nfs/dbraw/zinc/22/95/26/538229526.db2.gz BPTHPBIVAOORJZ-UHFFFAOYSA-N 0 3 189.262 1.792 20 0 ADADHN CC(C)=CCNCc1ccnn1C 232618336 538229680 /nfs/dbraw/zinc/22/96/80/538229680.db2.gz OUTOQIQWWSHJJT-UHFFFAOYSA-N 0 3 179.267 1.476 20 0 ADADHN CCC(=O)CCCN(CCO)C1CC1 232846906 538229772 /nfs/dbraw/zinc/22/97/72/538229772.db2.gz KICOHOTUWXLLEM-UHFFFAOYSA-N 0 3 199.294 1.202 20 0 ADADHN CCCCNCc1cn(C)cn1 232987746 538230993 /nfs/dbraw/zinc/23/09/93/538230993.db2.gz XRVILQLLVPNUSC-UHFFFAOYSA-N 0 3 167.256 1.310 20 0 ADADHN CCC(C)(C)CNCc1cnnn1C 232917639 538231906 /nfs/dbraw/zinc/23/19/06/538231906.db2.gz HJJKOEKCUYALRR-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN C=Cn1cc(CNCCC)cn1 233106412 538231919 /nfs/dbraw/zinc/23/19/19/538231919.db2.gz KXUJGVPTKZYOGV-UHFFFAOYSA-N 0 3 165.240 1.483 20 0 ADADHN CCC(C)(C)CNCc1ncc[nH]1 232918236 538232702 /nfs/dbraw/zinc/23/27/02/538232702.db2.gz AQSVXBYWXFWWDX-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN CCOC1CC(NCCF)C1 233725327 538234045 /nfs/dbraw/zinc/23/40/45/538234045.db2.gz FYAJTBSIDZMZLH-UHFFFAOYSA-N 0 3 161.220 1.113 20 0 ADADHN CCN(C)C(=O)[C@H](C)NC1CC(C)C1 233434756 538234253 /nfs/dbraw/zinc/23/42/53/538234253.db2.gz BQUYSJHZWPSWIB-KYHHOPLUSA-N 0 3 198.310 1.241 20 0 ADADHN C=Cn1cc(CNCC)cn1 233539369 538234686 /nfs/dbraw/zinc/23/46/86/538234686.db2.gz CWVYNQIOMKGIPK-UHFFFAOYSA-N 0 3 151.213 1.093 20 0 ADADHN CCO[C@@H]1C[C@H](NCCF)C1(C)C 233765430 538234972 /nfs/dbraw/zinc/23/49/72/538234972.db2.gz MMMGTLJWNVFBEX-DTWKUNHWSA-N 0 3 189.274 1.749 20 0 ADADHN CCO[C@@H]1C[C@@H](NCCF)C1(C)C 233743875 538234989 /nfs/dbraw/zinc/23/49/89/538234989.db2.gz MMMGTLJWNVFBEX-RKDXNWHRSA-N 0 3 189.274 1.749 20 0 ADADHN CCO[C@H]1C[C@H](NCCF)C1(C)C 233760858 538235264 /nfs/dbraw/zinc/23/52/64/538235264.db2.gz MMMGTLJWNVFBEX-IUCAKERBSA-N 0 3 189.274 1.749 20 0 ADADHN CCO[C@H]1C[C@@H](NCCF)C1(C)C 233779194 538236247 /nfs/dbraw/zinc/23/62/47/538236247.db2.gz MMMGTLJWNVFBEX-BDAKNGLRSA-N 0 3 189.274 1.749 20 0 ADADHN CCN(C)C(=O)[C@@H](C)NC1CC(C)C1 233448101 538236456 /nfs/dbraw/zinc/23/64/56/538236456.db2.gz BQUYSJHZWPSWIB-HWOCKDDLSA-N 0 3 198.310 1.241 20 0 ADADHN C=Cn1cc(CNCCOCC)cn1 233728170 538236481 /nfs/dbraw/zinc/23/64/81/538236481.db2.gz ZUGNLBCVQNBHHC-UHFFFAOYSA-N 0 3 195.266 1.110 20 0 ADADHN CCC(=O)N1CCCN(C)C[C@@H]1CC 234110245 538236821 /nfs/dbraw/zinc/23/68/21/538236821.db2.gz NNVLNJFHBCJCGJ-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCc1ccc(CNCCCCO)o1 234160332 538236868 /nfs/dbraw/zinc/23/68/68/538236868.db2.gz QSMREHWBTRVSQN-UHFFFAOYSA-N 0 3 197.278 1.704 20 0 ADADHN CCn1nccc1CNCC=C(C)C 234209774 538237306 /nfs/dbraw/zinc/23/73/06/538237306.db2.gz ZKRGQNPLPMSAOP-UHFFFAOYSA-N 0 3 193.294 1.959 20 0 ADADHN C=Cn1cc(CNCCCOC)cn1 234610710 538237410 /nfs/dbraw/zinc/23/74/10/538237410.db2.gz ITCBLRAYSGFWGM-UHFFFAOYSA-N 0 3 195.266 1.110 20 0 ADADHN COCCCN[C@H](C)c1ccnn1C 234615872 538238133 /nfs/dbraw/zinc/23/81/33/538238133.db2.gz DQZGPVWGZAOIBT-SECBINFHSA-N 0 3 197.282 1.107 20 0 ADADHN CCn1cc(CNCC=C(C)C)cn1 234223336 538238672 /nfs/dbraw/zinc/23/86/72/538238672.db2.gz WBZVOHPEXZHYHF-UHFFFAOYSA-N 0 3 193.294 1.959 20 0 ADADHN COCCCN[C@@H](C)c1ccnn1C 234613556 538238933 /nfs/dbraw/zinc/23/89/33/538238933.db2.gz DQZGPVWGZAOIBT-VIFPVBQESA-N 0 3 197.282 1.107 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1ccnn1C 234692059 538239162 /nfs/dbraw/zinc/23/91/62/538239162.db2.gz DREHZPSHLNRNIK-BDAKNGLRSA-N 0 3 197.282 1.106 20 0 ADADHN C=Cn1cc(CN[C@H](C)COC)cn1 234689148 538240052 /nfs/dbraw/zinc/24/00/52/538240052.db2.gz LIJCKKVDTFLTOD-SECBINFHSA-N 0 3 195.266 1.108 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1ccnn1C 234693825 538240444 /nfs/dbraw/zinc/24/04/44/538240444.db2.gz DREHZPSHLNRNIK-RKDXNWHRSA-N 0 3 197.282 1.106 20 0 ADADHN C[C@@H](NC1CC=CC1)c1ccnn1C 235179651 538242011 /nfs/dbraw/zinc/24/20/11/538242011.db2.gz IOPCEHPYNGAVLK-SECBINFHSA-N 0 3 191.278 1.789 20 0 ADADHN C[C@@H](NCCCCO)c1ccoc1 235210791 538243935 /nfs/dbraw/zinc/24/39/35/538243935.db2.gz CDTRWGCIUTWNCY-SECBINFHSA-N 0 3 183.251 1.703 20 0 ADADHN Cc1ccc(CNCCCCO)nc1 235775982 538246410 /nfs/dbraw/zinc/24/64/10/538246410.db2.gz NVDLRLMHJBSKBZ-UHFFFAOYSA-N 0 3 194.278 1.252 20 0 ADADHN C[C@H](NC1CC=CC1)c1ccnn1C 235523774 538247117 /nfs/dbraw/zinc/24/71/17/538247117.db2.gz IOPCEHPYNGAVLK-VIFPVBQESA-N 0 3 191.278 1.789 20 0 ADADHN C[C@H](NCCCCO)c1ccoc1 235514282 538247637 /nfs/dbraw/zinc/24/76/37/538247637.db2.gz CDTRWGCIUTWNCY-VIFPVBQESA-N 0 3 183.251 1.703 20 0 ADADHN Cc1cc(CNCC2(C)CC2)n(C)n1 235854085 538247820 /nfs/dbraw/zinc/24/78/20/538247820.db2.gz PZDAOPYIDGBUMO-UHFFFAOYSA-N 0 3 193.294 1.618 20 0 ADADHN Cc1ccoc1CNCCCCO 235801062 538248659 /nfs/dbraw/zinc/24/86/59/538248659.db2.gz CGWIAEMRDQAICK-UHFFFAOYSA-N 0 3 183.251 1.450 20 0 ADADHN O[C@H]1CC[C@H](CNCc2ccco2)C1 236577803 538249632 /nfs/dbraw/zinc/24/96/32/538249632.db2.gz OAKGRXKUMGFETR-UWVGGRQHSA-N 0 3 195.262 1.530 20 0 ADADHN O[C@@H]1CC[C@H](CNCc2ccco2)C1 236549848 538249837 /nfs/dbraw/zinc/24/98/37/538249837.db2.gz OAKGRXKUMGFETR-VHSXEESVSA-N 0 3 195.262 1.530 20 0 ADADHN O[C@@H]1CC[C@@H](CNCc2ccco2)C1 236534582 538250502 /nfs/dbraw/zinc/25/05/02/538250502.db2.gz OAKGRXKUMGFETR-NXEZZACHSA-N 0 3 195.262 1.530 20 0 ADADHN O[C@H]1CC[C@@H](CNCc2ccco2)C1 236565310 538250724 /nfs/dbraw/zinc/25/07/24/538250724.db2.gz OAKGRXKUMGFETR-ZJUUUORDSA-N 0 3 195.262 1.530 20 0 ADADHN OCCCCNCc1cccc(O)c1 236500055 538251339 /nfs/dbraw/zinc/25/13/39/538251339.db2.gz XYAALMIAXICNGF-UHFFFAOYSA-N 0 3 195.262 1.254 20 0 ADADHN CCN(CC)Cc1cnc[nH]1 238252696 538253796 /nfs/dbraw/zinc/25/37/96/538253796.db2.gz SVNLIEQIKKIRTH-UHFFFAOYSA-N 0 3 153.229 1.252 20 0 ADADHN C[C@H](NC/C=C/CO)c1ccccc1 238454293 538254786 /nfs/dbraw/zinc/25/47/86/538254786.db2.gz CJRXRFFOZWUZRU-QRGHLMKCSA-N 0 3 191.274 1.886 20 0 ADADHN CC[C@@H](C)CN(CC)[C@H](C)C(N)=O 251621647 538260865 /nfs/dbraw/zinc/26/08/65/538260865.db2.gz BJYQHICMWCEDMK-RKDXNWHRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C)CN(CC)[C@H](C)C(N)=O 251621641 538260961 /nfs/dbraw/zinc/26/09/61/538260961.db2.gz BJYQHICMWCEDMK-DTWKUNHWSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C(N)=O)N1CC[C@@H](C)[C@H](C)C1 252727528 538275383 /nfs/dbraw/zinc/27/53/83/538275383.db2.gz HQXRIBLTDWAXAW-OPRDCNLKSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](C(N)=O)N1CC[C@H](C)[C@@H](C)C1 252727527 538275523 /nfs/dbraw/zinc/27/55/23/538275523.db2.gz HQXRIBLTDWAXAW-LPEHRKFASA-N 0 3 198.310 1.228 20 0 ADADHN OCC1(CNCc2ccco2)CCC1 258695551 538287214 /nfs/dbraw/zinc/28/72/14/538287214.db2.gz QWHVJLCXJJESEE-UHFFFAOYSA-N 0 3 195.262 1.532 20 0 ADADHN NC1(c2ccccc2Cl)CC(O)C1 258035179 538287526 /nfs/dbraw/zinc/28/75/26/538287526.db2.gz IWUFYFZZZHUSKU-UHFFFAOYSA-N 0 3 197.665 1.649 20 0 ADADHN CC(C)[C@H](CO)CNCc1ccco1 258742654 538287637 /nfs/dbraw/zinc/28/76/37/538287637.db2.gz WHVAKDFXGHDBMH-JTQLQIEISA-N 0 3 197.278 1.634 20 0 ADADHN Cn1cnc(CN2CCCCCC2)c1 258318072 538288185 /nfs/dbraw/zinc/28/81/85/538288185.db2.gz WHUXBNDFASGKRH-UHFFFAOYSA-N 0 3 193.294 1.796 20 0 ADADHN CN[C@H]1Cc2ccc(F)cc21 258537665 538288668 /nfs/dbraw/zinc/28/86/68/538288668.db2.gz ODZNGBVOFORHQU-VIFPVBQESA-N 0 3 151.184 1.642 20 0 ADADHN CN[C@@H]1Cc2ccc(F)cc21 258537662 538288920 /nfs/dbraw/zinc/28/89/20/538288920.db2.gz ODZNGBVOFORHQU-SECBINFHSA-N 0 3 151.184 1.642 20 0 ADADHN CN[C@H]1Cc2cccc(F)c21 258533956 538288937 /nfs/dbraw/zinc/28/89/37/538288937.db2.gz NRASQXHEYUESHT-QMMMGPOBSA-N 0 3 151.184 1.642 20 0 ADADHN CN[C@@H]1Cc2cccc(F)c21 258533955 538289283 /nfs/dbraw/zinc/28/92/83/538289283.db2.gz NRASQXHEYUESHT-MRVPVSSYSA-N 0 3 151.184 1.642 20 0 ADADHN CC(C)[C@@H](CO)CNCc1ccco1 258742657 538289308 /nfs/dbraw/zinc/28/93/08/538289308.db2.gz WHVAKDFXGHDBMH-SNVBAGLBSA-N 0 3 197.278 1.634 20 0 ADADHN OCC[C@H]1CCCN1Cc1ccco1 259299572 538290612 /nfs/dbraw/zinc/29/06/12/538290612.db2.gz PNXGCLDFLLDVNE-SNVBAGLBSA-N 0 3 195.262 1.626 20 0 ADADHN OCC[C@@H]1CCCN1Cc1ccco1 259299567 538291366 /nfs/dbraw/zinc/29/13/66/538291366.db2.gz PNXGCLDFLLDVNE-JTQLQIEISA-N 0 3 195.262 1.626 20 0 ADADHN NC1(c2ccccc2F)CC(O)C1 259545489 538291709 /nfs/dbraw/zinc/29/17/09/538291709.db2.gz CAUMHWRINTWOCW-UHFFFAOYSA-N 0 3 181.210 1.134 20 0 ADADHN COc1ccccc1C1(N)CC(O)C1 259788120 538292287 /nfs/dbraw/zinc/29/22/87/538292287.db2.gz RAKHZIBTGHRMJG-UHFFFAOYSA-N 0 3 193.246 1.004 20 0 ADADHN C[C@@H]1COC[C@H](CC(=O)C2CCC2)N1 306244418 538300766 /nfs/dbraw/zinc/30/07/66/538300766.db2.gz ASPXJFKGCRKGRB-SCZZXKLOSA-N 0 3 197.278 1.123 20 0 ADADHN C[C@H]1COC[C@@H](CC(=O)C2CCC2)N1 306244420 538300907 /nfs/dbraw/zinc/30/09/07/538300907.db2.gz ASPXJFKGCRKGRB-WCBMZHEXSA-N 0 3 197.278 1.123 20 0 ADADHN C[C@H]1COC[C@H](CC(=O)C2CCC2)N1 306244422 538301068 /nfs/dbraw/zinc/30/10/68/538301068.db2.gz ASPXJFKGCRKGRB-WPRPVWTQSA-N 0 3 197.278 1.123 20 0 ADADHN C[C@@H]1COC[C@@H](CC(=O)C2CCC2)N1 306244415 538301082 /nfs/dbraw/zinc/30/10/82/538301082.db2.gz ASPXJFKGCRKGRB-PSASIEDQSA-N 0 3 197.278 1.123 20 0 ADADHN CCN(CCF)CC(C)C 306382155 538303860 /nfs/dbraw/zinc/30/38/60/538303860.db2.gz PHFSVHNPQSHKME-UHFFFAOYSA-N 0 3 147.237 1.934 20 0 ADADHN CCCN(CC)CCF 306453960 538305224 /nfs/dbraw/zinc/30/52/24/538305224.db2.gz OMEWYZZJBMJABX-UHFFFAOYSA-N 0 3 133.210 1.688 20 0 ADADHN Cc1cnc(N[C@@H](C)CN(C)C)s1 306524674 538306565 /nfs/dbraw/zinc/30/65/65/538306565.db2.gz ZOKPMQLFRIOPCO-ZETCQYMHSA-N 0 3 199.323 1.814 20 0 ADADHN C[C@@H]1CC[C@]2(C1)NCCc1nc[nH]c12 306555189 538307114 /nfs/dbraw/zinc/30/71/14/538307114.db2.gz FGNILHWROWCDTE-LDYMZIIASA-N 0 3 191.278 1.571 20 0 ADADHN C[C@H]1CC[C@@]2(C1)NCCc1nc[nH]c12 306555188 538307333 /nfs/dbraw/zinc/30/73/33/538307333.db2.gz FGNILHWROWCDTE-KWQFWETISA-N 0 3 191.278 1.571 20 0 ADADHN C[C@H]1CC[C@]2(C1)NCCc1nc[nH]c12 306555186 538307345 /nfs/dbraw/zinc/30/73/45/538307345.db2.gz FGNILHWROWCDTE-GZMMTYOYSA-N 0 3 191.278 1.571 20 0 ADADHN C[C@@H]1CC[C@@]2(C1)NCCc1nc[nH]c12 306555187 538307399 /nfs/dbraw/zinc/30/73/99/538307399.db2.gz FGNILHWROWCDTE-KCJUWKMLSA-N 0 3 191.278 1.571 20 0 ADADHN CC1([C@@]2(C)NCCc3nc[nH]c32)CC1 306868399 538310825 /nfs/dbraw/zinc/31/08/25/538310825.db2.gz QNPMIWPVDWCECJ-NSHDSACASA-N 0 3 191.278 1.571 20 0 ADADHN CC1([C@]2(C)NCCc3nc[nH]c32)CC1 306868398 538311564 /nfs/dbraw/zinc/31/15/64/538311564.db2.gz QNPMIWPVDWCECJ-LLVKDONJSA-N 0 3 191.278 1.571 20 0 ADADHN Cn1ccc(CN2CCCOCC2)c1 335773166 538328292 /nfs/dbraw/zinc/32/82/92/538328292.db2.gz FZOHDMHSLAAPRG-UHFFFAOYSA-N 0 3 194.278 1.247 20 0 ADADHN C[C@H]1CC[C@@H](CN2CCCOCC2)O1 335753058 538328423 /nfs/dbraw/zinc/32/84/23/538328423.db2.gz QEXPAVUESOUTHO-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN C[C@H]1CC[C@H](CN2CCCOCC2)O1 335753059 538328444 /nfs/dbraw/zinc/32/84/44/538328444.db2.gz QEXPAVUESOUTHO-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CC[C@H](C)NCc1n[nH]cc1C 379314113 538336246 /nfs/dbraw/zinc/33/62/46/538336246.db2.gz LKIIJCNZCHNLFB-QMMMGPOBSA-N 0 3 167.256 1.606 20 0 ADADHN CC[C@@H](COC)N[C@H](C)CF 379308152 538336477 /nfs/dbraw/zinc/33/64/77/538336477.db2.gz WYAFCUVEZFDEND-SFYZADRCSA-N 0 3 163.236 1.359 20 0 ADADHN CC[C@@H](C)CNCc1cocn1 379310843 538336612 /nfs/dbraw/zinc/33/66/12/538336612.db2.gz BVIBGVQSGSUAKI-MRVPVSSYSA-N 0 3 168.240 1.810 20 0 ADADHN CCC(CC)NCc1cocn1 379311501 538337096 /nfs/dbraw/zinc/33/70/96/538337096.db2.gz MYLUKLOLTSOPIT-UHFFFAOYSA-N 0 3 168.240 1.953 20 0 ADADHN CC[C@H](COC)N[C@H](C)CF 379308150 538338061 /nfs/dbraw/zinc/33/80/61/538338061.db2.gz WYAFCUVEZFDEND-HTQZYQBOSA-N 0 3 163.236 1.359 20 0 ADADHN CC[C@@H](C)NCc1n[nH]cc1C 379314112 538338611 /nfs/dbraw/zinc/33/86/11/538338611.db2.gz LKIIJCNZCHNLFB-MRVPVSSYSA-N 0 3 167.256 1.606 20 0 ADADHN CC[C@H](C)CNCc1cocn1 379310844 538338936 /nfs/dbraw/zinc/33/89/36/538338936.db2.gz BVIBGVQSGSUAKI-QMMMGPOBSA-N 0 3 168.240 1.810 20 0 ADADHN Cc1cn[nH]c1CN[C@H](C)CF 379315240 538340001 /nfs/dbraw/zinc/34/00/01/538340001.db2.gz RREOXNRCMXWFPQ-SSDOTTSWSA-N 0 3 171.219 1.166 20 0 ADADHN CCN(CC)Cc1cnn(C)c1 379318029 538341372 /nfs/dbraw/zinc/34/13/72/538341372.db2.gz IXFSJEAQIOJBNH-UHFFFAOYSA-N 0 3 167.256 1.262 20 0 ADADHN CC(C)OC[C@H](C)N[C@H](C)CF 379323705 538343105 /nfs/dbraw/zinc/34/31/05/538343105.db2.gz SGEOBILRBPHZGR-BDAKNGLRSA-N 0 3 177.263 1.748 20 0 ADADHN CC(C)OC[C@@H](C)N[C@H](C)CF 379323706 538343474 /nfs/dbraw/zinc/34/34/74/538343474.db2.gz SGEOBILRBPHZGR-RKDXNWHRSA-N 0 3 177.263 1.748 20 0 ADADHN Cc1c[nH]nc1CNCC(C)C 379321634 538343605 /nfs/dbraw/zinc/34/36/05/538343605.db2.gz DFKRIANJERGPDB-UHFFFAOYSA-N 0 3 167.256 1.464 20 0 ADADHN CCN(CC)Cc1c[nH]nc1C 379326666 538347238 /nfs/dbraw/zinc/34/72/38/538347238.db2.gz AIBHXFWZFZHBEG-UHFFFAOYSA-N 0 3 167.256 1.560 20 0 ADADHN CCOC1CC(N[C@H](C)CF)C1 379328498 538348555 /nfs/dbraw/zinc/34/85/55/538348555.db2.gz PTTMZSGYSUEDLV-AFPNSQJFSA-N 0 3 175.247 1.502 20 0 ADADHN CN(CCCF)C[C@@H]1CCCO1 379330898 538349825 /nfs/dbraw/zinc/34/98/25/538349825.db2.gz YSZJFNGRTDBPSH-VIFPVBQESA-N 0 3 175.247 1.457 20 0 ADADHN COC[C@H](CC(C)C)NCCF 379329201 538350904 /nfs/dbraw/zinc/35/09/04/538350904.db2.gz SZFHEVQUTGYVPN-VIFPVBQESA-N 0 3 177.263 1.607 20 0 ADADHN COC[C@@H](CC(C)C)NCCF 379329200 538352076 /nfs/dbraw/zinc/35/20/76/538352076.db2.gz SZFHEVQUTGYVPN-SECBINFHSA-N 0 3 177.263 1.607 20 0 ADADHN CN(CCOCC(F)F)C1CC1 379338703 538355354 /nfs/dbraw/zinc/35/53/54/538355354.db2.gz NUQVIVAXUULPLX-UHFFFAOYSA-N 0 3 179.210 1.362 20 0 ADADHN Cc1coc(SCCN(C)C)n1 379335315 538355827 /nfs/dbraw/zinc/35/58/27/538355827.db2.gz OJWDZKOWOMZVSH-UHFFFAOYSA-N 0 3 186.280 1.637 20 0 ADADHN Cc1cc(CNC[C@H]2C[C@@H]2C)on1 379343957 538356233 /nfs/dbraw/zinc/35/62/33/538356233.db2.gz NVEFTZJVTLHGMW-IONNQARKSA-N 0 3 180.251 1.729 20 0 ADADHN Cc1cc(CNC[C@H]2C[C@H]2C)on1 379343958 538356318 /nfs/dbraw/zinc/35/63/18/538356318.db2.gz NVEFTZJVTLHGMW-VXNVDRBHSA-N 0 3 180.251 1.729 20 0 ADADHN Cc1cc(CNC[C@@H]2C[C@H]2C)on1 379343955 538356371 /nfs/dbraw/zinc/35/63/71/538356371.db2.gz NVEFTZJVTLHGMW-APPZFPTMSA-N 0 3 180.251 1.729 20 0 ADADHN CCCCN(C)Cc1cnc[nH]1 379339118 538356878 /nfs/dbraw/zinc/35/68/78/538356878.db2.gz XIMYUAZIOJGHAZ-UHFFFAOYSA-N 0 3 167.256 1.642 20 0 ADADHN c1coc(CNCCN2CCC2)c1 379346215 538356923 /nfs/dbraw/zinc/35/69/23/538356923.db2.gz FGLXJLWXWPQGCG-UHFFFAOYSA-N 0 3 180.251 1.075 20 0 ADADHN Cc1cc(CNC[C@@H]2C[C@@H]2C)on1 379343956 538357743 /nfs/dbraw/zinc/35/77/43/538357743.db2.gz NVEFTZJVTLHGMW-CBAPKCEASA-N 0 3 180.251 1.729 20 0 ADADHN Cc1cc(CNCC2(C)CC2)on1 379352025 538357944 /nfs/dbraw/zinc/35/79/44/538357944.db2.gz ZLHHSKWIMUVAGM-UHFFFAOYSA-N 0 3 180.251 1.873 20 0 ADADHN FCCCN1CCOC[C@@H]1C1CC1 379357258 538359242 /nfs/dbraw/zinc/35/92/42/538359242.db2.gz QYQBCMCSDHQVQD-SNVBAGLBSA-N 0 3 187.258 1.457 20 0 ADADHN FCCCN1CCOC[C@H]1C1CC1 379357257 538359281 /nfs/dbraw/zinc/35/92/81/538359281.db2.gz QYQBCMCSDHQVQD-JTQLQIEISA-N 0 3 187.258 1.457 20 0 ADADHN CC[C@H](C)NC(=O)CN(C)C(C)C 379354994 538359431 /nfs/dbraw/zinc/35/94/31/538359431.db2.gz KDOKZWJMMXEXLS-VIFPVBQESA-N 0 3 186.299 1.241 20 0 ADADHN CC[C@@H](C)NC(=O)CN(C)C(C)C 379354993 538361201 /nfs/dbraw/zinc/36/12/01/538361201.db2.gz KDOKZWJMMXEXLS-SECBINFHSA-N 0 3 186.299 1.241 20 0 ADADHN C[C@@H](NCCCF)c1cnccn1 379359957 538363251 /nfs/dbraw/zinc/36/32/51/538363251.db2.gz AQJUKHCHIJFQAJ-MRVPVSSYSA-N 0 3 183.230 1.487 20 0 ADADHN Cc1c[nH]nc1CNCC(C)(C)C 379360190 538363880 /nfs/dbraw/zinc/36/38/80/538363880.db2.gz BPSZMUIDZYNPCS-UHFFFAOYSA-N 0 3 181.283 1.854 20 0 ADADHN C[C@H](NCCCF)c1cnccn1 379359959 538364435 /nfs/dbraw/zinc/36/44/35/538364435.db2.gz AQJUKHCHIJFQAJ-QMMMGPOBSA-N 0 3 183.230 1.487 20 0 ADADHN Cc1c[nH]nc1CNCCC1CC1 379360476 538364741 /nfs/dbraw/zinc/36/47/41/538364741.db2.gz CEWKOXODBOAFGE-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN Cc1cnn(C)c1CNCCCF 379360883 538364910 /nfs/dbraw/zinc/36/49/10/538364910.db2.gz BUDAAZVASAJCIG-UHFFFAOYSA-N 0 3 185.246 1.178 20 0 ADADHN CCCCC(=O)N[C@@H](C)CN(C)C 379360912 538365061 /nfs/dbraw/zinc/36/50/61/538365061.db2.gz BXMOBEHBWAIWAH-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CC[C@]1(C)COCCN1CCCF 379364376 538365961 /nfs/dbraw/zinc/36/59/61/538365961.db2.gz MFBGZUJLRNSXJU-SNVBAGLBSA-N 0 3 189.274 1.847 20 0 ADADHN CCC(CC)CNC1(C(N)=O)CC1 379365758 538366019 /nfs/dbraw/zinc/36/60/19/538366019.db2.gz PSGHRWXSPSITAE-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN Cc1c[nH]nc1CNCC1(C)CC1 379367425 538368117 /nfs/dbraw/zinc/36/81/17/538368117.db2.gz UYDGBUHNVZLDEO-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN CC[C@@]1(C)COCCN1CCCF 379364375 538366044 /nfs/dbraw/zinc/36/60/44/538366044.db2.gz MFBGZUJLRNSXJU-JTQLQIEISA-N 0 3 189.274 1.847 20 0 ADADHN CN1CCN(CCCCCF)CC1 379365501 538367469 /nfs/dbraw/zinc/36/74/69/538367469.db2.gz JMKYAORHJOJDAV-UHFFFAOYSA-N 0 3 188.290 1.374 20 0 ADADHN CCNC(=O)CN(CC)CC(C)C 379369247 538369009 /nfs/dbraw/zinc/36/90/09/538369009.db2.gz DIEOCOAMKXQYJL-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCN(CCCC(C)C)CC(N)=O 379377996 538369715 /nfs/dbraw/zinc/36/97/15/538369715.db2.gz ZQYVMGXPXJDMME-UHFFFAOYSA-N 0 3 186.299 1.230 20 0 ADADHN CN(Cc1c[nH]cn1)CC(C)(C)C 379376538 538369894 /nfs/dbraw/zinc/36/98/94/538369894.db2.gz UEPWQBHWKDXMBZ-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CN(Cc1cnc[nH]1)CC(C)(C)C 379376538 538369896 /nfs/dbraw/zinc/36/98/96/538369896.db2.gz UEPWQBHWKDXMBZ-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CCCN1C[C@@H](COC)O[C@H](C)C1 379374438 538369947 /nfs/dbraw/zinc/36/99/47/538369947.db2.gz MXZKUFHVCMRSTN-ZJUUUORDSA-N 0 3 187.283 1.132 20 0 ADADHN CC[C@@H](C)CN(CC)CC(=O)NC 379378280 538370852 /nfs/dbraw/zinc/37/08/52/538370852.db2.gz ACMBDDZTWHHOJP-SECBINFHSA-N 0 3 186.299 1.100 20 0 ADADHN CC[C@H](C)CN(CC)CC(=O)NC 379378282 538370977 /nfs/dbraw/zinc/37/09/77/538370977.db2.gz ACMBDDZTWHHOJP-VIFPVBQESA-N 0 3 186.299 1.100 20 0 ADADHN CCCN1C[C@@H](C)O[C@@H](COC)C1 379374425 538371041 /nfs/dbraw/zinc/37/10/41/538371041.db2.gz MXZKUFHVCMRSTN-NXEZZACHSA-N 0 3 187.283 1.132 20 0 ADADHN CCCN1C[C@H](C)O[C@H](COC)C1 379374430 538371170 /nfs/dbraw/zinc/37/11/70/538371170.db2.gz MXZKUFHVCMRSTN-UWVGGRQHSA-N 0 3 187.283 1.132 20 0 ADADHN Cc1cc(CNCC2CC2)ncn1 379374402 538372319 /nfs/dbraw/zinc/37/23/19/538372319.db2.gz MWYFGYWHEBAVFZ-UHFFFAOYSA-N 0 3 177.251 1.285 20 0 ADADHN CCCN1C[C@H](C)O[C@@H](COC)C1 379374435 538372359 /nfs/dbraw/zinc/37/23/59/538372359.db2.gz MXZKUFHVCMRSTN-VHSXEESVSA-N 0 3 187.283 1.132 20 0 ADADHN CC1(CCNCc2ncc[nH]2)CC1 379380667 538373636 /nfs/dbraw/zinc/37/36/36/538373636.db2.gz FGOXGVIAHPYZHR-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN C[C@H](NCc1cocn1)C1CCC1 379380530 538375209 /nfs/dbraw/zinc/37/52/09/538375209.db2.gz CAMNQTCAOJUEII-QMMMGPOBSA-N 0 3 180.251 1.953 20 0 ADADHN CC(C)=CCCNCc1ncc[nH]1 379379777 538375784 /nfs/dbraw/zinc/37/57/84/538375784.db2.gz CKCKIQCUAZOOES-UHFFFAOYSA-N 0 3 179.267 1.856 20 0 ADADHN Cc1ccoc1CN(C)[C@H](C)CO 379383404 538376830 /nfs/dbraw/zinc/37/68/30/538376830.db2.gz KWCBNLROQPRARR-SECBINFHSA-N 0 3 183.251 1.401 20 0 ADADHN CC(C)OC1CC(N[C@H](C)CF)C1 379382544 538377555 /nfs/dbraw/zinc/37/75/55/538377555.db2.gz FEZLEVSEILTRJD-XNWIYYODSA-N 0 3 189.274 1.890 20 0 ADADHN C=Cn1cc(CN(CC)CC)cn1 379388016 538380153 /nfs/dbraw/zinc/38/01/53/538380153.db2.gz IQYTZLPBGAVXSR-UHFFFAOYSA-N 0 3 179.267 1.825 20 0 ADADHN c1cc(CNCCN2CCC2)cs1 379385699 538382677 /nfs/dbraw/zinc/38/26/77/538382677.db2.gz UZFXWDCUEMYWNU-UHFFFAOYSA-N 0 3 196.319 1.543 20 0 ADADHN CC(C)CCN(C)Cc1cnc[nH]1 379388150 538383557 /nfs/dbraw/zinc/38/35/57/538383557.db2.gz IYWDMRPGVBGCSC-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CCN(CC)C[C@@](C)(O)C(F)(F)F 379393108 538385795 /nfs/dbraw/zinc/38/57/95/538385795.db2.gz TZVDGWQHNUAHGY-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN CCN(CC)C[C@](C)(O)C(F)(F)F 379393109 538386772 /nfs/dbraw/zinc/38/67/72/538386772.db2.gz TZVDGWQHNUAHGY-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN CCCCCNCc1cn(C)cn1 379394743 538387613 /nfs/dbraw/zinc/38/76/13/538387613.db2.gz YAKHNWZWBGHDRC-UHFFFAOYSA-N 0 3 181.283 1.700 20 0 ADADHN CCCN(CCC)Cc1cn[nH]n1 379393870 538387864 /nfs/dbraw/zinc/38/78/64/538387864.db2.gz VVHHQDDADNKGFG-UHFFFAOYSA-N 0 3 182.271 1.427 20 0 ADADHN CCCN(CCC)Cc1c[nH]nn1 379393870 538387869 /nfs/dbraw/zinc/38/78/69/538387869.db2.gz VVHHQDDADNKGFG-UHFFFAOYSA-N 0 3 182.271 1.427 20 0 ADADHN C[C@@H]1C[C@@H]1CN(C)Cc1cn[nH]c1 379396514 538388532 /nfs/dbraw/zinc/38/85/32/538388532.db2.gz CTIXMXWWAJIPJF-PSASIEDQSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@H]1C[C@@H]1CN(C)Cc1cn[nH]c1 379396516 538388696 /nfs/dbraw/zinc/38/86/96/538388696.db2.gz CTIXMXWWAJIPJF-WCBMZHEXSA-N 0 3 179.267 1.498 20 0 ADADHN CC(C)[C@@H](C)NCc1cn(C)cn1 379399196 538389690 /nfs/dbraw/zinc/38/96/90/538389690.db2.gz GMYCROLYSLAFEQ-SECBINFHSA-N 0 3 181.283 1.554 20 0 ADADHN C[C@H]1C[C@H]1CN(C)Cc1cn[nH]c1 379396517 538390034 /nfs/dbraw/zinc/39/00/34/538390034.db2.gz CTIXMXWWAJIPJF-WPRPVWTQSA-N 0 3 179.267 1.498 20 0 ADADHN CCCCN(C)Cc1c[nH]nc1C 379398481 538390204 /nfs/dbraw/zinc/39/02/04/538390204.db2.gz URZCGGFRLJLBRN-UHFFFAOYSA-N 0 3 181.283 1.950 20 0 ADADHN C[C@@H]1C[C@H]1CN(C)Cc1cn[nH]c1 379396515 538390630 /nfs/dbraw/zinc/39/06/30/538390630.db2.gz CTIXMXWWAJIPJF-SCZZXKLOSA-N 0 3 179.267 1.498 20 0 ADADHN CC(C)[C@H](C)NCc1cn(C)cn1 379399197 538390812 /nfs/dbraw/zinc/39/08/12/538390812.db2.gz GMYCROLYSLAFEQ-VIFPVBQESA-N 0 3 181.283 1.554 20 0 ADADHN COC[C@@H](NCCF)C1CCCC1 379400730 538392174 /nfs/dbraw/zinc/39/21/74/538392174.db2.gz JGNDPEZYPWZPRH-SNVBAGLBSA-N 0 3 189.274 1.751 20 0 ADADHN C1=CCN(CCOC2CCC2)CC1 379401419 538392508 /nfs/dbraw/zinc/39/25/08/538392508.db2.gz KUNRXQCNJLHCMU-UHFFFAOYSA-N 0 3 181.279 1.817 20 0 ADADHN CC[C@H](C)C(=O)N[C@@H](C)CN(C)C 379401397 538392588 /nfs/dbraw/zinc/39/25/88/538392588.db2.gz KSCHKKUSYYQWCP-IUCAKERBSA-N 0 3 186.299 1.099 20 0 ADADHN COCCN(C)Cc1ccn(C)c1 379401803 538392949 /nfs/dbraw/zinc/39/29/49/538392949.db2.gz LOMAKNDFPPTMJA-UHFFFAOYSA-N 0 3 182.267 1.103 20 0 ADADHN CC[C@@H](C)C(=O)N[C@@H](C)CN(C)C 379401396 538393380 /nfs/dbraw/zinc/39/33/80/538393380.db2.gz KSCHKKUSYYQWCP-BDAKNGLRSA-N 0 3 186.299 1.099 20 0 ADADHN COC[C@H](NCCF)C1CCCC1 379400729 538394199 /nfs/dbraw/zinc/39/41/99/538394199.db2.gz JGNDPEZYPWZPRH-JTQLQIEISA-N 0 3 189.274 1.751 20 0 ADADHN C[C@@H]1CCCN1CCOCC(F)F 379405251 538395579 /nfs/dbraw/zinc/39/55/79/538395579.db2.gz SVLRHKPLLKMVBM-MRVPVSSYSA-N 0 3 193.237 1.752 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1c[nH]cn1 379402889 538396282 /nfs/dbraw/zinc/39/62/82/538396282.db2.gz OAQGPRZLYQEKOT-VIFPVBQESA-N 0 3 181.283 1.886 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1cnc[nH]1 379402889 538396286 /nfs/dbraw/zinc/39/62/86/538396286.db2.gz OAQGPRZLYQEKOT-VIFPVBQESA-N 0 3 181.283 1.886 20 0 ADADHN CC[C@@H](NC1CC1)c1ccn(C)n1 379405036 538396307 /nfs/dbraw/zinc/39/63/07/538396307.db2.gz SIUHIGIXPMDOHQ-SECBINFHSA-N 0 3 179.267 1.623 20 0 ADADHN CC[C@H](NC1CC1)c1ccn(C)n1 379405037 538396945 /nfs/dbraw/zinc/39/69/45/538396945.db2.gz SIUHIGIXPMDOHQ-VIFPVBQESA-N 0 3 179.267 1.623 20 0 ADADHN COC1(CNCCF)CCCCC1 379402674 538396969 /nfs/dbraw/zinc/39/69/69/538396969.db2.gz NMPYTYIZGPWMGE-UHFFFAOYSA-N 0 3 189.274 1.895 20 0 ADADHN C[C@H]1CCCN1CCOCC(F)F 379405252 538397969 /nfs/dbraw/zinc/39/79/69/538397969.db2.gz SVLRHKPLLKMVBM-QMMMGPOBSA-N 0 3 193.237 1.752 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1c[nH]cn1 379402888 538398693 /nfs/dbraw/zinc/39/86/93/538398693.db2.gz OAQGPRZLYQEKOT-SECBINFHSA-N 0 3 181.283 1.886 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cnc[nH]1 379402888 538398701 /nfs/dbraw/zinc/39/87/01/538398701.db2.gz OAQGPRZLYQEKOT-SECBINFHSA-N 0 3 181.283 1.886 20 0 ADADHN CC(C)CNC(=O)CN(C)C(C)C 379406469 538399591 /nfs/dbraw/zinc/39/95/91/538399591.db2.gz WJQHZOQPABVKIB-UHFFFAOYSA-N 0 3 186.299 1.099 20 0 ADADHN CCCN(C)CCNC(=O)C(C)C 379407891 538399622 /nfs/dbraw/zinc/39/96/22/538399622.db2.gz ZUVYZLLWKRFTLF-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CC[C@@H](CNCc1ccco1)OC 379408189 538400592 /nfs/dbraw/zinc/40/05/92/538400592.db2.gz AQMCVNZUVQWDBQ-VIFPVBQESA-N 0 3 183.251 1.794 20 0 ADADHN CN(Cc1cn[nH]c1)CC1CCC1 379406191 538401587 /nfs/dbraw/zinc/40/15/87/538401587.db2.gz VUQBZXCLCFMTEM-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CC[C@H](CNCc1ccco1)OC 379408188 538401949 /nfs/dbraw/zinc/40/19/49/538401949.db2.gz AQMCVNZUVQWDBQ-SECBINFHSA-N 0 3 183.251 1.794 20 0 ADADHN CC(C)CN(C)CC(=O)NC(C)C 379409877 538403532 /nfs/dbraw/zinc/40/35/32/538403532.db2.gz DUQDQRPBSOPXRU-UHFFFAOYSA-N 0 3 186.299 1.099 20 0 ADADHN CCNC(=O)CN(C)C(C)(C)CC 379409925 538404321 /nfs/dbraw/zinc/40/43/21/538404321.db2.gz DYKSGFKKNNCTGD-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CC(C)N(Cc1cn[nH]c1)C1CC1 379411205 538405042 /nfs/dbraw/zinc/40/50/42/538405042.db2.gz HSOIUSIHRMNSGL-UHFFFAOYSA-N 0 3 179.267 1.783 20 0 ADADHN CCCNC(=O)CN(C)CC(C)C 379410424 538405373 /nfs/dbraw/zinc/40/53/73/538405373.db2.gz FZCCQIDMIVEXEL-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CO[C@H](C)CN(C)C[C@H]1CCCO1 379412298 538405973 /nfs/dbraw/zinc/40/59/73/538405973.db2.gz JWSVRGYIDILHDH-NXEZZACHSA-N 0 3 187.283 1.132 20 0 ADADHN C[C@@H]1OCCN(CCCCF)[C@@H]1C 379412806 538406050 /nfs/dbraw/zinc/40/60/50/538406050.db2.gz KYSXBZMUOHHUAC-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN C[C@@H]1OCCN(CCCCF)[C@H]1C 379412804 538406082 /nfs/dbraw/zinc/40/60/82/538406082.db2.gz KYSXBZMUOHHUAC-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN CO[C@@H](C)CN(C)C[C@H]1CCCO1 379412299 538406203 /nfs/dbraw/zinc/40/62/03/538406203.db2.gz JWSVRGYIDILHDH-VHSXEESVSA-N 0 3 187.283 1.132 20 0 ADADHN C[C@H]1[C@@H](C)OCCN1CCCCF 379412805 538406717 /nfs/dbraw/zinc/40/67/17/538406717.db2.gz KYSXBZMUOHHUAC-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@H]1CN(CCCF)C[C@H](C)O1 379414680 538406772 /nfs/dbraw/zinc/40/67/72/538406772.db2.gz ONMNPNUFFCXTQD-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@H]1CN(CCCF)C[C@@H](C)O1 379414682 538406855 /nfs/dbraw/zinc/40/68/55/538406855.db2.gz ONMNPNUFFCXTQD-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN C[C@H]1OCCN(CCCCF)[C@@H]1C 379412803 538406917 /nfs/dbraw/zinc/40/69/17/538406917.db2.gz KYSXBZMUOHHUAC-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@@H]1CN(CCCF)C[C@@H](C)O1 379414679 538407114 /nfs/dbraw/zinc/40/71/14/538407114.db2.gz ONMNPNUFFCXTQD-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@@H]1CN(CCCF)C[C@H](C)O1 379414681 538407246 /nfs/dbraw/zinc/40/72/46/538407246.db2.gz ONMNPNUFFCXTQD-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN CCC[C@H](C)N1CCN(CC)CC1 379419423 538410928 /nfs/dbraw/zinc/41/09/28/538410928.db2.gz YCXSBYQNODBRQU-NSHDSACASA-N 0 3 184.327 1.813 20 0 ADADHN CC[C@H](CNCc1cc[nH]c1)OC 379419394 538411029 /nfs/dbraw/zinc/41/10/29/538411029.db2.gz YBAMTLZUFKHKRI-SNVBAGLBSA-N 0 3 182.267 1.529 20 0 ADADHN COC[C@H](NCC1CC1)c1ccco1 379568654 538415445 /nfs/dbraw/zinc/41/54/45/538415445.db2.gz FQXBIRPPIAQLFE-JTQLQIEISA-N 0 3 195.262 1.967 20 0 ADADHN OCC[C@@H]1CCCN1Cc1ccno1 379483732 538411624 /nfs/dbraw/zinc/41/16/24/538411624.db2.gz CGFGUXRCKBEKMV-VIFPVBQESA-N 0 3 196.250 1.021 20 0 ADADHN CC[C@@H](CNCc1cc[nH]c1)OC 379419393 538411683 /nfs/dbraw/zinc/41/16/83/538411683.db2.gz YBAMTLZUFKHKRI-JTQLQIEISA-N 0 3 182.267 1.529 20 0 ADADHN CCC[C@@H](C)N1CCN(CC)CC1 379419422 538411831 /nfs/dbraw/zinc/41/18/31/538411831.db2.gz YCXSBYQNODBRQU-LLVKDONJSA-N 0 3 184.327 1.813 20 0 ADADHN OCC[C@H]1CCCN1Cc1ccno1 379483731 538411854 /nfs/dbraw/zinc/41/18/54/538411854.db2.gz CGFGUXRCKBEKMV-SECBINFHSA-N 0 3 196.250 1.021 20 0 ADADHN Cc1ncccc1CN(C)C[C@H](C)O 379527719 538412428 /nfs/dbraw/zinc/41/24/28/538412428.db2.gz HGIQHZDLTBWSJO-VIFPVBQESA-N 0 3 194.278 1.203 20 0 ADADHN Cc1cncc([C@@H](C)NC[C@H](C)O)c1 379542527 538412473 /nfs/dbraw/zinc/41/24/73/538412473.db2.gz RJJIIDONZUWCBN-VHSXEESVSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1cncc([C@H](C)NC[C@@H](C)O)c1 379542528 538412711 /nfs/dbraw/zinc/41/27/11/538412711.db2.gz RJJIIDONZUWCBN-ZJUUUORDSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1cncc([C@@H](C)NC[C@@H](C)O)c1 379542525 538412752 /nfs/dbraw/zinc/41/27/52/538412752.db2.gz RJJIIDONZUWCBN-NXEZZACHSA-N 0 3 194.278 1.421 20 0 ADADHN CC[C@H](CCO)N[C@H](C)c1cn[nH]c1 379500216 538412804 /nfs/dbraw/zinc/41/28/04/538412804.db2.gz HXNZEPLDUXJHBM-PSASIEDQSA-N 0 3 197.282 1.221 20 0 ADADHN CC[C@@H](CCO)N[C@@H](C)c1cn[nH]c1 379500219 538412932 /nfs/dbraw/zinc/41/29/32/538412932.db2.gz HXNZEPLDUXJHBM-WPRPVWTQSA-N 0 3 197.282 1.221 20 0 ADADHN Cc1cc(CN[C@H](CO)C(C)C)on1 379544319 538412943 /nfs/dbraw/zinc/41/29/43/538412943.db2.gz UKUSPDFLVLOOSO-SNVBAGLBSA-N 0 3 198.266 1.090 20 0 ADADHN CCN(Cc1cn[nH]c1)CC(C)(C)O 379516680 538413033 /nfs/dbraw/zinc/41/30/33/538413033.db2.gz AMSFENWHNQADCG-UHFFFAOYSA-N 0 3 197.282 1.003 20 0 ADADHN Cc1cncc([C@H](C)NC[C@H](C)O)c1 379542526 538413112 /nfs/dbraw/zinc/41/31/12/538413112.db2.gz RJJIIDONZUWCBN-UWVGGRQHSA-N 0 3 194.278 1.421 20 0 ADADHN CCCCNCc1cn(C(C)C)nn1 379544338 538413205 /nfs/dbraw/zinc/41/32/05/538413205.db2.gz ULLSFEZNHNDLNO-UHFFFAOYSA-N 0 3 196.298 1.749 20 0 ADADHN CC[C@@H](CCO)N[C@H](C)c1cn[nH]c1 379500217 538413295 /nfs/dbraw/zinc/41/32/95/538413295.db2.gz HXNZEPLDUXJHBM-SCZZXKLOSA-N 0 3 197.282 1.221 20 0 ADADHN CC[C@H](CCO)N[C@@H](C)c1cn[nH]c1 379500218 538413379 /nfs/dbraw/zinc/41/33/79/538413379.db2.gz HXNZEPLDUXJHBM-WCBMZHEXSA-N 0 3 197.282 1.221 20 0 ADADHN COc1cccc(CNCCCF)n1 379508189 538413894 /nfs/dbraw/zinc/41/38/94/538413894.db2.gz ODAMDUZJOCKPNQ-UHFFFAOYSA-N 0 3 198.241 1.539 20 0 ADADHN OCC[C@@H](NCC1CC1)c1ccco1 379570374 538414434 /nfs/dbraw/zinc/41/44/34/538414434.db2.gz COONVQSMFMDAAZ-SNVBAGLBSA-N 0 3 195.262 1.703 20 0 ADADHN CCN[C@H](C)C(=O)N1CCC[C@@H](C)C1 379569804 538414596 /nfs/dbraw/zinc/41/45/96/538414596.db2.gz GIYXODWIHUEADB-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN COCC1(NCc2cccn2C)CC1 379570262 538415013 /nfs/dbraw/zinc/41/50/13/538415013.db2.gz GQOZZBDIBNNWQR-UHFFFAOYSA-N 0 3 194.278 1.294 20 0 ADADHN COC[C@H](C)CNCc1ccoc1C 379564127 538415103 /nfs/dbraw/zinc/41/51/03/538415103.db2.gz AOXSYRYAFMPPFN-SECBINFHSA-N 0 3 197.278 1.960 20 0 ADADHN OCC[C@H](NCC1CC1)c1ccco1 379570371 538415270 /nfs/dbraw/zinc/41/52/70/538415270.db2.gz COONVQSMFMDAAZ-JTQLQIEISA-N 0 3 195.262 1.703 20 0 ADADHN CCC(CC)N[C@H](C)c1nnnn1C 379568085 538415294 /nfs/dbraw/zinc/41/52/94/538415294.db2.gz FDIIQRJMRMZYMU-SSDOTTSWSA-N 0 3 197.286 1.049 20 0 ADADHN CCN[C@H](C)C(=O)N1CCC[C@H](C)C1 379569812 538415361 /nfs/dbraw/zinc/41/53/61/538415361.db2.gz GIYXODWIHUEADB-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN COC[C@@H](NCC1CC1)c1ccco1 379568655 538415396 /nfs/dbraw/zinc/41/53/96/538415396.db2.gz FQXBIRPPIAQLFE-SNVBAGLBSA-N 0 3 195.262 1.967 20 0 ADADHN COC[C@@H](C)CNCc1ccoc1C 379564134 538415421 /nfs/dbraw/zinc/41/54/21/538415421.db2.gz AOXSYRYAFMPPFN-VIFPVBQESA-N 0 3 197.278 1.960 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCC[C@H](C)C1 379569805 538415639 /nfs/dbraw/zinc/41/56/39/538415639.db2.gz GIYXODWIHUEADB-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CCC(CC)N[C@@H](C)c1nnnn1C 379568087 538415721 /nfs/dbraw/zinc/41/57/21/538415721.db2.gz FDIIQRJMRMZYMU-ZETCQYMHSA-N 0 3 197.286 1.049 20 0 ADADHN Cc1c[nH]nc1CNCC1CCCC1 379570447 538415737 /nfs/dbraw/zinc/41/57/37/538415737.db2.gz CSFLXPVUAIYGLI-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCC[C@@H](C)C1 379569822 538415773 /nfs/dbraw/zinc/41/57/73/538415773.db2.gz GIYXODWIHUEADB-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1cn[nH]c1CNCc1ccoc1 379574756 538415903 /nfs/dbraw/zinc/41/59/03/538415903.db2.gz KWEBVWIVTQRNBB-UHFFFAOYSA-N 0 3 191.234 1.601 20 0 ADADHN Cc1ccc(C(C)(C)NCCO)cn1 379577789 538416101 /nfs/dbraw/zinc/41/61/01/538416101.db2.gz RRPQZIDYLWTPSN-UHFFFAOYSA-N 0 3 194.278 1.207 20 0 ADADHN Cc1c[nH]nc1CNC[C@@H]1CC1(C)C 379574203 538416495 /nfs/dbraw/zinc/41/64/95/538416495.db2.gz JWUIBDRZAHBOQL-VIFPVBQESA-N 0 3 193.294 1.854 20 0 ADADHN CC[C@H](NCCOC)c1ccncc1 379572636 538416644 /nfs/dbraw/zinc/41/66/44/538416644.db2.gz HBUKFUNPRKJKGT-NSHDSACASA-N 0 3 194.278 1.769 20 0 ADADHN Cc1c[nH]nc1CNC[C@H]1CC1(C)C 379574201 538416804 /nfs/dbraw/zinc/41/68/04/538416804.db2.gz JWUIBDRZAHBOQL-SECBINFHSA-N 0 3 193.294 1.854 20 0 ADADHN CC[C@@H](NCCOC)c1ccncc1 379572635 538416846 /nfs/dbraw/zinc/41/68/46/538416846.db2.gz HBUKFUNPRKJKGT-LLVKDONJSA-N 0 3 194.278 1.769 20 0 ADADHN Cc1ccc(CNCCN2CCC2)o1 379577115 538416937 /nfs/dbraw/zinc/41/69/37/538416937.db2.gz PXEVCXHMMRINGR-UHFFFAOYSA-N 0 3 194.278 1.383 20 0 ADADHN COCCCCNCc1n[nH]cc1C 379574262 538417044 /nfs/dbraw/zinc/41/70/44/538417044.db2.gz JFLRPKHGXFMBFJ-UHFFFAOYSA-N 0 3 197.282 1.234 20 0 ADADHN CC[C@H](COC)NCc1n[nH]cc1C 379586698 538417467 /nfs/dbraw/zinc/41/74/67/538417467.db2.gz RHOURSCVFIZKNU-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN CCCCN[C@@H](C)c1ccc(=O)[nH]n1 379588695 538417668 /nfs/dbraw/zinc/41/76/68/538417668.db2.gz ULGAGWFIEDFAGO-QMMMGPOBSA-N 0 3 195.266 1.633 20 0 ADADHN CCCc1cccc(CNCCO)c1 379580923 538417686 /nfs/dbraw/zinc/41/76/86/538417686.db2.gz JZPMWVYQRQYAEX-UHFFFAOYSA-N 0 3 193.290 1.721 20 0 ADADHN COCC1(NCc2ccn(C)c2)CC1 379588233 538417747 /nfs/dbraw/zinc/41/77/47/538417747.db2.gz SZUCNSMPXQPGMF-UHFFFAOYSA-N 0 3 194.278 1.294 20 0 ADADHN CCCCN[C@H](C)c1ccc(=O)[nH]n1 379588694 538418229 /nfs/dbraw/zinc/41/82/29/538418229.db2.gz ULGAGWFIEDFAGO-MRVPVSSYSA-N 0 3 195.266 1.633 20 0 ADADHN COCCC(C)(C)NCc1ncc[nH]1 379583518 538418312 /nfs/dbraw/zinc/41/83/12/538418312.db2.gz NGLDFQPBQONEMU-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CCCNC(=O)CN[C@@H]1CCC1(C)C 379587435 538418529 /nfs/dbraw/zinc/41/85/29/538418529.db2.gz SGBZHTNOMCRGKC-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@@H](COC)NCc1n[nH]cc1C 379586700 538418711 /nfs/dbraw/zinc/41/87/11/538418711.db2.gz RHOURSCVFIZKNU-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN CCCNC(=O)CN[C@H]1CCC1(C)C 379587436 538418734 /nfs/dbraw/zinc/41/87/34/538418734.db2.gz SGBZHTNOMCRGKC-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN Cc1c[nH]nc1CNCCC1(C)CC1 379580013 538419225 /nfs/dbraw/zinc/41/92/25/538419225.db2.gz XVYDYLHSGZBQSI-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN CC[C@@H](CNCc1n[nH]cc1C)OC 379595892 538419405 /nfs/dbraw/zinc/41/94/05/538419405.db2.gz FAKTXHYNDFSRRB-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN Cc1occc1CN[C@H](C)CCCO 379599192 538419655 /nfs/dbraw/zinc/41/96/55/538419655.db2.gz IXULJHAMTIGSAK-SECBINFHSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CN[C@@H](C)CCCO 379599193 538420105 /nfs/dbraw/zinc/42/01/05/538420105.db2.gz IXULJHAMTIGSAK-VIFPVBQESA-N 0 3 197.278 1.839 20 0 ADADHN COC(C)(C)CNCc1n[nH]cc1C 379594673 538420219 /nfs/dbraw/zinc/42/02/19/538420219.db2.gz CYAGFOFYDZITDC-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN OCCNCc1ccc2occc2c1 379598917 538420235 /nfs/dbraw/zinc/42/02/35/538420235.db2.gz IGPGYHPCSPPSAQ-UHFFFAOYSA-N 0 3 191.230 1.515 20 0 ADADHN CCN(C)C(=O)CN[C@H]1CCC1(C)C 379590977 538420311 /nfs/dbraw/zinc/42/03/11/538420311.db2.gz WWOOBJUTJQSGGC-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](CNCc1n[nH]cc1C)OC 379595888 538420415 /nfs/dbraw/zinc/42/04/15/538420415.db2.gz FAKTXHYNDFSRRB-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN CCN(C)C(=O)CN[C@@H]1CCC1(C)C 379590974 538420611 /nfs/dbraw/zinc/42/06/11/538420611.db2.gz WWOOBJUTJQSGGC-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCOCCCNCc1n[nH]cc1C 379594097 538420654 /nfs/dbraw/zinc/42/06/54/538420654.db2.gz CIMJUHLBUONDCK-UHFFFAOYSA-N 0 3 197.282 1.234 20 0 ADADHN CC[C@H](CNCc1ccn(C)c1)OC 379599272 538420749 /nfs/dbraw/zinc/42/07/49/538420749.db2.gz JCUJMXYBBLPOFD-LLVKDONJSA-N 0 3 196.294 1.540 20 0 ADADHN CC[C@@H](CNCc1ccn(C)c1)OC 379599273 538420970 /nfs/dbraw/zinc/42/09/70/538420970.db2.gz JCUJMXYBBLPOFD-NSHDSACASA-N 0 3 196.294 1.540 20 0 ADADHN C/C=C/C[C@H](CO)NCc1ccco1 379603459 538421135 /nfs/dbraw/zinc/42/11/35/538421135.db2.gz NZDPXHUOSUUBFW-VMZHVLLKSA-N 0 3 195.262 1.696 20 0 ADADHN C[C@@H](O)CCCN(C)Cc1ccoc1 379599901 538421285 /nfs/dbraw/zinc/42/12/85/538421285.db2.gz KIFACGDKILBDFR-SNVBAGLBSA-N 0 3 197.278 1.872 20 0 ADADHN C/C=C\C[C@H](CO)NCc1ccco1 379603457 538421290 /nfs/dbraw/zinc/42/12/90/538421290.db2.gz NZDPXHUOSUUBFW-MXQLGCADSA-N 0 3 195.262 1.696 20 0 ADADHN C[C@H](O)CCCN(C)Cc1ccoc1 379599900 538421572 /nfs/dbraw/zinc/42/15/72/538421572.db2.gz KIFACGDKILBDFR-JTQLQIEISA-N 0 3 197.278 1.872 20 0 ADADHN C/C=C\C[C@@H](CO)NCc1ccco1 379603460 538421613 /nfs/dbraw/zinc/42/16/13/538421613.db2.gz NZDPXHUOSUUBFW-ZMWSMAPVSA-N 0 3 195.262 1.696 20 0 ADADHN CC(C)NC(=O)CNC1(C2CC2)CC1 379599932 538421840 /nfs/dbraw/zinc/42/18/40/538421840.db2.gz KKITXFHLINTLGN-UHFFFAOYSA-N 0 3 196.294 1.043 20 0 ADADHN Cc1c[nH]nc1CNC1(C2CC2)CC1 379657239 538426088 /nfs/dbraw/zinc/42/60/88/538426088.db2.gz MGHWSXLGEQBGJN-UHFFFAOYSA-N 0 3 191.278 1.750 20 0 ADADHN C/C=C/C[C@@H](CO)NCc1ccco1 379603458 538422447 /nfs/dbraw/zinc/42/24/47/538422447.db2.gz NZDPXHUOSUUBFW-PBKGFPTLSA-N 0 3 195.262 1.696 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1ncnn1C 379620052 538422650 /nfs/dbraw/zinc/42/26/50/538422650.db2.gz DGWKPDCUCZHJRC-SFYZADRCSA-N 0 3 194.282 1.264 20 0 ADADHN CC(C)N[C@H](c1nncn1C)C(C)C 379611186 538422681 /nfs/dbraw/zinc/42/26/81/538422681.db2.gz UEVWKYZJBOOWMW-VIFPVBQESA-N 0 3 196.298 1.510 20 0 ADADHN CC[C@]1(NCc2cn[nH]c2)CCOC1 379614371 538422835 /nfs/dbraw/zinc/42/28/35/538422835.db2.gz XOQHBRFKXOQKNC-JTQLQIEISA-N 0 3 195.266 1.068 20 0 ADADHN CC[C@@H](NCCCF)c1cnn(C)c1 379610965 538423039 /nfs/dbraw/zinc/42/30/39/538423039.db2.gz UDYLVUYDZLOVLC-SNVBAGLBSA-N 0 3 199.273 1.820 20 0 ADADHN CC[C@H](NCCCF)c1cnn(C)c1 379610964 538423105 /nfs/dbraw/zinc/42/31/05/538423105.db2.gz UDYLVUYDZLOVLC-JTQLQIEISA-N 0 3 199.273 1.820 20 0 ADADHN CC[C@@H](NCCCF)c1ccn(C)n1 379612885 538423099 /nfs/dbraw/zinc/42/30/99/538423099.db2.gz WGOFQUHGKSGUCU-SECBINFHSA-N 0 3 199.273 1.820 20 0 ADADHN CC(C)C(C)(C)NCc1ncnn1C 379618322 538423131 /nfs/dbraw/zinc/42/31/31/538423131.db2.gz BJNACBMQYDSYKC-UHFFFAOYSA-N 0 3 196.298 1.339 20 0 ADADHN Cc1c[nH]nc1CNC[C@H](C)C1CC1 379622042 538423187 /nfs/dbraw/zinc/42/31/87/538423187.db2.gz GLSDLFFFMYSLFE-QMMMGPOBSA-N 0 3 193.294 1.854 20 0 ADADHN OC[C@@H](CC1CC1)NCc1ccco1 379619485 538423204 /nfs/dbraw/zinc/42/32/04/538423204.db2.gz CRBLCMSHBCGTDD-SNVBAGLBSA-N 0 3 195.262 1.530 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1ncccc1F 379612440 538423296 /nfs/dbraw/zinc/42/32/96/538423296.db2.gz VOHREWWNVHYSDP-RKDXNWHRSA-N 0 3 194.253 1.966 20 0 ADADHN Cc1c[nH]nc1CNC[C@@H](C)C1CC1 379622041 538423507 /nfs/dbraw/zinc/42/35/07/538423507.db2.gz GLSDLFFFMYSLFE-MRVPVSSYSA-N 0 3 193.294 1.854 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1ncnn1C 379620049 538423595 /nfs/dbraw/zinc/42/35/95/538423595.db2.gz DGWKPDCUCZHJRC-HTQZYQBOSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1ncccc1F 379612438 538423613 /nfs/dbraw/zinc/42/36/13/538423613.db2.gz VOHREWWNVHYSDP-DTWKUNHWSA-N 0 3 194.253 1.966 20 0 ADADHN C[C@H](N[C@@H](C)C1CC1)c1ncnn1C 379620053 538423716 /nfs/dbraw/zinc/42/37/16/538423716.db2.gz DGWKPDCUCZHJRC-YUMQZZPRSA-N 0 3 194.282 1.264 20 0 ADADHN CC[C@@H](NCC1CC1)c1ccn(C)n1 379661639 538427072 /nfs/dbraw/zinc/42/70/72/538427072.db2.gz QIYZLTYYJBFGBP-SNVBAGLBSA-N 0 3 193.294 1.871 20 0 ADADHN OC[C@H](CC1CC1)NCc1ccco1 379619484 538423912 /nfs/dbraw/zinc/42/39/12/538423912.db2.gz CRBLCMSHBCGTDD-JTQLQIEISA-N 0 3 195.262 1.530 20 0 ADADHN CC(C)N[C@@H](c1nncn1C)C(C)C 379611178 538423926 /nfs/dbraw/zinc/42/39/26/538423926.db2.gz UEVWKYZJBOOWMW-SECBINFHSA-N 0 3 196.298 1.510 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1ncccc1F 379612437 538423932 /nfs/dbraw/zinc/42/39/32/538423932.db2.gz VOHREWWNVHYSDP-BDAKNGLRSA-N 0 3 194.253 1.966 20 0 ADADHN CC[C@H](NCCCF)c1ccn(C)n1 379612886 538423940 /nfs/dbraw/zinc/42/39/40/538423940.db2.gz WGOFQUHGKSGUCU-VIFPVBQESA-N 0 3 199.273 1.820 20 0 ADADHN C[C@H]1C[C@H]1CNCc1ncccc1F 379612439 538423972 /nfs/dbraw/zinc/42/39/72/538423972.db2.gz VOHREWWNVHYSDP-IUCAKERBSA-N 0 3 194.253 1.966 20 0 ADADHN C[C@H](N[C@H](C)c1ncnn1C)C1CC1 379620051 538424031 /nfs/dbraw/zinc/42/40/31/538424031.db2.gz DGWKPDCUCZHJRC-JGVFFNPUSA-N 0 3 194.282 1.264 20 0 ADADHN Cc1cc(CNCC(C)(C)C)ncn1 379618594 538424075 /nfs/dbraw/zinc/42/40/75/538424075.db2.gz BPZMVVJNMLHQLB-UHFFFAOYSA-N 0 3 193.294 1.921 20 0 ADADHN CC[C@@]1(NCc2cn[nH]c2)CCOC1 379614374 538424114 /nfs/dbraw/zinc/42/41/14/538424114.db2.gz XOQHBRFKXOQKNC-SNVBAGLBSA-N 0 3 195.266 1.068 20 0 ADADHN Cn1ccnc1[C@@H](NC1CC1)C1CC1 379642148 538424420 /nfs/dbraw/zinc/42/44/20/538424420.db2.gz VUWBIRTXFMSCSM-JTQLQIEISA-N 0 3 191.278 1.623 20 0 ADADHN Cc1ccoc1CN(C)CC(C)(C)O 379626513 538424439 /nfs/dbraw/zinc/42/44/39/538424439.db2.gz KKDDHOCWOWOBNE-UHFFFAOYSA-N 0 3 197.278 1.791 20 0 ADADHN CC(C)=CCCNCc1cnn(C)c1 379643329 538424720 /nfs/dbraw/zinc/42/47/20/538424720.db2.gz WNSCVJAUKJTXMN-UHFFFAOYSA-N 0 3 193.294 1.866 20 0 ADADHN OC1CC(CCNCc2ccco2)C1 379642832 538424916 /nfs/dbraw/zinc/42/49/16/538424916.db2.gz WGGZMCPGJVTIHC-UHFFFAOYSA-N 0 3 195.262 1.530 20 0 ADADHN Cn1ccnc1[C@H](NC1CC1)C1CC1 379642149 538424920 /nfs/dbraw/zinc/42/49/20/538424920.db2.gz VUWBIRTXFMSCSM-SNVBAGLBSA-N 0 3 191.278 1.623 20 0 ADADHN CC(C)(NCCO)c1cccc(F)c1 379632166 538425004 /nfs/dbraw/zinc/42/50/04/538425004.db2.gz OPTJCUNIIDLEOL-UHFFFAOYSA-N 0 3 197.253 1.643 20 0 ADADHN CC[C@H](CNCc1c[nH]nc1C)OC 379628359 538425021 /nfs/dbraw/zinc/42/50/21/538425021.db2.gz LMYUWFLZXQWKSQ-SNVBAGLBSA-N 0 3 197.282 1.233 20 0 ADADHN FCCNCC1Cc2ccccc2C1 379642873 538425167 /nfs/dbraw/zinc/42/51/67/538425167.db2.gz WHQGWDKXSJMGRH-UHFFFAOYSA-N 0 3 193.265 1.961 20 0 ADADHN CC(C)=CCN[C@H](C(N)=O)C(C)(C)C 379635287 538425275 /nfs/dbraw/zinc/42/52/75/538425275.db2.gz QONFILRIWZMRNQ-SECBINFHSA-N 0 3 198.310 1.442 20 0 ADADHN CC[C@@H](CNCc1c[nH]nc1C)OC 379628358 538425354 /nfs/dbraw/zinc/42/53/54/538425354.db2.gz LMYUWFLZXQWKSQ-JTQLQIEISA-N 0 3 197.282 1.233 20 0 ADADHN Cc1cncc([C@H](C)NCCCO)c1 379653355 538425838 /nfs/dbraw/zinc/42/58/38/538425838.db2.gz HYSFUOGAYHOQCQ-JTQLQIEISA-N 0 3 194.278 1.423 20 0 ADADHN Cn1cc(CNCCC2(C)CC2)nn1 379654730 538426077 /nfs/dbraw/zinc/42/60/77/538426077.db2.gz JKDHZADCJVMMHS-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN C[C@H](CCCCO)NCc1ccco1 379652124 538426246 /nfs/dbraw/zinc/42/62/46/538426246.db2.gz GJLLYWXGKXEZTD-SNVBAGLBSA-N 0 3 197.278 1.920 20 0 ADADHN Cc1c[nH]nc1CNCCCC1CC1 379652318 538426352 /nfs/dbraw/zinc/42/63/52/538426352.db2.gz GPYLPBYCTKFMAR-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN Cc1cncc([C@@H](C)NCCCO)c1 379653356 538426401 /nfs/dbraw/zinc/42/64/01/538426401.db2.gz HYSFUOGAYHOQCQ-SNVBAGLBSA-N 0 3 194.278 1.423 20 0 ADADHN C[C@@H](CCCCO)NCc1ccco1 379652123 538426418 /nfs/dbraw/zinc/42/64/18/538426418.db2.gz GJLLYWXGKXEZTD-JTQLQIEISA-N 0 3 197.278 1.920 20 0 ADADHN C[C@@H](CCC1CC1)NC1(C(N)=O)CC1 379656392 538426443 /nfs/dbraw/zinc/42/64/43/538426443.db2.gz LEHMJQGBQBXMSH-QMMMGPOBSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@H](CCC1CC1)NC1(C(N)=O)CC1 379656391 538426534 /nfs/dbraw/zinc/42/65/34/538426534.db2.gz LEHMJQGBQBXMSH-MRVPVSSYSA-N 0 3 196.294 1.173 20 0 ADADHN NC(=O)C1(NCCC2CCCC2)CC1 379649817 538426746 /nfs/dbraw/zinc/42/67/46/538426746.db2.gz DADRLFDQUBCXSF-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN CC[C@H](NCC1CC1)c1ccn(C)n1 379661638 538427132 /nfs/dbraw/zinc/42/71/32/538427132.db2.gz QIYZLTYYJBFGBP-JTQLQIEISA-N 0 3 193.294 1.871 20 0 ADADHN CC[C@@H](C(N)=O)N(CC)CCC1CC1 385327714 538428545 /nfs/dbraw/zinc/42/85/45/538428545.db2.gz MLICVDHPSSESJW-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C(N)=O)N(CC)CCC1CC1 385327715 538428864 /nfs/dbraw/zinc/42/88/64/538428864.db2.gz MLICVDHPSSESJW-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H]1CN(CCC)CCO1 388444926 538432881 /nfs/dbraw/zinc/43/28/81/538432881.db2.gz VDVPQIXYCLZCFX-JTQLQIEISA-N 0 3 171.284 1.897 20 0 ADADHN CCCN(C)Cc1c(C)n[nH]c1C 388303898 538430932 /nfs/dbraw/zinc/43/09/32/538430932.db2.gz OQYYGGLXXDBKEG-UHFFFAOYSA-N 0 3 181.283 1.868 20 0 ADADHN Cc1cc(CNCC2(C)CC2)[nH]n1 388264505 538429979 /nfs/dbraw/zinc/42/99/79/538429979.db2.gz BLBRLOURFATRCK-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN CCNC(=O)CN(CC)[C@@H](C)CC 388225604 538430339 /nfs/dbraw/zinc/43/03/39/538430339.db2.gz KFKVVHCNEBMDHQ-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCNC(=O)CN(CC)[C@H](C)CC 388225603 538430461 /nfs/dbraw/zinc/43/04/61/538430461.db2.gz KFKVVHCNEBMDHQ-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN OCCNC1(c2ccccc2)CC1 388281592 538430771 /nfs/dbraw/zinc/43/07/71/538430771.db2.gz MSYIFKSPAIZZQI-UHFFFAOYSA-N 0 3 177.247 1.258 20 0 ADADHN CCCN(CC)Cc1ccnn1C 388304985 538431243 /nfs/dbraw/zinc/43/12/43/538431243.db2.gz PHRNZBRSSBJUEJ-UHFFFAOYSA-N 0 3 181.283 1.652 20 0 ADADHN CCCC[C@H](C)NC1(C(N)=O)CC1 388274275 538431319 /nfs/dbraw/zinc/43/13/19/538431319.db2.gz IITDCCDSGBLQPB-QMMMGPOBSA-N 0 3 184.283 1.173 20 0 ADADHN CCCC[C@@H](C)NC1(C(N)=O)CC1 388274274 538431341 /nfs/dbraw/zinc/43/13/41/538431341.db2.gz IITDCCDSGBLQPB-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN CCN(Cc1cnc[nH]1)C1CC1 388403678 538431599 /nfs/dbraw/zinc/43/15/99/538431599.db2.gz QJVHXTDLAVXQQI-UHFFFAOYSA-N 0 3 165.240 1.394 20 0 ADADHN C/C=C/CN[C@H](C)c1cn[nH]c1 388403097 538431734 /nfs/dbraw/zinc/43/17/34/538431734.db2.gz PUFXSOHJQWTBBA-MPJRPATESA-N 0 3 165.240 1.636 20 0 ADADHN C/C=C\CN[C@H](C)c1cn[nH]c1 388403099 538431763 /nfs/dbraw/zinc/43/17/63/538431763.db2.gz PUFXSOHJQWTBBA-TUUFMJSCSA-N 0 3 165.240 1.636 20 0 ADADHN CC(C)=CCN(C)C1(CO)CC1 388382579 538431808 /nfs/dbraw/zinc/43/18/08/538431808.db2.gz SXGAJCGWHIKEND-UHFFFAOYSA-N 0 3 169.268 1.409 20 0 ADADHN Cc1cc(CNCCCF)sn1 388391758 538431844 /nfs/dbraw/zinc/43/18/44/538431844.db2.gz CLCVVYJYPDKHIV-UHFFFAOYSA-N 0 3 188.271 1.901 20 0 ADADHN C/C=C\CN[C@@H](C)c1cn[nH]c1 388403100 538431897 /nfs/dbraw/zinc/43/18/97/538431897.db2.gz PUFXSOHJQWTBBA-VEMNSZJBSA-N 0 3 165.240 1.636 20 0 ADADHN C[C@@H](NCCF)[C@@]1(C)CCCO1 388409858 538432027 /nfs/dbraw/zinc/43/20/27/538432027.db2.gz WZZCOYDLHMMVMW-RKDXNWHRSA-N 0 3 175.247 1.503 20 0 ADADHN C[C@@H](NCCF)[C@]1(C)CCCO1 388409853 538432169 /nfs/dbraw/zinc/43/21/69/538432169.db2.gz WZZCOYDLHMMVMW-BDAKNGLRSA-N 0 3 175.247 1.503 20 0 ADADHN C[C@H](NCCF)[C@]1(C)CCCO1 388409855 538432175 /nfs/dbraw/zinc/43/21/75/538432175.db2.gz WZZCOYDLHMMVMW-IUCAKERBSA-N 0 3 175.247 1.503 20 0 ADADHN CCN(C)Cc1ccn(CC)c1 388433862 538432520 /nfs/dbraw/zinc/43/25/20/538432520.db2.gz OVDMRRCMKROWAF-UHFFFAOYSA-N 0 3 166.268 1.960 20 0 ADADHN C[C@H](NCCF)[C@@]1(C)CCCO1 388409854 538432289 /nfs/dbraw/zinc/43/22/89/538432289.db2.gz WZZCOYDLHMMVMW-DTWKUNHWSA-N 0 3 175.247 1.503 20 0 ADADHN COCC1(N(C)CCCF)CC1 388434445 538432312 /nfs/dbraw/zinc/43/23/12/538432312.db2.gz PDLNHQNAPRVFGE-UHFFFAOYSA-N 0 3 175.247 1.457 20 0 ADADHN CCCCN(C)Cc1cn[nH]c1 388484381 538432801 /nfs/dbraw/zinc/43/28/01/538432801.db2.gz YGLGDJIOKPUAQE-UHFFFAOYSA-N 0 3 167.256 1.642 20 0 ADADHN CCC[C@@H]1CN(CCC)CCO1 388444929 538433033 /nfs/dbraw/zinc/43/30/33/538433033.db2.gz VDVPQIXYCLZCFX-SNVBAGLBSA-N 0 3 171.284 1.897 20 0 ADADHN CCC[C@@]1(NCCF)CCOC1 388523779 538433137 /nfs/dbraw/zinc/43/31/37/538433137.db2.gz YNNUONNMDQHUPF-SECBINFHSA-N 0 3 175.247 1.505 20 0 ADADHN C[C@H](NCc1ccon1)C1CCC1 388590087 538433845 /nfs/dbraw/zinc/43/38/45/538433845.db2.gz AETBDOMSZVHTAY-QMMMGPOBSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@@H](NCc1ccon1)C1CCC1 388590086 538433924 /nfs/dbraw/zinc/43/39/24/538433924.db2.gz AETBDOMSZVHTAY-MRVPVSSYSA-N 0 3 180.251 1.953 20 0 ADADHN CC(C)[C@H]1C[C@@H](NCCF)CCO1 388598406 538434384 /nfs/dbraw/zinc/43/43/84/538434384.db2.gz DSFMYPWGYFFVNK-VHSXEESVSA-N 0 3 189.274 1.749 20 0 ADADHN CC[C@@H]1CC[C@H]1NCc1cc[nH]n1 388598197 538434391 /nfs/dbraw/zinc/43/43/91/538434391.db2.gz PIOIUFKXDLIOCT-PSASIEDQSA-N 0 3 179.267 1.688 20 0 ADADHN CO[C@@H]1[C@@H](C)[C@H](NCCF)C1(C)C 388604157 538434482 /nfs/dbraw/zinc/43/44/82/538434482.db2.gz UPJJHUMSTSZYNS-XHNCKOQMSA-N 0 3 189.274 1.605 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1nnc[nH]1 388597916 538434487 /nfs/dbraw/zinc/43/44/87/538434487.db2.gz DKBHNYMBZCGJMS-QMMMGPOBSA-N 0 3 182.271 1.281 20 0 ADADHN CC(C)[C@@H]1C[C@@H](NCCF)CCO1 388598404 538434522 /nfs/dbraw/zinc/43/45/22/538434522.db2.gz DSFMYPWGYFFVNK-UWVGGRQHSA-N 0 3 189.274 1.749 20 0 ADADHN CO[C@@H]1[C@H](C)[C@@H](NCCF)C1(C)C 388604156 538434572 /nfs/dbraw/zinc/43/45/72/538434572.db2.gz UPJJHUMSTSZYNS-IWSPIJDZSA-N 0 3 189.274 1.605 20 0 ADADHN CO[C@@H]1[C@@H](C)[C@@H](NCCF)C1(C)C 388604151 538434580 /nfs/dbraw/zinc/43/45/80/538434580.db2.gz UPJJHUMSTSZYNS-DJLDLDEBSA-N 0 3 189.274 1.605 20 0 ADADHN CC(C)[C@@H]1C[C@H](NCCF)CCO1 388598413 538434634 /nfs/dbraw/zinc/43/46/34/538434634.db2.gz DSFMYPWGYFFVNK-ZJUUUORDSA-N 0 3 189.274 1.749 20 0 ADADHN CC(C)[C@H]1C[C@H](NCCF)CCO1 388598397 538434662 /nfs/dbraw/zinc/43/46/62/538434662.db2.gz DSFMYPWGYFFVNK-NXEZZACHSA-N 0 3 189.274 1.749 20 0 ADADHN CC[C@@H]1CC[C@@H]1NCc1cc[nH]n1 388598198 538434690 /nfs/dbraw/zinc/43/46/90/538434690.db2.gz PIOIUFKXDLIOCT-SCZZXKLOSA-N 0 3 179.267 1.688 20 0 ADADHN CC[C@H]1CC[C@H]1NCc1cc[nH]n1 388598199 538434751 /nfs/dbraw/zinc/43/47/51/538434751.db2.gz PIOIUFKXDLIOCT-WCBMZHEXSA-N 0 3 179.267 1.688 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1nnc[nH]1 388597915 538434802 /nfs/dbraw/zinc/43/48/02/538434802.db2.gz DKBHNYMBZCGJMS-MRVPVSSYSA-N 0 3 182.271 1.281 20 0 ADADHN CC[C@H]1CC[C@@H]1NCc1cc[nH]n1 388598200 538434830 /nfs/dbraw/zinc/43/48/30/538434830.db2.gz PIOIUFKXDLIOCT-WPRPVWTQSA-N 0 3 179.267 1.688 20 0 ADADHN CO[C@@H]1[C@H](C)[C@H](NCCF)C1(C)C 388604152 538434832 /nfs/dbraw/zinc/43/48/32/538434832.db2.gz UPJJHUMSTSZYNS-HRDYMLBCSA-N 0 3 189.274 1.605 20 0 ADADHN CCCCN(CC)CC(=O)NCC 388627558 538435198 /nfs/dbraw/zinc/43/51/98/538435198.db2.gz JOJPMAYWQXLLJQ-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN Cc1cncc([C@H](C)NCCO)c1 388656714 538435509 /nfs/dbraw/zinc/43/55/09/538435509.db2.gz UGTHYHMHXWIURL-VIFPVBQESA-N 0 3 180.251 1.033 20 0 ADADHN c1n[nH]cc1CNC1(C2CC2)CC1 388637060 538435612 /nfs/dbraw/zinc/43/56/12/538435612.db2.gz NBZCSGUPAYCUHF-UHFFFAOYSA-N 0 3 177.251 1.442 20 0 ADADHN Cc1cncc([C@@H](C)NCCO)c1 388656710 538435692 /nfs/dbraw/zinc/43/56/92/538435692.db2.gz UGTHYHMHXWIURL-SECBINFHSA-N 0 3 180.251 1.033 20 0 ADADHN C[C@H](N[C@H](C)CCCO)c1cn[nH]c1 388669824 538436023 /nfs/dbraw/zinc/43/60/23/538436023.db2.gz GGFVDWORPMPXQG-BDAKNGLRSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@@H](CCCO)N[C@H](C)c1cn[nH]c1 388669825 538436120 /nfs/dbraw/zinc/43/61/20/538436120.db2.gz GGFVDWORPMPXQG-DTWKUNHWSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@@H](CCCO)N[C@@H](C)c1cn[nH]c1 388669827 538436273 /nfs/dbraw/zinc/43/62/73/538436273.db2.gz GGFVDWORPMPXQG-IUCAKERBSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@H](CCCO)N[C@H](C)c1cn[nH]c1 388669828 538436343 /nfs/dbraw/zinc/43/63/43/538436343.db2.gz GGFVDWORPMPXQG-RKDXNWHRSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@@H](C(N)=O)N(C)CCC(C)(C)C 388730475 538436800 /nfs/dbraw/zinc/43/68/00/538436800.db2.gz VFNLRMPZOLFHAW-QMMMGPOBSA-N 0 3 186.299 1.228 20 0 ADADHN Cc1ccc(CCCNCCF)cn1 388822531 538437712 /nfs/dbraw/zinc/43/77/12/538437712.db2.gz KLRGDFPFEPNWSN-UHFFFAOYSA-N 0 3 196.269 1.882 20 0 ADADHN CC(C)(NCC(N)=O)c1cccs1 388797807 538437749 /nfs/dbraw/zinc/43/77/49/538437749.db2.gz NSFIHEUSLDOIFR-UHFFFAOYSA-N 0 3 198.291 1.058 20 0 ADADHN COCC1(NCc2cc[nH]c2)CC1 388887426 538438221 /nfs/dbraw/zinc/43/82/21/538438221.db2.gz KJBYABAAAPZWDY-UHFFFAOYSA-N 0 3 180.251 1.283 20 0 ADADHN Cc1nn(C)cc1[C@@H](C)NCCCF 388842216 538438283 /nfs/dbraw/zinc/43/82/83/538438283.db2.gz XHYPZARQTZKYRL-MRVPVSSYSA-N 0 3 199.273 1.739 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1cn[nH]c1 388892176 538438288 /nfs/dbraw/zinc/43/82/88/538438288.db2.gz LNPIFRIZJSCPRN-VIFPVBQESA-N 0 3 181.283 1.886 20 0 ADADHN C[C@@H](C1CC1)N(C)Cc1cn[nH]c1 388852964 538438401 /nfs/dbraw/zinc/43/84/01/538438401.db2.gz BTJZPELWKQFCPF-QMMMGPOBSA-N 0 3 179.267 1.640 20 0 ADADHN Cc1nn(C)cc1[C@H](C)NCCCF 388842217 538438403 /nfs/dbraw/zinc/43/84/03/538438403.db2.gz XHYPZARQTZKYRL-QMMMGPOBSA-N 0 3 199.273 1.739 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cn[nH]c1 388892174 538438417 /nfs/dbraw/zinc/43/84/17/538438417.db2.gz LNPIFRIZJSCPRN-SECBINFHSA-N 0 3 181.283 1.886 20 0 ADADHN CCN(CC)Cc1cnn(CC)c1 388896663 538438974 /nfs/dbraw/zinc/43/89/74/538438974.db2.gz MLPXTPMFMFSQSJ-UHFFFAOYSA-N 0 3 181.283 1.745 20 0 ADADHN Cc1c[nH]nc1CNC(C)(C)C1CC1 389202840 538439224 /nfs/dbraw/zinc/43/92/24/538439224.db2.gz FHMPEVXQSGGSCV-UHFFFAOYSA-N 0 3 193.294 1.996 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1n[nH]cc1C 389217584 538439282 /nfs/dbraw/zinc/43/92/82/538439282.db2.gz LHLSXXXGNKAQPV-RKDXNWHRSA-N 0 3 197.282 1.231 20 0 ADADHN CC(C)=CCCNCc1ccn(C)n1 389228064 538439288 /nfs/dbraw/zinc/43/92/88/538439288.db2.gz RQABNVNPASXDPL-UHFFFAOYSA-N 0 3 193.294 1.866 20 0 ADADHN CC1(C)CC(CNCc2ncc[nH]2)C1 389225793 538439364 /nfs/dbraw/zinc/43/93/64/538439364.db2.gz PYATWOHXCKEFHQ-UHFFFAOYSA-N 0 3 193.294 1.936 20 0 ADADHN Cn1cnc(CNC2(C3CC3)CC2)c1 389221928 538439440 /nfs/dbraw/zinc/43/94/40/538439440.db2.gz NQOVLZLYRUWWAL-UHFFFAOYSA-N 0 3 191.278 1.452 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1n[nH]cc1C 389217583 538439444 /nfs/dbraw/zinc/43/94/44/538439444.db2.gz LHLSXXXGNKAQPV-BDAKNGLRSA-N 0 3 197.282 1.231 20 0 ADADHN COCCC(C)(C)NCc1cc[nH]n1 389207822 538439457 /nfs/dbraw/zinc/43/94/57/538439457.db2.gz HIGVKAGMZBGVOJ-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1cc(C)n[nH]1 389268665 538440167 /nfs/dbraw/zinc/44/01/67/538440167.db2.gz KPTJYWQZEGCJCE-RKDXNWHRSA-N 0 3 197.282 1.231 20 0 ADADHN OCCNC1(c2ccccc2)CCC1 389249464 538439812 /nfs/dbraw/zinc/43/98/12/538439812.db2.gz CVBNQEDTNLDCJO-UHFFFAOYSA-N 0 3 191.274 1.648 20 0 ADADHN C[C@@H](NCC1CC1)c1ccc(=O)[nH]n1 389266809 538439822 /nfs/dbraw/zinc/43/98/22/538439822.db2.gz JUESHUGOBJFCKM-SSDOTTSWSA-N 0 3 193.250 1.243 20 0 ADADHN CCCNC(=O)CNC1(C2CC2)CC1 389243274 538439919 /nfs/dbraw/zinc/43/99/19/538439919.db2.gz ZKHOORCBBPGZME-UHFFFAOYSA-N 0 3 196.294 1.045 20 0 ADADHN C[C@H](NCC1CC1)c1ccc(=O)[nH]n1 389266810 538440151 /nfs/dbraw/zinc/44/01/51/538440151.db2.gz JUESHUGOBJFCKM-ZETCQYMHSA-N 0 3 193.250 1.243 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1cc(C)[nH]n1 389268665 538440166 /nfs/dbraw/zinc/44/01/66/538440166.db2.gz KPTJYWQZEGCJCE-RKDXNWHRSA-N 0 3 197.282 1.231 20 0 ADADHN CC[C@H](C)[C@H](C)NCc1cn(C)cn1 389293205 538440189 /nfs/dbraw/zinc/44/01/89/538440189.db2.gz IVBLMXMRGZECQX-UWVGGRQHSA-N 0 3 195.310 1.944 20 0 ADADHN CC(C)[C@H](C)N[C@H](C)c1ncnn1C 389277668 538440444 /nfs/dbraw/zinc/44/04/44/538440444.db2.gz PYBJMDQZAIXSHY-DTWKUNHWSA-N 0 3 196.298 1.510 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ncnn1C 389284162 538440324 /nfs/dbraw/zinc/44/03/24/538440324.db2.gz UFQAKJNFGAFPRR-XHNCKOQMSA-N 0 3 194.282 1.122 20 0 ADADHN CC[C@H](C)[C@@H](C)NCc1cn(C)cn1 389293206 538440451 /nfs/dbraw/zinc/44/04/51/538440451.db2.gz IVBLMXMRGZECQX-VHSXEESVSA-N 0 3 195.310 1.944 20 0 ADADHN CO[C@H](C)[C@H](C)NCc1cc(C)[nH]n1 389268663 538440416 /nfs/dbraw/zinc/44/04/16/538440416.db2.gz KPTJYWQZEGCJCE-DTWKUNHWSA-N 0 3 197.282 1.231 20 0 ADADHN OC1(CCNCc2ccco2)CCC1 389268161 538440454 /nfs/dbraw/zinc/44/04/54/538440454.db2.gz KLRLKHTUQIEIAC-UHFFFAOYSA-N 0 3 195.262 1.674 20 0 ADADHN CO[C@H](C)[C@H](C)NCc1cc(C)n[nH]1 389268663 538440418 /nfs/dbraw/zinc/44/04/18/538440418.db2.gz KPTJYWQZEGCJCE-DTWKUNHWSA-N 0 3 197.282 1.231 20 0 ADADHN CC[C@@H](C)[C@@H](C)NCc1cn(C)cn1 389293204 538440439 /nfs/dbraw/zinc/44/04/39/538440439.db2.gz IVBLMXMRGZECQX-NXEZZACHSA-N 0 3 195.310 1.944 20 0 ADADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ncnn1C 389283829 538440461 /nfs/dbraw/zinc/44/04/61/538440461.db2.gz UFQAKJNFGAFPRR-CIUDSAMLSA-N 0 3 194.282 1.122 20 0 ADADHN CC(C)[C@@H](C)N[C@@H](C)c1ncnn1C 389277661 538440641 /nfs/dbraw/zinc/44/06/41/538440641.db2.gz PYBJMDQZAIXSHY-BDAKNGLRSA-N 0 3 196.298 1.510 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1cc(C)[nH]n1 389268662 538440673 /nfs/dbraw/zinc/44/06/73/538440673.db2.gz KPTJYWQZEGCJCE-BDAKNGLRSA-N 0 3 197.282 1.231 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1cc(C)n[nH]1 389268662 538440675 /nfs/dbraw/zinc/44/06/75/538440675.db2.gz KPTJYWQZEGCJCE-BDAKNGLRSA-N 0 3 197.282 1.231 20 0 ADADHN CC[C@@H](C)[C@H](C)NCc1cn(C)cn1 389293207 538440698 /nfs/dbraw/zinc/44/06/98/538440698.db2.gz IVBLMXMRGZECQX-ZJUUUORDSA-N 0 3 195.310 1.944 20 0 ADADHN C[C@H](NC[C@H]1C[C@H]1C)c1ncnn1C 389283836 538440715 /nfs/dbraw/zinc/44/07/15/538440715.db2.gz UFQAKJNFGAFPRR-HRDYMLBCSA-N 0 3 194.282 1.122 20 0 ADADHN C[C@@H](NCCN1CCC1)c1ccco1 389349282 538440893 /nfs/dbraw/zinc/44/08/93/538440893.db2.gz NJIILHKVOGTBQK-SNVBAGLBSA-N 0 3 194.278 1.636 20 0 ADADHN CC[C@@H](C)N(CCO)Cc1ccco1 389355927 538440984 /nfs/dbraw/zinc/44/09/84/538440984.db2.gz QJRRIGSRGTXDTP-SNVBAGLBSA-N 0 3 197.278 1.872 20 0 ADADHN CC[C@H](C)N(CCO)Cc1ccco1 389355926 538441014 /nfs/dbraw/zinc/44/10/14/538441014.db2.gz QJRRIGSRGTXDTP-JTQLQIEISA-N 0 3 197.278 1.872 20 0 ADADHN CCCC(=O)NCC1=CCN(C)CC1 392199469 538441026 /nfs/dbraw/zinc/44/10/26/538441026.db2.gz HEMWBABYAIYLTO-UHFFFAOYSA-N 0 3 196.294 1.165 20 0 ADADHN COCCN[C@@H](C)c1cncc(C)c1 389341550 538441098 /nfs/dbraw/zinc/44/10/98/538441098.db2.gz YJKMHBRCIBZSCG-JTQLQIEISA-N 0 3 194.278 1.687 20 0 ADADHN C[C@H](NCCN1CCC1)c1ccco1 389349273 538441106 /nfs/dbraw/zinc/44/11/06/538441106.db2.gz NJIILHKVOGTBQK-JTQLQIEISA-N 0 3 194.278 1.636 20 0 ADADHN COCCN[C@H](C)c1cncc(C)c1 389341551 538441193 /nfs/dbraw/zinc/44/11/93/538441193.db2.gz YJKMHBRCIBZSCG-SNVBAGLBSA-N 0 3 194.278 1.687 20 0 ADADHN CN(Cc1ccco1)CC1(O)CCC1 669367659 538442260 /nfs/dbraw/zinc/44/22/60/538442260.db2.gz FYRUFODTVCEWHE-UHFFFAOYSA-N 0 3 195.262 1.626 20 0 ADADHN CCN1CCC(=COC)CC1 669371526 538442306 /nfs/dbraw/zinc/44/23/06/538442306.db2.gz DBQWEZVSHDHYNT-UHFFFAOYSA-N 0 3 155.241 1.632 20 0 ADADHN CC(C)CN1CCN(CCF)CC1 675055074 538448544 /nfs/dbraw/zinc/44/85/44/538448544.db2.gz MWAWDEAIIYDOIJ-UHFFFAOYSA-N 0 3 188.290 1.230 20 0 ADADHN CCNCc1cnn(C2CCC2)c1 675053841 538448335 /nfs/dbraw/zinc/44/83/35/538448335.db2.gz NPTAWEPKGVVZPJ-UHFFFAOYSA-N 0 3 179.267 1.718 20 0 ADADHN NC1(c2c(F)cccc2F)CC(O)C1 675058446 538449080 /nfs/dbraw/zinc/44/90/80/538449080.db2.gz GYILNIIZNFBVKM-UHFFFAOYSA-N 0 3 199.200 1.274 20 0 ADADHN NC1(c2ccc(F)cc2F)CC(O)C1 675058436 538449293 /nfs/dbraw/zinc/44/92/93/538449293.db2.gz GFTIPDFMQRDSIV-UHFFFAOYSA-N 0 3 199.200 1.274 20 0 ADADHN NC1(c2cc(F)cc(F)c2)CC(O)C1 675058791 538449492 /nfs/dbraw/zinc/44/94/92/538449492.db2.gz XUXDORPACCCLKX-UHFFFAOYSA-N 0 3 199.200 1.274 20 0 ADADHN CCn1ccc(CNC(C)C)n1 70709041 541302933 /nfs/dbraw/zinc/30/29/33/541302933.db2.gz VPFSCTZCCGPWTL-UHFFFAOYSA-N 0 3 167.256 1.401 20 0 ADADHN C[C@@H]1CC[C@@]2(C1)NCCS2 87602457 541303429 /nfs/dbraw/zinc/30/34/29/541303429.db2.gz JNTNDRAGKGRIHV-HTQZYQBOSA-N 0 3 157.282 1.839 20 0 ADADHN C[C@H]1CC[C@@]2(C1)NCCS2 87602458 541303468 /nfs/dbraw/zinc/30/34/68/541303468.db2.gz JNTNDRAGKGRIHV-JGVFFNPUSA-N 0 3 157.282 1.839 20 0 ADADHN CCCN(C)C/C=C/C(=O)OCC 87638679 541303657 /nfs/dbraw/zinc/30/36/57/541303657.db2.gz UUHZZIBSWXUNMD-VOTSOKGWSA-N 0 3 185.267 1.448 20 0 ADADHN C[C@H]1CC[C@]2(C1)NCCS2 87602460 541303786 /nfs/dbraw/zinc/30/37/86/541303786.db2.gz JNTNDRAGKGRIHV-YUMQZZPRSA-N 0 3 157.282 1.839 20 0 ADADHN C[C@@H]1CC[C@]2(C1)NCCS2 87602459 541304383 /nfs/dbraw/zinc/30/43/83/541304383.db2.gz JNTNDRAGKGRIHV-SFYZADRCSA-N 0 3 157.282 1.839 20 0 ADADHN CCC(=O)CNC1CCCC1 141903761 541305914 /nfs/dbraw/zinc/30/59/14/541305914.db2.gz AHMKJIVRWPOUTF-UHFFFAOYSA-N 0 3 155.241 1.498 20 0 ADADHN CCN1CCN(C(C)C)C[C@@H]1C 144492578 541307224 /nfs/dbraw/zinc/30/72/24/541307224.db2.gz WKEVNKNDMWWEDZ-JTQLQIEISA-N 0 3 170.300 1.421 20 0 ADADHN CC[C@@](C)(N)C(=O)CC1CC1 158011004 541309386 /nfs/dbraw/zinc/30/93/86/541309386.db2.gz LDXPAGTUFJYWDJ-SECBINFHSA-N 0 3 155.241 1.483 20 0 ADADHN Cc1nn(C)cc1CNCCCF 157702415 541308274 /nfs/dbraw/zinc/30/82/74/541308274.db2.gz DUAXNLGLCBLWAH-UHFFFAOYSA-N 0 3 185.246 1.178 20 0 ADADHN Cc1cccnc1CN(C)C[C@H](C)O 157725088 541308316 /nfs/dbraw/zinc/30/83/16/541308316.db2.gz RIZJBGVBMAFXAW-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN CCN(CCO)Cc1ncccc1C 157724452 541308356 /nfs/dbraw/zinc/30/83/56/541308356.db2.gz YXHDJIIJHHJTGK-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN CCc1nn(C)cc1CNCCCF 157722215 541308552 /nfs/dbraw/zinc/30/85/52/541308552.db2.gz DSHWIXAPTHBZIL-UHFFFAOYSA-N 0 3 199.273 1.432 20 0 ADADHN CCc1nn(C)cc1CNC1CC1 157719145 541308593 /nfs/dbraw/zinc/30/85/93/541308593.db2.gz YXEZSOSVCKLODP-UHFFFAOYSA-N 0 3 179.267 1.235 20 0 ADADHN CCc1nn(C)cc1CNC(C)C 157719776 541308676 /nfs/dbraw/zinc/30/86/76/541308676.db2.gz VKNYFOCMDMIYRZ-UHFFFAOYSA-N 0 3 181.283 1.481 20 0 ADADHN CC[C@](C)(N)C(=O)CC1CC1 158010861 541309345 /nfs/dbraw/zinc/30/93/45/541309345.db2.gz LDXPAGTUFJYWDJ-VIFPVBQESA-N 0 3 155.241 1.483 20 0 ADADHN CC[C@H](NCCO)c1ccc(F)cn1 158796461 541309910 /nfs/dbraw/zinc/30/99/10/541309910.db2.gz NUDXIWXJGFXEIR-VIFPVBQESA-N 0 3 198.241 1.254 20 0 ADADHN CC[C@@H](NCCO)c1ccc(F)cn1 158796613 541310014 /nfs/dbraw/zinc/31/00/14/541310014.db2.gz NUDXIWXJGFXEIR-SECBINFHSA-N 0 3 198.241 1.254 20 0 ADADHN CCOCCN1CC=CCC1 201130108 541314247 /nfs/dbraw/zinc/31/42/47/541314247.db2.gz YVHPNECEZVEGNJ-UHFFFAOYSA-N 0 3 155.241 1.285 20 0 ADADHN C[C@@H]1CC[C@H](C(=O)NCCN(C)C)C1 201264019 541314423 /nfs/dbraw/zinc/31/44/23/541314423.db2.gz DQIAUPXTSACHFT-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN CCN1CCN(CCC(C)C)CC1 202691667 541315141 /nfs/dbraw/zinc/31/51/41/541315141.db2.gz JGEBBELESZIFQT-UHFFFAOYSA-N 0 3 184.327 1.670 20 0 ADADHN CC(C)(C)C(=O)[C@H](N)C1CC1 202624828 541315165 /nfs/dbraw/zinc/31/51/65/541315165.db2.gz WNOYQYIPQBFHHP-SSDOTTSWSA-N 0 3 155.241 1.339 20 0 ADADHN CCC(CC)CN1CCOCC1 204720543 541315838 /nfs/dbraw/zinc/31/58/38/541315838.db2.gz KDEDGZVCHDPORC-UHFFFAOYSA-N 0 3 171.284 1.755 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 216144870 541316400 /nfs/dbraw/zinc/31/64/00/541316400.db2.gz IRVNKWFAYIHCMR-LPEHRKFASA-N 0 3 198.310 1.289 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 216144917 541316790 /nfs/dbraw/zinc/31/67/90/541316790.db2.gz IRVNKWFAYIHCMR-GUBZILKMSA-N 0 3 198.310 1.289 20 0 ADADHN Cc1nn(C(C)C)c2c1CCNC2 215848513 541316951 /nfs/dbraw/zinc/31/69/51/541316951.db2.gz AQQIQYIMNIXPIN-UHFFFAOYSA-N 0 3 179.267 1.418 20 0 ADADHN CCc1nn(C(C)C)c2c1CCNC2 215849224 541317030 /nfs/dbraw/zinc/31/70/30/541317030.db2.gz QRSBYQLABAQBBI-UHFFFAOYSA-N 0 3 193.294 1.672 20 0 ADADHN CCCC[C@@H]1NCCc2ncn(C)c21 219394020 541317942 /nfs/dbraw/zinc/31/79/42/541317942.db2.gz WEUFSXGFTFMESH-VIFPVBQESA-N 0 3 193.294 1.797 20 0 ADADHN CCCC[C@H]1NCCc2ncn(C)c21 219393947 541317968 /nfs/dbraw/zinc/31/79/68/541317968.db2.gz WEUFSXGFTFMESH-SECBINFHSA-N 0 3 193.294 1.797 20 0 ADADHN CCCC[C@]1(C)NCCc2nc[nH]c21 219393459 541318067 /nfs/dbraw/zinc/31/80/67/541318067.db2.gz SERUJJDMDLQDMA-NSHDSACASA-N 0 3 193.294 1.961 20 0 ADADHN Cc1cnc(N2CCNCC2)cc1C 219761467 541318092 /nfs/dbraw/zinc/31/80/92/541318092.db2.gz RPUJZALNTHLPKL-UHFFFAOYSA-N 0 3 191.278 1.108 20 0 ADADHN CCCC[C@@]1(C)NCCc2nc[nH]c21 219393381 541318410 /nfs/dbraw/zinc/31/84/10/541318410.db2.gz SERUJJDMDLQDMA-LLVKDONJSA-N 0 3 193.294 1.961 20 0 ADADHN CCCCC(=O)C1(N)CCC1 226778596 541319040 /nfs/dbraw/zinc/31/90/40/541319040.db2.gz WOHMCZFXRHDLBQ-UHFFFAOYSA-N 0 3 155.241 1.627 20 0 ADADHN c1coc(CNCC[C@@H]2CCOC2)c1 231707800 541321084 /nfs/dbraw/zinc/32/10/84/541321084.db2.gz GQZPTRXPWJCKTC-SNVBAGLBSA-N 0 3 195.262 1.796 20 0 ADADHN c1coc(CNCC[C@H]2CCOC2)c1 231707805 541321568 /nfs/dbraw/zinc/32/15/68/541321568.db2.gz GQZPTRXPWJCKTC-JTQLQIEISA-N 0 3 195.262 1.796 20 0 ADADHN CCC(C)(C)CNCc1ccn(C)n1 231608794 541321582 /nfs/dbraw/zinc/32/15/82/541321582.db2.gz YOHJFYSJZRJZRY-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN CCc1nn2c(CN)ccnc2c1C 234188490 541325221 /nfs/dbraw/zinc/32/52/21/541325221.db2.gz VRXILEDASWQMIU-UHFFFAOYSA-N 0 3 190.250 1.059 20 0 ADADHN Cc1sccc1CN[C@H]1CCOC1 306483098 541329008 /nfs/dbraw/zinc/32/90/08/541329008.db2.gz ORNBYBKLIFQMFS-JTQLQIEISA-N 0 3 197.303 1.935 20 0 ADADHN Cc1sccc1CN[C@@H]1CCOC1 306483105 541329056 /nfs/dbraw/zinc/32/90/56/541329056.db2.gz ORNBYBKLIFQMFS-SNVBAGLBSA-N 0 3 197.303 1.935 20 0 ADADHN CC(C)CC(=O)[C@H](N)C1CC1 307655020 541331426 /nfs/dbraw/zinc/33/14/26/541331426.db2.gz NQXTUXPZKQKVQH-SECBINFHSA-N 0 3 155.241 1.339 20 0 ADADHN CC(C)CC(=O)[C@@H](N)C1CC1 307655021 541331439 /nfs/dbraw/zinc/33/14/39/541331439.db2.gz NQXTUXPZKQKVQH-VIFPVBQESA-N 0 3 155.241 1.339 20 0 ADADHN C[C@@H](N)C(=O)CCC1CCC1 307662498 541331606 /nfs/dbraw/zinc/33/16/06/541331606.db2.gz WEGJWKXMTJSPIE-SSDOTTSWSA-N 0 3 155.241 1.483 20 0 ADADHN C[C@H](N)C(=O)CCC1CCC1 307662499 541331662 /nfs/dbraw/zinc/33/16/62/541331662.db2.gz WEGJWKXMTJSPIE-ZETCQYMHSA-N 0 3 155.241 1.483 20 0 ADADHN OCCCN1CCC(C(F)F)CC1 379257640 541336831 /nfs/dbraw/zinc/33/68/31/541336831.db2.gz NQGXNUKSFPRCPJ-UHFFFAOYSA-N 0 3 193.237 1.346 20 0 ADADHN COCC(C)(C)CNCCF 379292933 541337407 /nfs/dbraw/zinc/33/74/07/541337407.db2.gz LEKDOVZBUUKXAN-UHFFFAOYSA-N 0 3 163.236 1.218 20 0 ADADHN CCN(Cc1c[nH]nc1C)C1CC1 381840239 541339409 /nfs/dbraw/zinc/33/94/09/541339409.db2.gz DIDJOOZQNOSQPW-UHFFFAOYSA-N 0 3 179.267 1.702 20 0 ADADHN C[C@H]1C[C@H]1CNCc1ccc(F)cn1 381631284 541339716 /nfs/dbraw/zinc/33/97/16/541339716.db2.gz XXYDTSSNZICVAG-IUCAKERBSA-N 0 3 194.253 1.966 20 0 ADADHN Cc1cc(CN[C@H](C)C(C)C)ncn1 381630039 541339915 /nfs/dbraw/zinc/33/99/15/541339915.db2.gz RAAZJAOFSSECQN-SNVBAGLBSA-N 0 3 193.294 1.919 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1ccc(F)cn1 381631285 541340059 /nfs/dbraw/zinc/34/00/59/541340059.db2.gz XXYDTSSNZICVAG-RKDXNWHRSA-N 0 3 194.253 1.966 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1ccc(F)cn1 381631275 541340100 /nfs/dbraw/zinc/34/01/00/541340100.db2.gz XXYDTSSNZICVAG-BDAKNGLRSA-N 0 3 194.253 1.966 20 0 ADADHN Cc1cc(CN[C@@H](C)C(C)C)ncn1 381630033 541340108 /nfs/dbraw/zinc/34/01/08/541340108.db2.gz RAAZJAOFSSECQN-JTQLQIEISA-N 0 3 193.294 1.919 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1ccc(F)cn1 381631276 541340270 /nfs/dbraw/zinc/34/02/70/541340270.db2.gz XXYDTSSNZICVAG-DTWKUNHWSA-N 0 3 194.253 1.966 20 0 ADADHN CCN(CC)[C@H](C)c1cnccn1 388349337 541341620 /nfs/dbraw/zinc/34/16/20/541341620.db2.gz NTHQDDQFCVPFFP-SECBINFHSA-N 0 3 179.267 1.879 20 0 ADADHN OC[C@]1(F)CCN(CCCCF)C1 388355771 541341944 /nfs/dbraw/zinc/34/19/44/541341944.db2.gz QLRXZKYDWFARAL-VIFPVBQESA-N 0 3 193.237 1.142 20 0 ADADHN Cc1c[nH]nc1CNCC1CCC1 388355256 541342000 /nfs/dbraw/zinc/34/20/00/541342000.db2.gz QHSJBZRZHCKYPO-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN OC[C@@]1(F)CCN(CCCCF)C1 388355769 541341921 /nfs/dbraw/zinc/34/19/21/541341921.db2.gz QLRXZKYDWFARAL-SECBINFHSA-N 0 3 193.237 1.142 20 0 ADADHN CCN(CC)[C@@H](C)c1cnccn1 388349338 541342329 /nfs/dbraw/zinc/34/23/29/541342329.db2.gz NTHQDDQFCVPFFP-VIFPVBQESA-N 0 3 179.267 1.879 20 0 ADADHN c1csc(CNC[C@@H]2CCOC2)n1 41012060 756963457 /nfs/dbraw/zinc/96/34/57/756963457.db2.gz QCBFNSRVKRGSEQ-QMMMGPOBSA-N 0 3 198.291 1.269 20 0 ADADHN c1csc(CNC[C@H]2CCOC2)n1 41012062 756963596 /nfs/dbraw/zinc/96/35/96/756963596.db2.gz QCBFNSRVKRGSEQ-MRVPVSSYSA-N 0 3 198.291 1.269 20 0 ADADHN Cc1nnc(SCCN(C)C)o1 41368579 756963738 /nfs/dbraw/zinc/96/37/38/756963738.db2.gz ZCXSWFGCGXDDQI-UHFFFAOYSA-N 0 3 187.268 1.032 20 0 ADADHN [O-]c1ccccc1C[NH2+]C1CSC1 75122674 756973450 /nfs/dbraw/zinc/97/34/50/756973450.db2.gz RFHJMTYFJAFCEP-UHFFFAOYSA-N 0 3 195.287 1.597 20 0 ADADHN C[C@H](CO)[NH2+]Cc1ccc([O-])c(F)c1 232421561 757037645 /nfs/dbraw/zinc/03/76/45/757037645.db2.gz WYXAIIMBOXKCMU-SSDOTTSWSA-N 0 3 199.225 1.002 20 0 ADADHN C[C@@H](CO)[NH2+]Cc1ccc([O-])c(F)c1 232421559 757037718 /nfs/dbraw/zinc/03/77/18/757037718.db2.gz WYXAIIMBOXKCMU-ZETCQYMHSA-N 0 3 199.225 1.002 20 0 ADADHN OCCCCN1CCC(F)(F)CC1 259653118 757042536 /nfs/dbraw/zinc/04/25/36/757042536.db2.gz XMQWHPYJGUGWPK-UHFFFAOYSA-N 0 3 193.237 1.490 20 0 ADADHN CC(C)=CC(=O)N1CCCN(C)CC1 300779229 757054064 /nfs/dbraw/zinc/05/40/64/757054064.db2.gz UGXVIHHCJRSHJD-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN CN(CCCF)Cc1ccc(N)nc1 716805549 674026246 /nfs/dbraw/zinc/02/62/46/674026246.db2.gz LGXQOMCUXGCJGF-UHFFFAOYSA-N 0 3 197.257 1.455 20 0 ADADHN CN(CCCF)Cc1ccnc(N)c1 716809898 674026279 /nfs/dbraw/zinc/02/62/79/674026279.db2.gz STPURJCZKPXADP-UHFFFAOYSA-N 0 3 197.257 1.455 20 0 ADADHN Cc1c[nH]nc1CNC1(C)CC1 306999332 757083627 /nfs/dbraw/zinc/08/36/27/757083627.db2.gz ZVRIBXYGJNSLCL-UHFFFAOYSA-N 0 3 165.240 1.360 20 0 ADADHN Cc1nnc([C@H](C)NC(C)C)[nH]1 307310952 757088850 /nfs/dbraw/zinc/08/88/50/757088850.db2.gz IRIIEUNAUNHWBT-LURJTMIESA-N 0 3 168.244 1.172 20 0 ADADHN Cc1cc(CN(C)C(C)C)n[nH]1 307751158 757099214 /nfs/dbraw/zinc/09/92/14/757099214.db2.gz MWUYNBVIMXKDIE-UHFFFAOYSA-N 0 3 167.256 1.558 20 0 ADADHN CC(C)(CF)NCC1=CCCOC1 308161962 757102359 /nfs/dbraw/zinc/10/23/59/757102359.db2.gz VMAJBOZSVNSOCS-UHFFFAOYSA-N 0 3 187.258 1.671 20 0 ADADHN CC1(CNC(=O)[C@H](N)CC2CC2)CC1 308493340 757110548 /nfs/dbraw/zinc/11/05/48/757110548.db2.gz RUYJFQXALDHIRJ-SECBINFHSA-N 0 3 196.294 1.030 20 0 ADADHN CC1(CNC(=O)[C@@H](N)CC2CC2)CC1 308493342 757111102 /nfs/dbraw/zinc/11/11/02/757111102.db2.gz RUYJFQXALDHIRJ-VIFPVBQESA-N 0 3 196.294 1.030 20 0 ADADHN CCCNC(=O)[C@@H](N)C[C@H](C)CC 400810417 572012117 /nfs/dbraw/zinc/01/21/17/572012117.db2.gz WXUHTTUYIQUZEO-BDAKNGLRSA-N 0 3 186.299 1.276 20 0 ADADHN C1=C(CN2CC3(CC3)C2)COCC1 334741718 757118931 /nfs/dbraw/zinc/11/89/31/757118931.db2.gz FKIJTOXUCQOVDU-UHFFFAOYSA-N 0 3 179.263 1.429 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)N(C)CC 400813399 757133116 /nfs/dbraw/zinc/13/31/16/757133116.db2.gz ZHRUPODQVQDFQX-IUCAKERBSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)NC(C)C 400806716 757133863 /nfs/dbraw/zinc/13/38/63/757133863.db2.gz UKFQBWANRRKGOY-IUCAKERBSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)NC1CC1 400801481 757136243 /nfs/dbraw/zinc/13/62/43/757136243.db2.gz QIHAFLIBPURLRG-APPZFPTMSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)N(C)CC 400813397 757136348 /nfs/dbraw/zinc/13/63/48/757136348.db2.gz ZHRUPODQVQDFQX-BDAKNGLRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)NC1CC1 400801486 757136395 /nfs/dbraw/zinc/13/63/95/757136395.db2.gz QIHAFLIBPURLRG-VXNVDRBHSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)NCC1CC1 400860979 757136769 /nfs/dbraw/zinc/13/67/69/757136769.db2.gz CMMBOKKBFCQHMH-WPRPVWTQSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)NC(C)C 400806715 757137585 /nfs/dbraw/zinc/13/75/85/757137585.db2.gz UKFQBWANRRKGOY-DTWKUNHWSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)NC(C)C 400806717 757138320 /nfs/dbraw/zinc/13/83/20/757138320.db2.gz UKFQBWANRRKGOY-RKDXNWHRSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)NC1CC1 400801484 757139210 /nfs/dbraw/zinc/13/92/10/757139210.db2.gz QIHAFLIBPURLRG-IONNQARKSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)N(C)CC 400813398 757139265 /nfs/dbraw/zinc/13/92/65/757139265.db2.gz ZHRUPODQVQDFQX-DTWKUNHWSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)N(C)CC 400813400 757139435 /nfs/dbraw/zinc/13/94/35/757139435.db2.gz ZHRUPODQVQDFQX-RKDXNWHRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)NCC1CC1 400860976 757139820 /nfs/dbraw/zinc/13/98/20/757139820.db2.gz CMMBOKKBFCQHMH-SCZZXKLOSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)NC1CC1 400801483 757140035 /nfs/dbraw/zinc/14/00/35/757140035.db2.gz QIHAFLIBPURLRG-CBAPKCEASA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)NC(C)C 400806714 757140778 /nfs/dbraw/zinc/14/07/78/757140778.db2.gz UKFQBWANRRKGOY-BDAKNGLRSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)NCC1CC1 400860978 757141465 /nfs/dbraw/zinc/14/14/65/757141465.db2.gz CMMBOKKBFCQHMH-WCBMZHEXSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)NCC1CC1 400860975 757142009 /nfs/dbraw/zinc/14/20/09/757142009.db2.gz CMMBOKKBFCQHMH-PSASIEDQSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)N(C)C1CC1 400967977 757144079 /nfs/dbraw/zinc/14/40/79/757144079.db2.gz UBQLHFKSQTZKEJ-WCBMZHEXSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)N1CCCC1 400940068 757144993 /nfs/dbraw/zinc/14/49/93/757144993.db2.gz NATICEVVGMCKEO-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)N(C)C1CC1 400967974 757145674 /nfs/dbraw/zinc/14/56/74/757145674.db2.gz UBQLHFKSQTZKEJ-SCZZXKLOSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)N1CCCC1 400940075 757145966 /nfs/dbraw/zinc/14/59/66/757145966.db2.gz NATICEVVGMCKEO-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)N1CCCC1 400940072 757146500 /nfs/dbraw/zinc/14/65/00/757146500.db2.gz NATICEVVGMCKEO-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)N(C)C1CC1 400967973 757146629 /nfs/dbraw/zinc/14/66/29/757146629.db2.gz UBQLHFKSQTZKEJ-PSASIEDQSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)N1CCCC1 400940070 757147722 /nfs/dbraw/zinc/14/77/22/757147722.db2.gz NATICEVVGMCKEO-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)N(C)C1CC1 400967978 757150179 /nfs/dbraw/zinc/15/01/79/757150179.db2.gz UBQLHFKSQTZKEJ-WPRPVWTQSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](CO)NCC=C(Cl)Cl 403334968 757178891 /nfs/dbraw/zinc/17/88/91/757178891.db2.gz AZTLYBUAGMCFKD-LURJTMIESA-N 0 3 198.093 1.666 20 0 ADADHN CC[C@H](CO)NCC=C(Cl)Cl 403334969 757180017 /nfs/dbraw/zinc/18/00/17/757180017.db2.gz AZTLYBUAGMCFKD-ZCFIWIBFSA-N 0 3 198.093 1.666 20 0 ADADHN CCCCCNCc1cn(CC)nn1 404511009 757186894 /nfs/dbraw/zinc/18/68/94/757186894.db2.gz QUGOOTJQYPBDPF-UHFFFAOYSA-N 0 3 196.298 1.578 20 0 ADADHN C[C@@H](O)[C@@H](C)NCc1ccns1 404457320 757188103 /nfs/dbraw/zinc/18/81/03/757188103.db2.gz QGMSYQAHYQUEPV-RNFRBKRXSA-N 0 3 186.280 1.002 20 0 ADADHN CCn1cc(CNCC2CCC2)nn1 404508207 757189896 /nfs/dbraw/zinc/18/98/96/757189896.db2.gz NZURDBOJMDJEPI-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN C[C@H](O)[C@H](C)NCc1ccns1 404457317 757190412 /nfs/dbraw/zinc/19/04/12/757190412.db2.gz QGMSYQAHYQUEPV-BQBZGAKWSA-N 0 3 186.280 1.002 20 0 ADADHN CCn1cc(CNCCC(C)C)nn1 404486528 757193747 /nfs/dbraw/zinc/19/37/47/757193747.db2.gz CHTANQUTQKJVMD-UHFFFAOYSA-N 0 3 196.298 1.434 20 0 ADADHN C[C@H](NCc1ccns1)[C@@H](C)O 404457319 757196402 /nfs/dbraw/zinc/19/64/02/757196402.db2.gz QGMSYQAHYQUEPV-NKWVEPMBSA-N 0 3 186.280 1.002 20 0 ADADHN C[C@H](O)[C@@H](C)NCc1ccns1 404457321 757196610 /nfs/dbraw/zinc/19/66/10/757196610.db2.gz QGMSYQAHYQUEPV-RQJHMYQMSA-N 0 3 186.280 1.002 20 0 ADADHN C/C=C\C(=O)NC[C@H]1CCCN1CC 228118223 572002161 /nfs/dbraw/zinc/00/21/61/572002161.db2.gz POICJVHWOTWHLL-XICOKMJESA-N 0 3 196.294 1.163 20 0 ADADHN Cc1nnc([C@@H]2CCCN2)n1C(C)C 42030991 572005947 /nfs/dbraw/zinc/00/59/47/572005947.db2.gz HAYWELFXYHHEGJ-VIFPVBQESA-N 0 3 194.282 1.592 20 0 ADADHN C[C@H](N)c1cn(CCCC2CC2)nn1 405989786 757221093 /nfs/dbraw/zinc/22/10/93/757221093.db2.gz GENPOGHWSVMDES-QMMMGPOBSA-N 0 3 194.282 1.488 20 0 ADADHN CCC[C@H](O)CN1CCC[C@H](F)C1 689437965 572007605 /nfs/dbraw/zinc/00/76/05/572007605.db2.gz RBBOJSAKEWSMKU-UWVGGRQHSA-N 0 3 189.274 1.581 20 0 ADADHN C[C@@H](N)c1cn(CCCC2CC2)nn1 405989785 757223891 /nfs/dbraw/zinc/22/38/91/757223891.db2.gz GENPOGHWSVMDES-MRVPVSSYSA-N 0 3 194.282 1.488 20 0 ADADHN CC(C)C1(O)CN(CCCC2CC2)C1 406039815 757236262 /nfs/dbraw/zinc/23/62/62/757236262.db2.gz SKNQEOWCDFRGJB-UHFFFAOYSA-N 0 3 197.322 1.879 20 0 ADADHN Cc1nnc(CN[C@@H](C)C(C)C)n1C 35696116 572035097 /nfs/dbraw/zinc/03/50/97/572035097.db2.gz RINJGFGAKHEKNB-QMMMGPOBSA-N 0 3 196.298 1.258 20 0 ADADHN CC(C)[C@H](O)CN1CCC[C@H](F)C1 642866473 757265641 /nfs/dbraw/zinc/26/56/41/757265641.db2.gz JHCYYUDCAJVVHX-VHSXEESVSA-N 0 3 189.274 1.437 20 0 ADADHN CC(C)[C@@H](O)CN1CCC[C@@H](F)C1 642866474 757269087 /nfs/dbraw/zinc/26/90/87/757269087.db2.gz JHCYYUDCAJVVHX-ZJUUUORDSA-N 0 3 189.274 1.437 20 0 ADADHN CC1(C)CN(C[C@](C)(O)C(F)F)C1 642859467 757272239 /nfs/dbraw/zinc/27/22/39/757272239.db2.gz ITFPLZAFPUUMAG-VIFPVBQESA-N 0 3 193.237 1.344 20 0 ADADHN CC[C@@H](O)CN1CCC[C@@H](F)C1 642866957 757272666 /nfs/dbraw/zinc/27/26/66/757272666.db2.gz OYDIZUCLTJHMLT-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN CC(C)(O)CCN1CCC[C@@H](F)C1 642860471 757275334 /nfs/dbraw/zinc/27/53/34/757275334.db2.gz MOSGPJYSRYKTRS-SECBINFHSA-N 0 3 189.274 1.581 20 0 ADADHN CC1(C)CN(C[C@@](C)(O)C(F)F)C1 642859466 757276223 /nfs/dbraw/zinc/27/62/23/757276223.db2.gz ITFPLZAFPUUMAG-SECBINFHSA-N 0 3 193.237 1.344 20 0 ADADHN CC[C@@H](O)CN1CCC[C@H](F)C1 642866956 757276512 /nfs/dbraw/zinc/27/65/12/757276512.db2.gz OYDIZUCLTJHMLT-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN CC(C)[C@H](O)CN1CCC[C@@H](F)C1 642866465 757277768 /nfs/dbraw/zinc/27/77/68/757277768.db2.gz JHCYYUDCAJVVHX-NXEZZACHSA-N 0 3 189.274 1.437 20 0 ADADHN CC(C)(O)CCN1CCC[C@H](F)C1 642860472 757279891 /nfs/dbraw/zinc/27/98/91/757279891.db2.gz MOSGPJYSRYKTRS-VIFPVBQESA-N 0 3 189.274 1.581 20 0 ADADHN CC(C)[C@@H](O)CN1CCC[C@H](F)C1 642866471 757279545 /nfs/dbraw/zinc/27/95/45/757279545.db2.gz JHCYYUDCAJVVHX-UWVGGRQHSA-N 0 3 189.274 1.437 20 0 ADADHN Cc1nnc([C@@H](C)NCC2(C)CC2)[nH]1 687314658 757314852 /nfs/dbraw/zinc/31/48/52/757314852.db2.gz ZPGUAVMXCOKCEW-SSDOTTSWSA-N 0 3 194.282 1.564 20 0 ADADHN Cc1nnc([C@H](C)NCC2(C)CC2)[nH]1 687314660 757315232 /nfs/dbraw/zinc/31/52/32/757315232.db2.gz ZPGUAVMXCOKCEW-ZETCQYMHSA-N 0 3 194.282 1.564 20 0 ADADHN Cc1ccoc1CN[C@H]1COC[C@@H]1C 687967438 757317277 /nfs/dbraw/zinc/31/72/77/757317277.db2.gz QXLKRJCTRBVERI-UWVGGRQHSA-N 0 3 195.262 1.713 20 0 ADADHN Cc1ccoc1CN[C@@H]1COC[C@@H]1C 687967442 757317689 /nfs/dbraw/zinc/31/76/89/757317689.db2.gz QXLKRJCTRBVERI-VHSXEESVSA-N 0 3 195.262 1.713 20 0 ADADHN Cc1cc(C)nc(N[C@@H](C)CCO)c1 687802830 757317782 /nfs/dbraw/zinc/31/77/82/757317782.db2.gz BJFZHHQXKUFMNK-VIFPVBQESA-N 0 3 194.278 1.881 20 0 ADADHN Cc1cc(C)nc(N[C@H](C)CCO)c1 687802829 757318408 /nfs/dbraw/zinc/31/84/08/757318408.db2.gz BJFZHHQXKUFMNK-SECBINFHSA-N 0 3 194.278 1.881 20 0 ADADHN Cc1ccoc1CN[C@@H]1COC[C@H]1C 687967436 757319407 /nfs/dbraw/zinc/31/94/07/757319407.db2.gz QXLKRJCTRBVERI-NXEZZACHSA-N 0 3 195.262 1.713 20 0 ADADHN Cc1ccoc1CN[C@H]1COC[C@H]1C 687967443 757320623 /nfs/dbraw/zinc/32/06/23/757320623.db2.gz QXLKRJCTRBVERI-ZJUUUORDSA-N 0 3 195.262 1.713 20 0 ADADHN C[C@H]1COC[C@H]1NCc1ccccn1 688004808 757323746 /nfs/dbraw/zinc/32/37/46/757323746.db2.gz DJPKAXSRWRRLTC-GXSJLCMTSA-N 0 3 192.262 1.206 20 0 ADADHN C[C@H]1COC[C@@H]1NCc1ccccn1 688004811 757324085 /nfs/dbraw/zinc/32/40/85/757324085.db2.gz DJPKAXSRWRRLTC-ONGXEEELSA-N 0 3 192.262 1.206 20 0 ADADHN C[C@@H]1COC[C@H]1NCc1ccccn1 688004810 757325845 /nfs/dbraw/zinc/32/58/45/757325845.db2.gz DJPKAXSRWRRLTC-MWLCHTKSSA-N 0 3 192.262 1.206 20 0 ADADHN C[C@@H]1COC[C@@H]1NCc1ccccn1 688004809 757326113 /nfs/dbraw/zinc/32/61/13/757326113.db2.gz DJPKAXSRWRRLTC-KOLCDFICSA-N 0 3 192.262 1.206 20 0 ADADHN C[C@H]1COC[C@@H]1NCc1ccco1 688054779 757335625 /nfs/dbraw/zinc/33/56/25/757335625.db2.gz YNSOZSDFKSQDSM-WPRPVWTQSA-N 0 3 181.235 1.404 20 0 ADADHN C[C@@H]1COC[C@@H]1NCc1ccco1 688054775 757338788 /nfs/dbraw/zinc/33/87/88/757338788.db2.gz YNSOZSDFKSQDSM-SCZZXKLOSA-N 0 3 181.235 1.404 20 0 ADADHN C[C@@H]1COC[C@H]1NCc1ccco1 688054772 757339171 /nfs/dbraw/zinc/33/91/71/757339171.db2.gz YNSOZSDFKSQDSM-PSASIEDQSA-N 0 3 181.235 1.404 20 0 ADADHN C[C@H]1COC[C@H]1NCc1ccco1 688054778 757339203 /nfs/dbraw/zinc/33/92/03/757339203.db2.gz YNSOZSDFKSQDSM-WCBMZHEXSA-N 0 3 181.235 1.404 20 0 ADADHN CCCC[C@H](N)C(=O)N(C)C1CC1 37480559 572156099 /nfs/dbraw/zinc/15/60/99/572156099.db2.gz WIEMKFOSXUBBEH-VIFPVBQESA-N 0 3 184.283 1.125 20 0 ADADHN OCCCCCN1CCC[C@@H](F)C1 689377130 757340329 /nfs/dbraw/zinc/34/03/29/757340329.db2.gz QFUGJWLEVLJKDB-SNVBAGLBSA-N 0 3 189.274 1.583 20 0 ADADHN OCCCCN1CCC[C@H](F)C1 689377569 757340758 /nfs/dbraw/zinc/34/07/58/757340758.db2.gz TWHCSUPPJROOET-VIFPVBQESA-N 0 3 175.247 1.193 20 0 ADADHN CC[C@H](O)CN1CCC[C@H](F)C1 689376732 757342522 /nfs/dbraw/zinc/34/25/22/757342522.db2.gz OYDIZUCLTJHMLT-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@H](O)CCN1CCC[C@@H](F)C1 689377694 757342953 /nfs/dbraw/zinc/34/29/53/757342953.db2.gz VYKPYSASEHSAJU-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@H](O)CCN1CCC[C@H](F)C1 689377696 757343271 /nfs/dbraw/zinc/34/32/71/757343271.db2.gz VYKPYSASEHSAJU-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](O)CN1CCC[C@@H](F)C1 689376729 757343401 /nfs/dbraw/zinc/34/34/01/757343401.db2.gz OYDIZUCLTJHMLT-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN OCCCCN1CCC[C@@H](F)C1 689377568 757344175 /nfs/dbraw/zinc/34/41/75/757344175.db2.gz TWHCSUPPJROOET-SECBINFHSA-N 0 3 175.247 1.193 20 0 ADADHN OCCCCCN1CCC[C@H](F)C1 689377128 757344696 /nfs/dbraw/zinc/34/46/96/757344696.db2.gz QFUGJWLEVLJKDB-JTQLQIEISA-N 0 3 189.274 1.583 20 0 ADADHN C[C@@H](O)CCN1CCC[C@H](F)C1 689377692 757346594 /nfs/dbraw/zinc/34/65/94/757346594.db2.gz VYKPYSASEHSAJU-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@@H](O)CCN1CCC[C@@H](F)C1 689377698 757346649 /nfs/dbraw/zinc/34/66/49/757346649.db2.gz VYKPYSASEHSAJU-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN OCCCCCCN1CC[C@@H](F)C1 689910547 757349792 /nfs/dbraw/zinc/34/97/92/757349792.db2.gz WNICUQSKOHSURZ-SNVBAGLBSA-N 0 3 189.274 1.583 20 0 ADADHN OCc1cc(N2CC[C@@H](F)C2)ccn1 689935400 757350608 /nfs/dbraw/zinc/35/06/08/757350608.db2.gz KJMSNXHITFESJD-MRVPVSSYSA-N 0 3 196.225 1.122 20 0 ADADHN Cc1ncc(CN[C@H]2C=CCC2)n1C 689723310 757350716 /nfs/dbraw/zinc/35/07/16/757350716.db2.gz MXSJEKPKQMFXON-JTQLQIEISA-N 0 3 191.278 1.537 20 0 ADADHN CCCC[C@@H](N)C(=O)NC(C)C 37480375 572150020 /nfs/dbraw/zinc/15/00/20/572150020.db2.gz PCVNUPYLWSMJPI-MRVPVSSYSA-N 0 3 172.272 1.029 20 0 ADADHN Cc1ncc(CN[C@@H]2C=CCC2)n1C 689723323 757352945 /nfs/dbraw/zinc/35/29/45/757352945.db2.gz MXSJEKPKQMFXON-SNVBAGLBSA-N 0 3 191.278 1.537 20 0 ADADHN OCc1cc(N2CC[C@H](F)C2)ccn1 689935401 757352988 /nfs/dbraw/zinc/35/29/88/757352988.db2.gz KJMSNXHITFESJD-QMMMGPOBSA-N 0 3 196.225 1.122 20 0 ADADHN OCCCCCCN1CC[C@H](F)C1 689910546 757353357 /nfs/dbraw/zinc/35/33/57/757353357.db2.gz WNICUQSKOHSURZ-JTQLQIEISA-N 0 3 189.274 1.583 20 0 ADADHN C[C@H](O)CN(Cc1ccoc1)C1CC1 691361623 757354762 /nfs/dbraw/zinc/35/47/62/757354762.db2.gz YUMOBAALBNDMNU-VIFPVBQESA-N 0 3 195.262 1.625 20 0 ADADHN C[C@@H](O)CN(Cc1ccoc1)C1CC1 691361622 757359223 /nfs/dbraw/zinc/35/92/23/757359223.db2.gz YUMOBAALBNDMNU-SECBINFHSA-N 0 3 195.262 1.625 20 0 ADADHN CC1CC(CNCc2cn(C)cn2)C1 691906981 757365611 /nfs/dbraw/zinc/36/56/11/757365611.db2.gz YFIOEAQFXDXLME-UHFFFAOYSA-N 0 3 193.294 1.556 20 0 ADADHN C[C@H](N)c1cn(CC2CC=CC2)nn1 692042606 757370447 /nfs/dbraw/zinc/37/04/47/757370447.db2.gz MPQFRNXTRJKVPA-QMMMGPOBSA-N 0 3 192.266 1.264 20 0 ADADHN C[C@@H](N)c1cn(CC2CC=CC2)nn1 692042603 757372002 /nfs/dbraw/zinc/37/20/02/757372002.db2.gz MPQFRNXTRJKVPA-MRVPVSSYSA-N 0 3 192.266 1.264 20 0 ADADHN CO[C@@H](CNCCF)C1CCCC1 692965406 757382165 /nfs/dbraw/zinc/38/21/65/757382165.db2.gz JULNIHJRKKSCBQ-JTQLQIEISA-N 0 3 189.274 1.751 20 0 ADADHN CO[C@H](CNCCF)C1CCCC1 692965407 757385489 /nfs/dbraw/zinc/38/54/89/757385489.db2.gz JULNIHJRKKSCBQ-SNVBAGLBSA-N 0 3 189.274 1.751 20 0 ADADHN Cc1c[nH]c(CN[C@H]2CC[C@@H](C)C2)n1 693469752 757386118 /nfs/dbraw/zinc/38/61/18/757386118.db2.gz GTJLCLRIUQGHEP-SCZZXKLOSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]c(CN[C@H]2CC[C@H](C)C2)n1 693469760 757386221 /nfs/dbraw/zinc/38/62/21/757386221.db2.gz GTJLCLRIUQGHEP-WPRPVWTQSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]c(CNCCC2CCC2)n1 693469292 757386326 /nfs/dbraw/zinc/38/63/26/757386326.db2.gz AFLPCLAHQKDMBT-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN Cc1c[nH]c(CN[C@@H]2CC[C@H](C)C2)n1 693469755 757387077 /nfs/dbraw/zinc/38/70/77/757387077.db2.gz GTJLCLRIUQGHEP-WCBMZHEXSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]c(CN[C@@H]2CC[C@@H](C)C2)n1 693469747 757388209 /nfs/dbraw/zinc/38/82/09/757388209.db2.gz GTJLCLRIUQGHEP-PSASIEDQSA-N 0 3 193.294 1.996 20 0 ADADHN Cn1cnc(CN[C@@]23CCC[C@@H]2C3)c1 693182005 757388299 /nfs/dbraw/zinc/38/82/99/757388299.db2.gz MAIURVASQXVLGG-MWLCHTKSSA-N 0 3 191.278 1.452 20 0 ADADHN CCCC[C@@H](N)C(=O)N(C)CC1CC1 37816390 572195446 /nfs/dbraw/zinc/19/54/46/572195446.db2.gz GWTNAQUDNLDGIT-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN Cc1c[nH]c(CN[C@@H]2CCC2(C)C)n1 693517912 757392320 /nfs/dbraw/zinc/39/23/20/757392320.db2.gz PCOIQIUDLLZXHV-SECBINFHSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]c(CN[C@H]2CCC2(C)C)n1 693517913 757394768 /nfs/dbraw/zinc/39/47/68/757394768.db2.gz PCOIQIUDLLZXHV-VIFPVBQESA-N 0 3 193.294 1.996 20 0 ADADHN C[C@H](NCCF)C1(Cl)CC1 695657993 757410736 /nfs/dbraw/zinc/41/07/36/757410736.db2.gz ZIVAOMMMSDXCAK-LURJTMIESA-N 0 3 165.639 1.705 20 0 ADADHN C[C@@H](NCCF)C1(Cl)CC1 695657996 757416435 /nfs/dbraw/zinc/41/64/35/757416435.db2.gz ZIVAOMMMSDXCAK-ZCFIWIBFSA-N 0 3 165.639 1.705 20 0 ADADHN CC(C)=CCCn1cc([C@H](C)N)nn1 697748685 757433200 /nfs/dbraw/zinc/43/32/00/757433200.db2.gz UYHBFZPZNHDZKE-VIFPVBQESA-N 0 3 194.282 1.654 20 0 ADADHN CC(C)=CCCn1cc([C@@H](C)N)nn1 697748684 757437470 /nfs/dbraw/zinc/43/74/70/757437470.db2.gz UYHBFZPZNHDZKE-SECBINFHSA-N 0 3 194.282 1.654 20 0 ADADHN Cc1cc(CN[C@H]2C=CCC2)n(C)n1 698176392 757441598 /nfs/dbraw/zinc/44/15/98/757441598.db2.gz NXGZNZNDEZGEPW-JTQLQIEISA-N 0 3 191.278 1.537 20 0 ADADHN Cc1cc(CN[C@@H]2C=CCC2)n(C)n1 698176393 757445191 /nfs/dbraw/zinc/44/51/91/757445191.db2.gz NXGZNZNDEZGEPW-SNVBAGLBSA-N 0 3 191.278 1.537 20 0 ADADHN C1=C[C@H](NCc2c[nH]cn2)CC1 698267392 757448800 /nfs/dbraw/zinc/44/88/00/757448800.db2.gz NJOZPVBSLXDQLK-QMMMGPOBSA-N 0 3 163.224 1.218 20 0 ADADHN C1=C[C@H](NCc2cnc[nH]2)CC1 698267392 757448812 /nfs/dbraw/zinc/44/88/12/757448812.db2.gz NJOZPVBSLXDQLK-QMMMGPOBSA-N 0 3 163.224 1.218 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)N[C@H]1C=CCC1 698236595 757448948 /nfs/dbraw/zinc/44/89/48/757448948.db2.gz FTESIRNXKGANOE-DTWKUNHWSA-N 0 3 196.294 1.195 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N[C@H]1C=CCC1 698229837 757449072 /nfs/dbraw/zinc/44/90/72/757449072.db2.gz HDQZRZIAKAEGPT-VHSXEESVSA-N 0 3 196.294 1.195 20 0 ADADHN CCn1cc(CN[C@H]2C=CCC2)cn1 698307563 757455426 /nfs/dbraw/zinc/45/54/26/757455426.db2.gz NYLHLFQLUKJYGZ-NSHDSACASA-N 0 3 191.278 1.711 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N[C@@H]1C=CCC1 698229834 757449865 /nfs/dbraw/zinc/44/98/65/757449865.db2.gz HDQZRZIAKAEGPT-NXEZZACHSA-N 0 3 196.294 1.195 20 0 ADADHN Cc1cnn(C)c1CN[C@@H]1C=CCC1 698208006 757451271 /nfs/dbraw/zinc/45/12/71/757451271.db2.gz ZFNMWRADHBASSJ-SNVBAGLBSA-N 0 3 191.278 1.537 20 0 ADADHN CC(C)C[C@H](N)C(=O)N[C@H]1C=CCC1 698229836 757451433 /nfs/dbraw/zinc/45/14/33/757451433.db2.gz HDQZRZIAKAEGPT-UWVGGRQHSA-N 0 3 196.294 1.195 20 0 ADADHN Cc1cnn(C)c1CN[C@H]1C=CCC1 698208005 757452164 /nfs/dbraw/zinc/45/21/64/757452164.db2.gz ZFNMWRADHBASSJ-JTQLQIEISA-N 0 3 191.278 1.537 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)N[C@@H]1C=CCC1 698236600 757452496 /nfs/dbraw/zinc/45/24/96/757452496.db2.gz FTESIRNXKGANOE-RKDXNWHRSA-N 0 3 196.294 1.195 20 0 ADADHN CC(C)C[C@H](N)C(=O)N[C@@H]1C=CCC1 698229838 757452514 /nfs/dbraw/zinc/45/25/14/757452514.db2.gz HDQZRZIAKAEGPT-ZJUUUORDSA-N 0 3 196.294 1.195 20 0 ADADHN C1=C[C@@H](NCc2c[nH]cn2)CC1 698267390 757452905 /nfs/dbraw/zinc/45/29/05/757452905.db2.gz NJOZPVBSLXDQLK-MRVPVSSYSA-N 0 3 163.224 1.218 20 0 ADADHN C1=C[C@@H](NCc2cnc[nH]2)CC1 698267390 757452910 /nfs/dbraw/zinc/45/29/10/757452910.db2.gz NJOZPVBSLXDQLK-MRVPVSSYSA-N 0 3 163.224 1.218 20 0 ADADHN Cn1cncc1CN[C@H]1C=CCC1 698279785 757453953 /nfs/dbraw/zinc/45/39/53/757453953.db2.gz WLKOILLSJGWPIX-VIFPVBQESA-N 0 3 177.251 1.228 20 0 ADADHN CCn1cncc1CN[C@H]1C=CCC1 698309606 757454174 /nfs/dbraw/zinc/45/41/74/757454174.db2.gz VEVRCKAQUCEDQS-JTQLQIEISA-N 0 3 191.278 1.711 20 0 ADADHN CCn1cc(CN[C@@H]2C=CCC2)cn1 698307560 757454269 /nfs/dbraw/zinc/45/42/69/757454269.db2.gz NYLHLFQLUKJYGZ-LLVKDONJSA-N 0 3 191.278 1.711 20 0 ADADHN CCn1nccc1CN[C@@H]1C=CCC1 698309601 757454569 /nfs/dbraw/zinc/45/45/69/757454569.db2.gz VBIZLOUQKLDYNN-SNVBAGLBSA-N 0 3 191.278 1.711 20 0 ADADHN Cn1cncc1CN[C@@H]1C=CCC1 698279782 757454594 /nfs/dbraw/zinc/45/45/94/757454594.db2.gz WLKOILLSJGWPIX-SECBINFHSA-N 0 3 177.251 1.228 20 0 ADADHN Cn1nccc1CN[C@@H]1C=CCC1 698275349 757454731 /nfs/dbraw/zinc/45/47/31/757454731.db2.gz CKAYRBSLAXMVII-SECBINFHSA-N 0 3 177.251 1.228 20 0 ADADHN C[C@H](N[C@H]1C=CCC1)c1cnn(C)c1 698308121 757454840 /nfs/dbraw/zinc/45/48/40/757454840.db2.gz QOXDSFNSNCGFLJ-ONGXEEELSA-N 0 3 191.278 1.789 20 0 ADADHN Cn1cc(CN[C@H]2C=CCC2)cn1 698279747 757454920 /nfs/dbraw/zinc/45/49/20/757454920.db2.gz WHSKERBPVWYLOM-JTQLQIEISA-N 0 3 177.251 1.228 20 0 ADADHN Cc1nn(C)cc1CN[C@H]1C=CCC1 698305044 757455009 /nfs/dbraw/zinc/45/50/09/757455009.db2.gz DBZWOGOZMSBPIR-NSHDSACASA-N 0 3 191.278 1.537 20 0 ADADHN Cc1nn(C)cc1CN[C@@H]1C=CCC1 698305037 757455306 /nfs/dbraw/zinc/45/53/06/757455306.db2.gz DBZWOGOZMSBPIR-LLVKDONJSA-N 0 3 191.278 1.537 20 0 ADADHN Cc1n[nH]cc1CN[C@@H]1C=CCC1 698278292 757456868 /nfs/dbraw/zinc/45/68/68/757456868.db2.gz ONIXQTKRPBSMQE-SNVBAGLBSA-N 0 3 177.251 1.526 20 0 ADADHN Cn1nccc1CN[C@H]1C=CCC1 698275351 757456574 /nfs/dbraw/zinc/45/65/74/757456574.db2.gz CKAYRBSLAXMVII-VIFPVBQESA-N 0 3 177.251 1.228 20 0 ADADHN C[C@H](N[C@@H]1C=CCC1)c1cnn(C)c1 698308106 757457108 /nfs/dbraw/zinc/45/71/08/757457108.db2.gz QOXDSFNSNCGFLJ-GXSJLCMTSA-N 0 3 191.278 1.789 20 0 ADADHN CCn1cncc1CN[C@@H]1C=CCC1 698309609 757457556 /nfs/dbraw/zinc/45/75/56/757457556.db2.gz VEVRCKAQUCEDQS-SNVBAGLBSA-N 0 3 191.278 1.711 20 0 ADADHN C[C@@H](N[C@H]1C=CCC1)c1cnn(C)c1 698308111 757457598 /nfs/dbraw/zinc/45/75/98/757457598.db2.gz QOXDSFNSNCGFLJ-KOLCDFICSA-N 0 3 191.278 1.789 20 0 ADADHN CCn1nccc1CN[C@H]1C=CCC1 698309599 757457674 /nfs/dbraw/zinc/45/76/74/757457674.db2.gz VBIZLOUQKLDYNN-JTQLQIEISA-N 0 3 191.278 1.711 20 0 ADADHN Cc1n[nH]cc1CN[C@H]1C=CCC1 698278291 757458142 /nfs/dbraw/zinc/45/81/42/757458142.db2.gz ONIXQTKRPBSMQE-JTQLQIEISA-N 0 3 177.251 1.526 20 0 ADADHN C[C@@H](N[C@@H]1C=CCC1)c1cnn(C)c1 698308116 757458428 /nfs/dbraw/zinc/45/84/28/757458428.db2.gz QOXDSFNSNCGFLJ-MWLCHTKSSA-N 0 3 191.278 1.789 20 0 ADADHN Cn1cc(CN[C@@H]2C=CCC2)cn1 698279748 757458659 /nfs/dbraw/zinc/45/86/59/757458659.db2.gz WHSKERBPVWYLOM-SNVBAGLBSA-N 0 3 177.251 1.228 20 0 ADADHN C[C@@H]1CCN1C[C@](C)(O)C(F)F 698557402 757459301 /nfs/dbraw/zinc/45/93/01/757459301.db2.gz OQPFJQXSOXDVLS-SVRRBLITSA-N 0 3 179.210 1.097 20 0 ADADHN c1ccc(-c2cnn3c2CNCC3)cc1 698920813 757459945 /nfs/dbraw/zinc/45/99/45/757459945.db2.gz INQOYWBSTMCRPE-UHFFFAOYSA-N 0 3 199.257 1.653 20 0 ADADHN C[C@H]1CCN1C[C@@](C)(O)C(F)F 698557401 757460692 /nfs/dbraw/zinc/46/06/92/757460692.db2.gz OQPFJQXSOXDVLS-POYBYMJQSA-N 0 3 179.210 1.097 20 0 ADADHN C[C@H]1CCN1C[C@](C)(O)C(F)F 698557403 757462296 /nfs/dbraw/zinc/46/22/96/757462296.db2.gz OQPFJQXSOXDVLS-XPUUQOCRSA-N 0 3 179.210 1.097 20 0 ADADHN C[C@@H]1CCN1C[C@@](C)(O)C(F)F 698557398 757463303 /nfs/dbraw/zinc/46/33/03/757463303.db2.gz OQPFJQXSOXDVLS-HTRCEHHLSA-N 0 3 179.210 1.097 20 0 ADADHN CC[C@H]1COC[C@@H]1NCc1ccoc1 699464731 757464649 /nfs/dbraw/zinc/46/46/49/757464649.db2.gz BBSVFJTUPIGYNU-QWRGUYRKSA-N 0 3 195.262 1.794 20 0 ADADHN CC[C@H]1COC[C@H]1NCc1ccoc1 699464738 757465642 /nfs/dbraw/zinc/46/56/42/757465642.db2.gz BBSVFJTUPIGYNU-WDEREUQCSA-N 0 3 195.262 1.794 20 0 ADADHN CC[C@@H]1COC[C@@H]1NCc1ccoc1 699464730 757467301 /nfs/dbraw/zinc/46/73/01/757467301.db2.gz BBSVFJTUPIGYNU-MNOVXSKESA-N 0 3 195.262 1.794 20 0 ADADHN CC[C@@H]1COC[C@H]1NCc1ccoc1 699464727 757467599 /nfs/dbraw/zinc/46/75/99/757467599.db2.gz BBSVFJTUPIGYNU-GHMZBOCLSA-N 0 3 195.262 1.794 20 0 ADADHN CC[C@H]1COC[C@H]1NCc1ccco1 699471003 757469421 /nfs/dbraw/zinc/46/94/21/757469421.db2.gz NPHXDBJBSFKEKR-GXSJLCMTSA-N 0 3 195.262 1.794 20 0 ADADHN CC[C@@H]1COC[C@@H]1NCc1ccco1 699471004 757469888 /nfs/dbraw/zinc/46/98/88/757469888.db2.gz NPHXDBJBSFKEKR-KOLCDFICSA-N 0 3 195.262 1.794 20 0 ADADHN CC[C@H]1COC[C@@H]1NCc1ccco1 699471008 757473429 /nfs/dbraw/zinc/47/34/29/757473429.db2.gz NPHXDBJBSFKEKR-ONGXEEELSA-N 0 3 195.262 1.794 20 0 ADADHN CC[C@@H]1COC[C@H]1NCc1ccco1 699471006 757475046 /nfs/dbraw/zinc/47/50/46/757475046.db2.gz NPHXDBJBSFKEKR-MWLCHTKSSA-N 0 3 195.262 1.794 20 0 ADADHN Cc1occc1CN[C@@H]1COC[C@@H]1C 699880222 757477265 /nfs/dbraw/zinc/47/72/65/757477265.db2.gz PYUQOMNVZCOFIF-GZMMTYOYSA-N 0 3 195.262 1.713 20 0 ADADHN Cc1occc1CN[C@H]1COC[C@@H]1C 699880226 757477348 /nfs/dbraw/zinc/47/73/48/757477348.db2.gz PYUQOMNVZCOFIF-KWQFWETISA-N 0 3 195.262 1.713 20 0 ADADHN Cc1occc1CN[C@@H]1COC[C@H]1C 699880229 757479088 /nfs/dbraw/zinc/47/90/88/757479088.db2.gz PYUQOMNVZCOFIF-LDYMZIIASA-N 0 3 195.262 1.713 20 0 ADADHN Cc1occc1CN[C@H]1COC[C@H]1C 699880224 757479761 /nfs/dbraw/zinc/47/97/61/757479761.db2.gz PYUQOMNVZCOFIF-KCJUWKMLSA-N 0 3 195.262 1.713 20 0 ADADHN CCN(CCC1CC1)Cn1cnnc1 760538630 757486808 /nfs/dbraw/zinc/48/68/08/757486808.db2.gz MSOVGQSMMBRAIL-UHFFFAOYSA-N 0 3 194.282 1.358 20 0 ADADHN CC1(C)CCCN(CC2OCCO2)C1 777582545 757490121 /nfs/dbraw/zinc/49/01/21/757490121.db2.gz JZCSBRMAPYIZNO-UHFFFAOYSA-N 0 3 199.294 1.481 20 0 ADADHN CCC1CCN(CC2OCCO2)CC1 777559223 757490641 /nfs/dbraw/zinc/49/06/41/757490641.db2.gz WDHMOHSYSZCYCU-UHFFFAOYSA-N 0 3 199.294 1.481 20 0 ADADHN CCCCN(CC1OCCO1)C1CC1 777554979 757490726 /nfs/dbraw/zinc/49/07/26/757490726.db2.gz JVTPOJCFIJOWJV-UHFFFAOYSA-N 0 3 199.294 1.624 20 0 ADADHN CC(C)CN(CC1OCCO1)C1CC1 777554156 757490830 /nfs/dbraw/zinc/49/08/30/757490830.db2.gz BTYQRWBCWZUKIC-UHFFFAOYSA-N 0 3 199.294 1.480 20 0 ADADHN CN(CC1CCCC1)CC1OCCO1 777566179 757491410 /nfs/dbraw/zinc/49/14/10/757491410.db2.gz JFBRFPXGVIUILA-UHFFFAOYSA-N 0 3 199.294 1.481 20 0 ADADHN NC[C@@H](F)CC(F)(F)F 213627941 572639363 /nfs/dbraw/zinc/63/93/63/572639363.db2.gz UNIPAUHXJAHRFL-VKHMYHEASA-N 0 3 145.099 1.236 20 0 ADADHN CCC1(NCc2ccc(C)nn2)CC1 840951114 757501029 /nfs/dbraw/zinc/50/10/29/757501029.db2.gz SNAVSKAHTZELMF-UHFFFAOYSA-N 0 3 191.278 1.817 20 0 ADADHN O[C@@H](CNCCF)c1ccccc1 87774745 572706426 /nfs/dbraw/zinc/70/64/26/572706426.db2.gz MILZAPJXBXFTKU-JTQLQIEISA-N 0 3 183.226 1.279 20 0 ADADHN COC(CN1CCC(C)CC1)OC 85350956 572730058 /nfs/dbraw/zinc/73/00/58/572730058.db2.gz XZLFANBBEIIXED-UHFFFAOYSA-N 0 3 187.283 1.337 20 0 ADADHN COCCCN(C)Cc1cc(C)[nH]n1 1116442249 757595382 /nfs/dbraw/zinc/59/53/82/757595382.db2.gz NLUNOCQYTDYHOM-UHFFFAOYSA-N 0 3 197.282 1.186 20 0 ADADHN CCN(Cc1cc(C)n[nH]1)CC1CC1 1116442690 757599811 /nfs/dbraw/zinc/59/98/11/757599811.db2.gz LKWPZZXNWXXMDE-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN CC(C)(C)CN(CCF)CCCO 308159337 572879814 /nfs/dbraw/zinc/87/98/14/572879814.db2.gz UCUAXWVDFHFBRI-UHFFFAOYSA-N 0 3 191.290 1.686 20 0 ADADHN c1cc(CN2CC3CCC2CC3)n[nH]1 1117757198 757648065 /nfs/dbraw/zinc/64/80/65/757648065.db2.gz RGIMIGZMVHOWTO-UHFFFAOYSA-N 0 3 191.278 1.784 20 0 ADADHN CCC(C)(C)N(C)Cc1nnc[nH]1 1118496370 757684941 /nfs/dbraw/zinc/68/49/41/757684941.db2.gz VTNSKKFPZNWKJS-UHFFFAOYSA-N 0 3 182.271 1.425 20 0 ADADHN CC[C@H]1[C@@H](C)CCN1Cc1nc[nH]n1 1118557556 757683143 /nfs/dbraw/zinc/68/31/43/757683143.db2.gz HANUUVZTHUQCBL-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1nnc[nH]1 1118496274 757680859 /nfs/dbraw/zinc/68/08/59/757680859.db2.gz TUEINPLBSSYGEO-SFYZADRCSA-N 0 3 180.255 1.035 20 0 ADADHN CCN(Cc1nnc[nH]1)C1CCCC1 1118495273 757682414 /nfs/dbraw/zinc/68/24/14/757682414.db2.gz SSMNDIWICOYSTO-UHFFFAOYSA-N 0 3 194.282 1.569 20 0 ADADHN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnc[n-]1 1118557556 757683154 /nfs/dbraw/zinc/68/31/54/757683154.db2.gz HANUUVZTHUQCBL-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnc[n-]1 1118557556 757683165 /nfs/dbraw/zinc/68/31/65/757683165.db2.gz HANUUVZTHUQCBL-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@H]1CCN(Cc2nnc[nH]2)[C@@H]1C 1118496273 757684606 /nfs/dbraw/zinc/68/46/06/757684606.db2.gz TUEINPLBSSYGEO-JGVFFNPUSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@@H]1CCCCN(Cc2nnc[nH]2)C1 1118557885 757684668 /nfs/dbraw/zinc/68/46/68/757684668.db2.gz KXAVTHXBHURCLZ-SECBINFHSA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@H](C)CN(CC)Cc1nnc[nH]1 1118495851 757685741 /nfs/dbraw/zinc/68/57/41/757685741.db2.gz DYUDXIQVCCKBBK-VIFPVBQESA-N 0 3 196.298 1.673 20 0 ADADHN CC[C@H]1[C@H](C)CCN1Cc1nc[nH]n1 1118557539 757687864 /nfs/dbraw/zinc/68/78/64/757687864.db2.gz HANUUVZTHUQCBL-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnc[n-]1 1118557539 757687877 /nfs/dbraw/zinc/68/78/77/757687877.db2.gz HANUUVZTHUQCBL-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnc[n-]1 1118557539 757687894 /nfs/dbraw/zinc/68/78/94/757687894.db2.gz HANUUVZTHUQCBL-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@@H]1CCN(Cc2nnc[nH]2)[C@@H]1C 1118496272 757688031 /nfs/dbraw/zinc/68/80/31/757688031.db2.gz TUEINPLBSSYGEO-HTQZYQBOSA-N 0 3 180.255 1.035 20 0 ADADHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnc[n-]1 1118557557 757689316 /nfs/dbraw/zinc/68/93/16/757689316.db2.gz HANUUVZTHUQCBL-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1[C@H](C)CCN1Cc1nc[nH]n1 1118557557 757689289 /nfs/dbraw/zinc/68/92/89/757689289.db2.gz HANUUVZTHUQCBL-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnc[n-]1 1118557557 757689302 /nfs/dbraw/zinc/68/93/02/757689302.db2.gz HANUUVZTHUQCBL-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@@H]1CC(C)(C)CN1Cc1nnc[nH]1 1118500375 757689713 /nfs/dbraw/zinc/68/97/13/757689713.db2.gz GZPZWVOLSXCRGC-MRVPVSSYSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@H]1CCN(Cc2nnc[nH]2)[C@H]1C 1118496275 757690757 /nfs/dbraw/zinc/69/07/57/757690757.db2.gz TUEINPLBSSYGEO-YUMQZZPRSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@H]1CCCCN(Cc2nnc[nH]2)C1 1118557887 757690951 /nfs/dbraw/zinc/69/09/51/757690951.db2.gz KXAVTHXBHURCLZ-VIFPVBQESA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@@H](C)CN(CC)Cc1nnc[nH]1 1118495850 757693529 /nfs/dbraw/zinc/69/35/29/757693529.db2.gz DYUDXIQVCCKBBK-SECBINFHSA-N 0 3 196.298 1.673 20 0 ADADHN C[C@H]1CC(C)(C)CN1Cc1nnc[nH]1 1118500376 757694179 /nfs/dbraw/zinc/69/41/79/757694179.db2.gz GZPZWVOLSXCRGC-QMMMGPOBSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1[C@@H](C)CCN1Cc1nc[nH]n1 1118557540 757694742 /nfs/dbraw/zinc/69/47/42/757694742.db2.gz HANUUVZTHUQCBL-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnc[n-]1 1118557540 757694758 /nfs/dbraw/zinc/69/47/58/757694758.db2.gz HANUUVZTHUQCBL-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnc[n-]1 1118557540 757694776 /nfs/dbraw/zinc/69/47/76/757694776.db2.gz HANUUVZTHUQCBL-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN CCN(Cc1nnc[nH]1)CC(C)C 1118558695 757697184 /nfs/dbraw/zinc/69/71/84/757697184.db2.gz RAVWSLPKOKGWRH-UHFFFAOYSA-N 0 3 182.271 1.283 20 0 ADADHN c1nc(CNC2(C3CCC3)CC2)n[nH]1 1118561194 757697447 /nfs/dbraw/zinc/69/74/47/757697447.db2.gz HHFHFGHPEZPGTD-UHFFFAOYSA-N 0 3 192.266 1.227 20 0 ADADHN c1nnc(C[NH2+]C2(C3CCC3)CC2)[n-]1 1118561194 757697465 /nfs/dbraw/zinc/69/74/65/757697465.db2.gz HHFHFGHPEZPGTD-UHFFFAOYSA-N 0 3 192.266 1.227 20 0 ADADHN CCN(Cc1nnc[nH]1)C(C)(C)C 1118564852 757698894 /nfs/dbraw/zinc/69/88/94/757698894.db2.gz RRPHJZUXZGROHE-UHFFFAOYSA-N 0 3 182.271 1.425 20 0 ADADHN CC(C)(CF)NCc1ccc(=O)[nH]c1 1118991612 757732680 /nfs/dbraw/zinc/73/26/80/757732680.db2.gz ZZKZAKSOZGSSJC-UHFFFAOYSA-N 0 3 198.241 1.625 20 0 ADADHN C[C@H](N)C(=O)N1[C@H](C)CCC1(C)C 1119298827 757741152 /nfs/dbraw/zinc/74/11/52/757741152.db2.gz MBBHWCZXXKGPDT-SFYZADRCSA-N 0 3 184.283 1.123 20 0 ADADHN CC1(NCc2ccc(Cl)nn2)CC1 1119243811 757744911 /nfs/dbraw/zinc/74/49/11/757744911.db2.gz YWVUKHSQBLTRDA-UHFFFAOYSA-N 0 3 197.669 1.772 20 0 ADADHN C[C@H](N)C(=O)N1[C@@H](C)CCC1(C)C 1119298836 757749249 /nfs/dbraw/zinc/74/92/49/757749249.db2.gz MBBHWCZXXKGPDT-YUMQZZPRSA-N 0 3 184.283 1.123 20 0 ADADHN C[C@H]1C[N@H+](Cc2nnc[n-]2)C(C)(C)C1 1119310491 757760571 /nfs/dbraw/zinc/76/05/71/757760571.db2.gz KGSLGZUFZGSMFV-MRVPVSSYSA-N 0 3 194.282 1.425 20 0 ADADHN CCC[C@H](C)CCNC(=O)C1(N)CC1 1119364101 757757714 /nfs/dbraw/zinc/75/77/14/757757714.db2.gz BSOBLWGZHBWOAZ-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H]1CN(Cc2nc[nH]n2)C(C)(C)C1 1119310491 757760537 /nfs/dbraw/zinc/76/05/37/757760537.db2.gz KGSLGZUFZGSMFV-MRVPVSSYSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@H]1C[N@@H+](Cc2nnc[n-]2)C(C)(C)C1 1119310491 757760593 /nfs/dbraw/zinc/76/05/93/757760593.db2.gz KGSLGZUFZGSMFV-MRVPVSSYSA-N 0 3 194.282 1.425 20 0 ADADHN CCC[C@@H](C)CCNC(=O)C1(N)CC1 1119364100 757764198 /nfs/dbraw/zinc/76/41/98/757764198.db2.gz BSOBLWGZHBWOAZ-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@@H]1CN(Cc2nc[nH]n2)C(C)(C)C1 1119310492 757764360 /nfs/dbraw/zinc/76/43/60/757764360.db2.gz KGSLGZUFZGSMFV-QMMMGPOBSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@@H]1C[N@H+](Cc2nnc[n-]2)C(C)(C)C1 1119310492 757764384 /nfs/dbraw/zinc/76/43/84/757764384.db2.gz KGSLGZUFZGSMFV-QMMMGPOBSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@@H]1C[N@@H+](Cc2nnc[n-]2)C(C)(C)C1 1119310492 757764411 /nfs/dbraw/zinc/76/44/11/757764411.db2.gz KGSLGZUFZGSMFV-QMMMGPOBSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@@H]1OCC[C@@]1(C)NC/C=C/Cl 235446173 573042085 /nfs/dbraw/zinc/04/20/85/573042085.db2.gz GAMOBMLRSCWDRY-AFRAPRFESA-N 0 3 189.686 1.896 20 0 ADADHN O[C@@H](CNCCF)Cc1ccccc1 1120571275 757812046 /nfs/dbraw/zinc/81/20/46/757812046.db2.gz ZKKACFLSCVUMOD-LLVKDONJSA-N 0 3 197.253 1.149 20 0 ADADHN CC[C@@H](NC[C@H](C)O)c1ccccn1 1120519130 757811190 /nfs/dbraw/zinc/81/11/90/757811190.db2.gz BYLYUNQQNXCNGO-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN O[C@H](CNCCF)Cc1ccccc1 1120571277 757811268 /nfs/dbraw/zinc/81/12/68/757811268.db2.gz ZKKACFLSCVUMOD-NSHDSACASA-N 0 3 197.253 1.149 20 0 ADADHN Cc1cccnc1[C@H](C)NC[C@H](C)O 1120566592 757811309 /nfs/dbraw/zinc/81/13/09/757811309.db2.gz PVPPDTLUKNHIMA-UWVGGRQHSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1cccnc1[C@@H](C)NC[C@H](C)O 1120566593 757812581 /nfs/dbraw/zinc/81/25/81/757812581.db2.gz PVPPDTLUKNHIMA-VHSXEESVSA-N 0 3 194.278 1.421 20 0 ADADHN CC[C@@H](NC[C@@H](C)O)c1ccccn1 1120607147 757813971 /nfs/dbraw/zinc/81/39/71/757813971.db2.gz BYLYUNQQNXCNGO-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](O)CN(C)CCC(F)(F)F 82491807 573076843 /nfs/dbraw/zinc/07/68/43/573076843.db2.gz FISGAHAEWKIHBT-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN c1ccc2c(c1)C[C@@H]2COC1CNC1 85574925 573080080 /nfs/dbraw/zinc/08/00/80/573080080.db2.gz BGONRVVKQOITNT-SNVBAGLBSA-N 0 3 189.258 1.315 20 0 ADADHN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)CN 1122225373 757833372 /nfs/dbraw/zinc/83/33/72/757833372.db2.gz VSWAMHNKFZZZGB-BDAKNGLRSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)CN 1122225374 757833834 /nfs/dbraw/zinc/83/38/34/757833834.db2.gz VSWAMHNKFZZZGB-DTWKUNHWSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)CN 1122225376 757834024 /nfs/dbraw/zinc/83/40/24/757834024.db2.gz VSWAMHNKFZZZGB-RKDXNWHRSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)CN 1122225375 757834517 /nfs/dbraw/zinc/83/45/17/757834517.db2.gz VSWAMHNKFZZZGB-IUCAKERBSA-N 0 3 198.310 1.276 20 0 ADADHN CCCCC1(NC(=O)[C@@H](C)N)CC1 1122377471 757835933 /nfs/dbraw/zinc/83/59/33/757835933.db2.gz QEHJDJMXIKFUAA-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN Cc1cc(CNCCC(C)C)ncn1 308497277 573083818 /nfs/dbraw/zinc/08/38/18/573083818.db2.gz DUXSMWKLUBCSGP-UHFFFAOYSA-N 0 3 193.294 1.921 20 0 ADADHN C[C@@H]1CC[C@H]1NC[C@@H](O)C(F)(F)F 308267213 573117807 /nfs/dbraw/zinc/11/78/07/573117807.db2.gz QGJZGFNNODMHEL-FSDSQADBSA-N 0 3 197.200 1.298 20 0 ADADHN C/C=C/C(=O)NC[C@H]1CCCN(C)C1 82605352 573121652 /nfs/dbraw/zinc/12/16/52/573121652.db2.gz HDFRYAXHXNZSJC-RXNUUUNCSA-N 0 3 196.294 1.021 20 0 ADADHN CCc1ccccc1[C@@H](N)[C@@H](C)O 104672030 573157283 /nfs/dbraw/zinc/15/72/83/573157283.db2.gz JSMGPFUDSSMWIF-KCJUWKMLSA-N 0 3 179.263 1.630 20 0 ADADHN CC(C)CCN[C@@H](C)c1ncnn1C 308517040 573189200 /nfs/dbraw/zinc/18/92/00/573189200.db2.gz NBYYORSPCQFWGM-VIFPVBQESA-N 0 3 196.298 1.512 20 0 ADADHN CCC(=O)CCN(C)C[C@@H](C)OC 308308216 573204995 /nfs/dbraw/zinc/20/49/95/573204995.db2.gz PMFXNWZRIIYLSH-SECBINFHSA-N 0 3 187.283 1.322 20 0 ADADHN CC[C@](C)(CC(=O)OC)NCCF 308318399 573220993 /nfs/dbraw/zinc/22/09/93/573220993.db2.gz XDBPLGRFEACAAU-SECBINFHSA-N 0 3 191.246 1.277 20 0 ADADHN CC(C)NCC(=O)N[C@@H]1CC[C@H](C)C1 129095022 573227011 /nfs/dbraw/zinc/22/70/11/573227011.db2.gz MWYWKOUMXXIZKX-VHSXEESVSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H](NCc1cnn(C)n1)C1CCC1 308529069 573239134 /nfs/dbraw/zinc/23/91/34/573239134.db2.gz QEKVOUAHQWONMX-QMMMGPOBSA-N 0 3 194.282 1.093 20 0 ADADHN CCOC(=O)/C=C\CN1CC[C@@H](C)C1 308324116 573240994 /nfs/dbraw/zinc/24/09/94/573240994.db2.gz UQCMKLHPWPGCLP-UMCURTJPSA-N 0 3 197.278 1.448 20 0 ADADHN CCCN[C@H](C)c1cn(C(C)C)nn1 308523525 573246505 /nfs/dbraw/zinc/24/65/05/573246505.db2.gz ZLBYVUVWGUZVGL-SECBINFHSA-N 0 3 196.298 1.920 20 0 ADADHN CCCCN(C)C/C=C\C(=O)OCC 308323108 573246635 /nfs/dbraw/zinc/24/66/35/573246635.db2.gz ROYPZHZDHDWJGF-FPLPWBNLSA-N 0 3 199.294 1.838 20 0 ADADHN CCOC(=O)/C=C\CN1CCC[C@H]1C 308323105 573247049 /nfs/dbraw/zinc/24/70/49/573247049.db2.gz RMZFMUCABFJCHK-ONRRBMGISA-N 0 3 197.278 1.590 20 0 ADADHN CCCN(CC)Cc1cc(C)n[nH]1 393580233 573280906 /nfs/dbraw/zinc/28/09/06/573280906.db2.gz GKCYOPZYCCZMHB-UHFFFAOYSA-N 0 3 181.283 1.950 20 0 ADADHN CCCN(CC)Cc1cc(C)[nH]n1 393580233 573280909 /nfs/dbraw/zinc/28/09/09/573280909.db2.gz GKCYOPZYCCZMHB-UHFFFAOYSA-N 0 3 181.283 1.950 20 0 ADADHN CCC(CC)CNCc1cnn(C)n1 308545894 573314229 /nfs/dbraw/zinc/31/42/29/573314229.db2.gz VQYNQWOQDXGSPX-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN O=C(NC1CCCCC1)OC1CNC1 86230788 573323988 /nfs/dbraw/zinc/32/39/88/573323988.db2.gz HGYPRXBWAPRPEO-UHFFFAOYSA-N 0 3 198.266 1.017 20 0 ADADHN CCCNCc1ocnc1C 74342852 573328279 /nfs/dbraw/zinc/32/82/79/573328279.db2.gz MSECUXKDBFYEMU-UHFFFAOYSA-N 0 3 154.213 1.483 20 0 ADADHN c1c[nH]c(CN[C@@H]2CC[C@H]2C2CC2)n1 308556707 573344911 /nfs/dbraw/zinc/34/49/11/573344911.db2.gz ZSHMPIMUYAALHZ-VHSXEESVSA-N 0 3 191.278 1.688 20 0 ADADHN c1c[nH]c(CN[C@@H]2CC[C@@H]2C2CC2)n1 308556705 573347041 /nfs/dbraw/zinc/34/70/41/573347041.db2.gz ZSHMPIMUYAALHZ-NXEZZACHSA-N 0 3 191.278 1.688 20 0 ADADHN CC(C)(C)[C@@H](N)CF 107114511 573347100 /nfs/dbraw/zinc/34/71/00/573347100.db2.gz YMCXJINCUJCJLH-YFKPBYRVSA-N 0 3 119.183 1.329 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@H]1CC[C@H]1C 308559155 573352230 /nfs/dbraw/zinc/35/22/30/573352230.db2.gz WFUDHJYCQSUDSW-UTLUCORTSA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]1C 308559154 573353456 /nfs/dbraw/zinc/35/34/56/573353456.db2.gz WFUDHJYCQSUDSW-LPEHRKFASA-N 0 3 198.310 1.419 20 0 ADADHN CCN(CC(=O)NC(C)C)C(C)C 308375687 573374941 /nfs/dbraw/zinc/37/49/41/573374941.db2.gz SAVSXJSEGSIESZ-UHFFFAOYSA-N 0 3 186.299 1.241 20 0 ADADHN CCOCCCN[C@@H](C)c1ncc[nH]1 308574674 573405928 /nfs/dbraw/zinc/40/59/28/573405928.db2.gz DAKLJYNXEVUJCS-VIFPVBQESA-N 0 3 197.282 1.487 20 0 ADADHN CC[C@H](CO)NCc1cccnc1C 133627058 573423307 /nfs/dbraw/zinc/42/33/07/573423307.db2.gz FGDAYCIRZDUJAY-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN C[C@@H]1CCCN1c1ccnc(CO)c1 40863732 571964061 /nfs/dbraw/zinc/96/40/61/571964061.db2.gz UHQZAAPHPJWGMT-SECBINFHSA-N 0 3 192.262 1.563 20 0 ADADHN CNc1ccccc1CN(C)CCO 234478477 571978117 /nfs/dbraw/zinc/97/81/17/571978117.db2.gz CFNYZSWACIAETI-UHFFFAOYSA-N 0 3 194.278 1.152 20 0 ADADHN COc1ncc(F)cc1[C@H](N)C(C)C 238415058 573481537 /nfs/dbraw/zinc/48/15/37/573481537.db2.gz AWEUXCDERMPISJ-SECBINFHSA-N 0 3 198.241 1.885 20 0 ADADHN CCc1cc(CN[C@H](C)COC)n[nH]1 308596282 573481583 /nfs/dbraw/zinc/48/15/83/573481583.db2.gz MQNOBNBSJFZLGF-MRVPVSSYSA-N 0 3 197.282 1.097 20 0 ADADHN CCc1cc(CN[C@H](C)COC)[nH]n1 308596282 573481587 /nfs/dbraw/zinc/48/15/87/573481587.db2.gz MQNOBNBSJFZLGF-MRVPVSSYSA-N 0 3 197.282 1.097 20 0 ADADHN CCC[C@@H](O)CN1CCC[C@@H](F)C1 689437959 572008920 /nfs/dbraw/zinc/00/89/20/572008920.db2.gz RBBOJSAKEWSMKU-NXEZZACHSA-N 0 3 189.274 1.581 20 0 ADADHN COc1ncc(F)cc1[C@@H](C)N 238414756 573485188 /nfs/dbraw/zinc/48/51/88/573485188.db2.gz SNKPNKLWTBUEMR-RXMQYKEDSA-N 0 3 170.187 1.249 20 0 ADADHN Oc1cccc(CN[C@H]2CCOC2)c1 75120876 573490599 /nfs/dbraw/zinc/49/05/99/573490599.db2.gz SXZGPYMJBVCRJV-JTQLQIEISA-N 0 3 193.246 1.271 20 0 ADADHN C/C=C/C(=O)N(C)CCN1CCCC1 82419239 572026712 /nfs/dbraw/zinc/02/67/12/572026712.db2.gz IKJNMSXGIMEOJS-ZZXKWVIFSA-N 0 3 196.294 1.117 20 0 ADADHN CCCCC[C@H](C)NC(=O)[C@H](C)N 36135768 572036605 /nfs/dbraw/zinc/03/66/05/572036605.db2.gz RWRQCWIFYLCTJL-IUCAKERBSA-N 0 3 186.299 1.419 20 0 ADADHN C[C@H]1N[C@H](C)CC(C)(C)O1 34109256 572055202 /nfs/dbraw/zinc/05/52/02/572055202.db2.gz IQNOEDWQOFXIRN-RQJHMYQMSA-N 0 3 143.230 1.509 20 0 ADADHN CCCCCCNC(=O)[C@@H](N)CC 36871894 572071966 /nfs/dbraw/zinc/07/19/66/572071966.db2.gz IZXFTANPKIZNPT-VIFPVBQESA-N 0 3 186.299 1.420 20 0 ADADHN C[C@H]1C[C@@H](C)CN(CCF)C1 306991724 572663412 /nfs/dbraw/zinc/66/34/12/572663412.db2.gz KKWMUOMXJAACCA-DTORHVGOSA-N 0 3 159.248 1.934 20 0 ADADHN CC[C@@H](C)NCc1c[nH]cn1 54762870 572721695 /nfs/dbraw/zinc/72/16/95/572721695.db2.gz DZOUQZOCURISOS-SSDOTTSWSA-N 0 3 153.229 1.298 20 0 ADADHN C=CC=CCCNCc1nc(C)c[nH]1 713491179 572754445 /nfs/dbraw/zinc/75/44/45/572754445.db2.gz OCRRXUJIWJMVPD-PLNGDYQASA-N 0 3 191.278 1.940 20 0 ADADHN CNCC(=O)CC1=CCCC1 307652573 572757901 /nfs/dbraw/zinc/75/79/01/572757901.db2.gz KBBSQRHOKXKBOI-UHFFFAOYSA-N 0 3 153.225 1.275 20 0 ADADHN C[C@@H](CNCc1cn(C)cn1)C1CC1 308611445 573546150 /nfs/dbraw/zinc/54/61/50/573546150.db2.gz MZDOPGWAUXIWBF-VIFPVBQESA-N 0 3 193.294 1.556 20 0 ADADHN CCCC(=O)C1(NC)CCC1 307758672 572776945 /nfs/dbraw/zinc/77/69/45/572776945.db2.gz PKLMXILWMGJNTQ-UHFFFAOYSA-N 0 3 155.241 1.498 20 0 ADADHN CCN[C@@H](C)c1ccn(C)n1 83574037 573559638 /nfs/dbraw/zinc/55/96/38/573559638.db2.gz BBNSNGCASPANKS-ZETCQYMHSA-N 0 3 153.229 1.091 20 0 ADADHN CCCC1CCN(C(=O)[C@H](C)N)CC1 50906105 573561224 /nfs/dbraw/zinc/56/12/24/573561224.db2.gz HRVRQGDATLUXHH-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H](NCc1cnc[nH]1)c1ccc[nH]1 308624877 573568276 /nfs/dbraw/zinc/56/82/76/573568276.db2.gz VMOVYCMRUUFLIE-QMMMGPOBSA-N 0 3 190.250 1.589 20 0 ADADHN CCCCC(=O)NCCN(C)CC 308230300 573029925 /nfs/dbraw/zinc/02/99/25/573029925.db2.gz OLKSWIRYOFEFRF-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CC1CC(NC(=O)[C@@H](N)CC2CC2)C1 308495021 573065486 /nfs/dbraw/zinc/06/54/86/573065486.db2.gz SNMARBQFCUNTTO-GDRRJGKNSA-N 0 3 196.294 1.029 20 0 ADADHN c1ccc2c(c1)C[C@H]2COC1CNC1 85574928 573081409 /nfs/dbraw/zinc/08/14/09/573081409.db2.gz BGONRVVKQOITNT-JTQLQIEISA-N 0 3 189.258 1.315 20 0 ADADHN COC[C@@H]1CCCCN(CCF)C1 308258360 573091290 /nfs/dbraw/zinc/09/12/90/573091290.db2.gz LAQVKJNPRRTWJU-SNVBAGLBSA-N 0 3 189.274 1.704 20 0 ADADHN C[C@H](CO)N(CCF)CC1CCC1 308274291 573121435 /nfs/dbraw/zinc/12/14/35/573121435.db2.gz UMSFSJOGSACBHL-SECBINFHSA-N 0 3 189.274 1.439 20 0 ADADHN CCN1CCC[C@H](OCC2CC2)C1 393540365 573597943 /nfs/dbraw/zinc/59/79/43/573597943.db2.gz XEKRVHHQOCNYIM-NSHDSACASA-N 0 3 183.295 1.897 20 0 ADADHN CC[C@@H](N)c1c(F)cncc1F 104668581 573153229 /nfs/dbraw/zinc/15/32/29/573153229.db2.gz JNYOBOZJGRWFQC-SSDOTTSWSA-N 0 3 172.178 1.770 20 0 ADADHN CS[C@@H](C)CNCc1cc(C)n[nH]1 308308339 573211852 /nfs/dbraw/zinc/21/18/52/573211852.db2.gz PKQFUIMELQWQRU-QMMMGPOBSA-N 0 3 199.323 1.559 20 0 ADADHN CS[C@@H](C)CNCc1cc(C)[nH]n1 308308339 573211859 /nfs/dbraw/zinc/21/18/59/573211859.db2.gz PKQFUIMELQWQRU-QMMMGPOBSA-N 0 3 199.323 1.559 20 0 ADADHN CC[C@@H](O)[C@@H]1CCCCN1CCF 308308805 573212131 /nfs/dbraw/zinc/21/21/31/573212131.db2.gz PUIWKSFYEJYLPS-VHSXEESVSA-N 0 3 189.274 1.581 20 0 ADADHN CNCC(=O)N(C)c1ccc(C)cc1 50008732 573217438 /nfs/dbraw/zinc/21/74/38/573217438.db2.gz KFYXMFPIVWOYNV-UHFFFAOYSA-N 0 3 192.262 1.177 20 0 ADADHN CCOC[C@@H]1CCCN(CCF)C1 308318143 573222487 /nfs/dbraw/zinc/22/24/87/573222487.db2.gz YJTLGDXKHLYCCW-SNVBAGLBSA-N 0 3 189.274 1.704 20 0 ADADHN Cn1cnc(CNCCC2(C)CC2)c1 308519302 573223059 /nfs/dbraw/zinc/22/30/59/573223059.db2.gz QNWRHDSDUUKTGS-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN CCCC(C)(C)NCc1cnn(C)n1 308529076 573236383 /nfs/dbraw/zinc/23/63/83/573236383.db2.gz QELXWJYHRIPIMG-UHFFFAOYSA-N 0 3 196.298 1.483 20 0 ADADHN CCOC(=O)/C=C\CN1CCC[C@@H]1C 308323104 573250397 /nfs/dbraw/zinc/25/03/97/573250397.db2.gz RMZFMUCABFJCHK-BXKUYDPTSA-N 0 3 197.278 1.590 20 0 ADADHN C/C=C\C(=O)NC1(CN(C)C)CCC1 393514071 573290198 /nfs/dbraw/zinc/29/01/98/573290198.db2.gz WEHNRZBXXYNJOT-XQRVVYSFSA-N 0 3 196.294 1.163 20 0 ADADHN Cc1cn[nH]c1CNC(C)(C)CF 308364893 573361167 /nfs/dbraw/zinc/36/11/67/573361167.db2.gz HAATWELKDGIPGI-UHFFFAOYSA-N 0 3 185.246 1.556 20 0 ADADHN N[C@H]1c2ccc(Cl)cc2OC[C@H]1O 117696901 573363567 /nfs/dbraw/zinc/36/35/67/573363567.db2.gz PNXDTVQXRDLBMC-APPZFPTMSA-N 0 3 199.637 1.093 20 0 ADADHN CN[C@@H](CO)c1cccc(C)c1Cl 238370420 573368985 /nfs/dbraw/zinc/36/89/85/573368985.db2.gz RQDOSRSLRLZFIM-VIFPVBQESA-N 0 3 199.681 1.901 20 0 ADADHN OCCNCc1cc(Cl)cs1 86332302 573368695 /nfs/dbraw/zinc/36/86/95/573368695.db2.gz JUGSTQGGNFSNNF-UHFFFAOYSA-N 0 3 191.683 1.483 20 0 ADADHN CC(C)CCCCNC(=O)C1(N)CC1 133115320 573369635 /nfs/dbraw/zinc/36/96/35/573369635.db2.gz ZWCFRFJPALQBCC-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN COc1cc(C)cc([C@@H](N)[C@@H](C)O)c1 238376082 573383105 /nfs/dbraw/zinc/38/31/05/573383105.db2.gz UUQOOMMZAUMHRB-KCJUWKMLSA-N 0 3 195.262 1.384 20 0 ADADHN COc1cc(C)cc([C@@H](N)[C@H](C)O)c1 238376095 573383384 /nfs/dbraw/zinc/38/33/84/573383384.db2.gz UUQOOMMZAUMHRB-KWQFWETISA-N 0 3 195.262 1.384 20 0 ADADHN C[C@H](CCO)NCc1ccc(F)nc1 308578895 573410315 /nfs/dbraw/zinc/41/03/15/573410315.db2.gz ODHLFJINSZABCI-MRVPVSSYSA-N 0 3 198.241 1.081 20 0 ADADHN CC[C@@H]1CCC[C@H]([C@H](N)C(N)=O)C1 83144539 573421891 /nfs/dbraw/zinc/42/18/91/573421891.db2.gz GXARCVSGTRBQPT-VGMNWLOBSA-N 0 3 184.283 1.015 20 0 ADADHN CC(C)Cc1noc(C(C)(C)CN)n1 133750440 573430540 /nfs/dbraw/zinc/43/05/40/573430540.db2.gz ORPHCRIFFUKQGM-UHFFFAOYSA-N 0 3 197.282 1.504 20 0 ADADHN NC1(c2cnn(-c3ccccc3)c2)CC1 257817317 573453307 /nfs/dbraw/zinc/45/33/07/573453307.db2.gz CGEXZQLQOMQFAT-UHFFFAOYSA-N 0 3 199.257 1.820 20 0 ADADHN COc1ccc2c(c1C)CNC2 238400812 573453753 /nfs/dbraw/zinc/45/37/53/573453753.db2.gz WKEIRMSGNMPHOR-UHFFFAOYSA-N 0 3 163.220 1.607 20 0 ADADHN NC[C@H](F)COCc1ccccc1 107257774 573453880 /nfs/dbraw/zinc/45/38/80/573453880.db2.gz MWKNRKBHGDHVRT-JTQLQIEISA-N 0 3 183.226 1.500 20 0 ADADHN Cn1cnc(CNCCC(C)(C)C)c1 308592874 573467710 /nfs/dbraw/zinc/46/77/10/573467710.db2.gz WPQKTFAVBNPLJK-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN CC(C)CCCNCc1cn(C)cn1 308592381 573467363 /nfs/dbraw/zinc/46/73/63/573467363.db2.gz WFIVKTOXAMZXCS-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1nc[nH]n1 83390676 573480867 /nfs/dbraw/zinc/48/08/67/573480867.db2.gz LUKIGDPINXIQTA-HTQZYQBOSA-N 0 3 180.255 1.083 20 0 ADADHN C=Cc1ccc([C@H](N)[C@@H](C)O)cc1 238419736 573505597 /nfs/dbraw/zinc/50/55/97/573505597.db2.gz CQTOCYBCTVVZNP-LDYMZIIASA-N 0 3 177.247 1.710 20 0 ADADHN CO[C@H](C)CCNCc1cc(C)n[nH]1 308612575 573521761 /nfs/dbraw/zinc/52/17/61/573521761.db2.gz RBSMDFNHLGZYNA-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN Cn1cnc(CNCCC2CCC2)c1 308607201 573524268 /nfs/dbraw/zinc/52/42/68/573524268.db2.gz IYVMJQAQXCDNHM-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN Cc1cccc2c1nc(N)n2C 95930542 573575461 /nfs/dbraw/zinc/57/54/61/573575461.db2.gz CBMSIHURXLJUDF-UHFFFAOYSA-N 0 3 161.208 1.464 20 0 ADADHN CC(C)(CO)NCc1ccc(F)nc1 308645496 573597271 /nfs/dbraw/zinc/59/72/71/573597271.db2.gz HHFTZVZHFVRGOJ-UHFFFAOYSA-N 0 3 198.241 1.081 20 0 ADADHN Cc1ccc(CN[C@@H]2COC[C@H]2C)o1 687962682 573613561 /nfs/dbraw/zinc/61/35/61/573613561.db2.gz FCFWDBHULVCHNZ-LDYMZIIASA-N 0 3 195.262 1.713 20 0 ADADHN Cc1ccc(CN[C@@H]2COC[C@@H]2C)o1 687962676 573614330 /nfs/dbraw/zinc/61/43/30/573614330.db2.gz FCFWDBHULVCHNZ-GZMMTYOYSA-N 0 3 195.262 1.713 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1cccc(F)n1 308642511 573614493 /nfs/dbraw/zinc/61/44/93/573614493.db2.gz FMNUPGPTPRVFFX-DTWKUNHWSA-N 0 3 194.253 1.966 20 0 ADADHN CC[C@](C)(N)C(=O)N[C@@H]1CCC[C@@H]1C 86806588 573627162 /nfs/dbraw/zinc/62/71/62/573627162.db2.gz XCNGTLFVZAGZAG-NGZCFLSTSA-N 0 3 198.310 1.419 20 0 ADADHN CC1(C)CCC[C@H]1NCc1nc[nH]n1 86856874 573654981 /nfs/dbraw/zinc/65/49/81/573654981.db2.gz VTNVFPWUEPDCQM-MRVPVSSYSA-N 0 3 194.282 1.473 20 0 ADADHN CC1(C)CCC[C@H]1NCc1nnc[nH]1 86856874 573654984 /nfs/dbraw/zinc/65/49/84/573654984.db2.gz VTNVFPWUEPDCQM-MRVPVSSYSA-N 0 3 194.282 1.473 20 0 ADADHN C1CCC(=C2CNC2)C1 86882109 573679140 /nfs/dbraw/zinc/67/91/40/573679140.db2.gz HXFMEIGOHYVSKD-UHFFFAOYSA-N 0 3 123.199 1.460 20 0 ADADHN C[C@@H]1CC[C@H](NCc2ncnn2C)C1 122035303 573685903 /nfs/dbraw/zinc/68/59/03/573685903.db2.gz GBPWPSJLVXYQOY-BDAKNGLRSA-N 0 3 194.282 1.093 20 0 ADADHN C1CC2(C1)C[C@@H](OC1CNC1)CCO2 86905283 573687955 /nfs/dbraw/zinc/68/79/55/573687955.db2.gz DEFGYQZGXTXSDW-VIFPVBQESA-N 0 3 197.278 1.077 20 0 ADADHN CC(C)CCCCNC(=O)[C@H](C)N 130729398 573693209 /nfs/dbraw/zinc/69/32/09/573693209.db2.gz KTNBRNYRCBTAEW-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN OC1(CNC/C=C/Cl)CCC1 236487279 573693606 /nfs/dbraw/zinc/69/36/06/573693606.db2.gz ZUDRWMNPOAOJMM-GORDUTHDSA-N 0 3 175.659 1.244 20 0 ADADHN C[C@@H]1C[C@@H](NCc2c[nH]cn2)CS1 86936321 573702642 /nfs/dbraw/zinc/70/26/42/573702642.db2.gz KPEAJSXWRDRNKY-HTQZYQBOSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@@H]1C[C@@H](NCc2cnc[nH]2)CS1 86936321 573702647 /nfs/dbraw/zinc/70/26/47/573702647.db2.gz KPEAJSXWRDRNKY-HTQZYQBOSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H]1C[C@H](NCc2c[nH]cn2)CS1 86936320 573706330 /nfs/dbraw/zinc/70/63/30/573706330.db2.gz KPEAJSXWRDRNKY-YUMQZZPRSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H]1C[C@H](NCc2cnc[nH]2)CS1 86936320 573706342 /nfs/dbraw/zinc/70/63/42/573706342.db2.gz KPEAJSXWRDRNKY-YUMQZZPRSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H](N[C@H]1COC[C@@H]1C)c1ccco1 687966105 573730845 /nfs/dbraw/zinc/73/08/45/573730845.db2.gz MNRJMASEYIVWHI-GUBZILKMSA-N 0 3 195.262 1.965 20 0 ADADHN C[C@H](N[C@H]1COC[C@H]1C)c1ccco1 687966114 573735015 /nfs/dbraw/zinc/73/50/15/573735015.db2.gz MNRJMASEYIVWHI-UTLUCORTSA-N 0 3 195.262 1.965 20 0 ADADHN C/C=C/C(=O)NC1CCN(CC)CC1 87031628 573742846 /nfs/dbraw/zinc/74/28/46/573742846.db2.gz CWJATVDNTOVXRF-HWKANZROSA-N 0 3 196.294 1.163 20 0 ADADHN c1nc(CN[C@H]2CCCSC2)c[nH]1 84081034 573760355 /nfs/dbraw/zinc/76/03/55/573760355.db2.gz XPAAKSHRJYTOSM-QMMMGPOBSA-N 0 3 197.307 1.395 20 0 ADADHN c1ncc(CN[C@H]2CCCSC2)[nH]1 84081034 573760357 /nfs/dbraw/zinc/76/03/57/573760357.db2.gz XPAAKSHRJYTOSM-QMMMGPOBSA-N 0 3 197.307 1.395 20 0 ADADHN CN(CC1CC1)c1ccnc(CO)c1 40879213 573773088 /nfs/dbraw/zinc/77/30/88/573773088.db2.gz SGZPZWVEVAGLNI-UHFFFAOYSA-N 0 3 192.262 1.420 20 0 ADADHN CCCN(C)c1ccnc(CO)c1 40865227 573774315 /nfs/dbraw/zinc/77/43/15/573774315.db2.gz OJWFOAHAJVONRA-UHFFFAOYSA-N 0 3 180.251 1.420 20 0 ADADHN CCCCN(C)c1ccnc(CO)c1 40864317 573774733 /nfs/dbraw/zinc/77/47/33/573774733.db2.gz BUVLRRFXTWSXOO-UHFFFAOYSA-N 0 3 194.278 1.810 20 0 ADADHN CCCN(CC)c1ccnc(CO)c1 40877284 573774777 /nfs/dbraw/zinc/77/47/77/573774777.db2.gz OIJBGIDIILLSLQ-UHFFFAOYSA-N 0 3 194.278 1.810 20 0 ADADHN CCCN(CCO)CCC(=O)CC 308437350 573783094 /nfs/dbraw/zinc/78/30/94/573783094.db2.gz XFSJBMYAGAOBFZ-UHFFFAOYSA-N 0 3 187.283 1.060 20 0 ADADHN Cc1cc(F)c([C@H](O)CN)cc1F 108371161 573783602 /nfs/dbraw/zinc/78/36/02/573783602.db2.gz QMOXZEBGEDEZFT-SECBINFHSA-N 0 3 187.189 1.265 20 0 ADADHN Cc1cc(F)c([C@@H](O)CN)cc1F 108371164 573786512 /nfs/dbraw/zinc/78/65/12/573786512.db2.gz QMOXZEBGEDEZFT-VIFPVBQESA-N 0 3 187.189 1.265 20 0 ADADHN C[C@H](NCc1cn(C)cn1)C1CCC1 308727270 573792493 /nfs/dbraw/zinc/79/24/93/573792493.db2.gz HFMBSDMMIBSZGH-VIFPVBQESA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H]1SCC[C@H]1NCc1c[nH]cn1 235651599 573792957 /nfs/dbraw/zinc/79/29/57/573792957.db2.gz DHAYQBCOERTJTE-VXNVDRBHSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H]1SCC[C@H]1NCc1cnc[nH]1 235651599 573792960 /nfs/dbraw/zinc/79/29/60/573792960.db2.gz DHAYQBCOERTJTE-VXNVDRBHSA-N 0 3 197.307 1.393 20 0 ADADHN Cc1c[nH]nc1CNCCC1CCC1 308726264 573793964 /nfs/dbraw/zinc/79/39/64/573793964.db2.gz GRYPUCCZLZTLKI-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN C[C@H]1COC[C@H]1NCc1ccns1 687981772 573824549 /nfs/dbraw/zinc/82/45/49/573824549.db2.gz XCNCQKYBGJCEPA-IONNQARKSA-N 0 3 198.291 1.268 20 0 ADADHN C[C@@H]1COC[C@H]1NCc1ccns1 687981781 573827358 /nfs/dbraw/zinc/82/73/58/573827358.db2.gz XCNCQKYBGJCEPA-VXNVDRBHSA-N 0 3 198.291 1.268 20 0 ADADHN CCN(C(=O)CN1CCCC1)C1CC1 308449075 573839133 /nfs/dbraw/zinc/83/91/33/573839133.db2.gz ARZPIORFBXXORC-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CCCN(CC)C(=O)[C@H](N)CC1CC1 308449933 573844671 /nfs/dbraw/zinc/84/46/71/573844671.db2.gz CARZWDHSMANNSY-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CCN1CC(C)(O)C1 84357228 573855151 /nfs/dbraw/zinc/85/51/51/573855151.db2.gz LOVOKYZSLWHMJA-UHFFFAOYSA-N 0 3 157.257 1.099 20 0 ADADHN CC1(NC(=O)[C@@H](N)CC2CC2)CCC1 308455945 573856749 /nfs/dbraw/zinc/85/67/49/573856749.db2.gz DTWRLWXGPPJSGO-VIFPVBQESA-N 0 3 196.294 1.173 20 0 ADADHN CC1(NC(=O)[C@H](N)CC2CC2)CCC1 308455944 573858047 /nfs/dbraw/zinc/85/80/47/573858047.db2.gz DTWRLWXGPPJSGO-SECBINFHSA-N 0 3 196.294 1.173 20 0 ADADHN CC(C)C1(O)CN(CC2CC2)C1 84376873 573861166 /nfs/dbraw/zinc/86/11/66/573861166.db2.gz PZESVKOQDZJKID-UHFFFAOYSA-N 0 3 169.268 1.099 20 0 ADADHN C[C@@H](N[C@H]1CCN(C)C1)c1ccoc1 87290001 573871203 /nfs/dbraw/zinc/87/12/03/573871203.db2.gz CNQWYRYIRDTLOY-KOLCDFICSA-N 0 3 194.278 1.634 20 0 ADADHN Cc1cc(F)c2c(c1)OCC[C@H]2N 238540898 573872328 /nfs/dbraw/zinc/87/23/28/573872328.db2.gz UMFHHJJCASBCSL-MRVPVSSYSA-N 0 3 181.210 1.916 20 0 ADADHN C[C@H](N[C@H]1CCN(C)C1)c1ccoc1 87290000 573873832 /nfs/dbraw/zinc/87/38/32/573873832.db2.gz CNQWYRYIRDTLOY-ONGXEEELSA-N 0 3 194.278 1.634 20 0 ADADHN C[C@@H](N[C@@H]1CCN(C)C1)c1ccoc1 87289999 573873882 /nfs/dbraw/zinc/87/38/82/573873882.db2.gz CNQWYRYIRDTLOY-MWLCHTKSSA-N 0 3 194.278 1.634 20 0 ADADHN CCC[C@@]1(CO)CCN(CCF)C1 308460322 573874250 /nfs/dbraw/zinc/87/42/50/573874250.db2.gz HEAROWAAARMVKQ-SNVBAGLBSA-N 0 3 189.274 1.440 20 0 ADADHN CC[C@@H]1CC[C@H](C)N(C(=O)CNC)C1 308459786 573875682 /nfs/dbraw/zinc/87/56/82/573875682.db2.gz FYRGIBXJZFATCH-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CCC[C@]1(CO)CCN(CCF)C1 308460319 573877827 /nfs/dbraw/zinc/87/78/27/573877827.db2.gz HEAROWAAARMVKQ-JTQLQIEISA-N 0 3 189.274 1.440 20 0 ADADHN C[C@H](O)[C@@H](C)N(C)Cc1ccccn1 44133610 573885427 /nfs/dbraw/zinc/88/54/27/573885427.db2.gz LHXPBUUFXIDVLE-ZJUUUORDSA-N 0 3 194.278 1.283 20 0 ADADHN C[C@@H]([C@@H](C)O)N(C)Cc1cccnc1 44134028 573885534 /nfs/dbraw/zinc/88/55/34/573885534.db2.gz LKDZNZCSRCNVBT-VHSXEESVSA-N 0 3 194.278 1.283 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C)C1 102277421 573895552 /nfs/dbraw/zinc/89/55/52/573895552.db2.gz UWEFXRGNNCDIFU-OPRDCNLKSA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H](C)C1 102277416 573896016 /nfs/dbraw/zinc/89/60/16/573896016.db2.gz UWEFXRGNNCDIFU-LPEHRKFASA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CC[C@H](C)C1 102277423 573896685 /nfs/dbraw/zinc/89/66/85/573896685.db2.gz UWEFXRGNNCDIFU-IVZWLZJFSA-N 0 3 198.310 1.275 20 0 ADADHN CCCCN(CC)C(=O)CNCC 44294318 573897866 /nfs/dbraw/zinc/89/78/66/573897866.db2.gz KZSIIBROJILYHP-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CCCCCCNC(=O)CNCC 44294535 573898588 /nfs/dbraw/zinc/89/85/88/573898588.db2.gz NVQSKPCIKSOATL-UHFFFAOYSA-N 0 3 186.299 1.292 20 0 ADADHN CCNCC(=O)N[C@@H]1CCC[C@H](C)C1 44647025 573919072 /nfs/dbraw/zinc/91/90/72/573919072.db2.gz XUQUAYSVUWPTDM-VHSXEESVSA-N 0 3 198.310 1.291 20 0 ADADHN CCNCC(=O)N1CCC[C@@H](CC)C1 44647437 573918622 /nfs/dbraw/zinc/91/86/22/573918622.db2.gz FHCRWYOHLUHJLO-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CCNCC(=O)N(CC(C)C)C1CC1 44650099 573919026 /nfs/dbraw/zinc/91/90/26/573919026.db2.gz UFHPBSGAHRXVFW-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCNCC(=O)N(CC)[C@@H](C)CC 44646992 573920225 /nfs/dbraw/zinc/92/02/25/573920225.db2.gz GFONZDPRNLNQJU-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCN(C(=O)[C@@H](N)CC1CC1)C1CC1 308463091 573920268 /nfs/dbraw/zinc/92/02/68/573920268.db2.gz GXSVGYUKTHUKRD-JTQLQIEISA-N 0 3 196.294 1.125 20 0 ADADHN CCCCN(C(=O)CNCC)C1CC1 44650203 573920280 /nfs/dbraw/zinc/92/02/80/573920280.db2.gz HDNHCNWGWADNAS-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCNCC(=O)N(CC)[C@H](C)CC 44646990 573920964 /nfs/dbraw/zinc/92/09/64/573920964.db2.gz GFONZDPRNLNQJU-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCC[C@@H](C)N(C)C(=O)CNCC 44647325 573922519 /nfs/dbraw/zinc/92/25/19/573922519.db2.gz QVGYFPUIGLAUQP-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCNCC(=O)N1CCC[C@H](CC)C1 44647439 573922761 /nfs/dbraw/zinc/92/27/61/573922761.db2.gz FHCRWYOHLUHJLO-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CCC[C@H](C)N(C)C(=O)CNCC 44647328 573922801 /nfs/dbraw/zinc/92/28/01/573922801.db2.gz QVGYFPUIGLAUQP-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCNCC(=O)N[C@H]1CCC[C@H](C)C1 44647027 573923715 /nfs/dbraw/zinc/92/37/15/573923715.db2.gz XUQUAYSVUWPTDM-UWVGGRQHSA-N 0 3 198.310 1.291 20 0 ADADHN Cc1cc(CN[C@@H](C)CO)c(C)o1 127748783 573933598 /nfs/dbraw/zinc/93/35/98/573933598.db2.gz CVSNOMSBJMKNHG-ZETCQYMHSA-N 0 3 183.251 1.367 20 0 ADADHN Cc1cc(CN[C@H](C)CCO)c(C)o1 127676245 573951015 /nfs/dbraw/zinc/95/10/15/573951015.db2.gz SKLQDVNPMDGSSG-MRVPVSSYSA-N 0 3 197.278 1.757 20 0 ADADHN CC(C)C(=O)NC[C@H]1CCCCN1C 81561724 573953218 /nfs/dbraw/zinc/95/32/18/573953218.db2.gz GOWUQSQEMQTASW-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1cc(CN[C@@H](C)CCO)c(C)o1 127676025 573953964 /nfs/dbraw/zinc/95/39/64/573953964.db2.gz SKLQDVNPMDGSSG-QMMMGPOBSA-N 0 3 197.278 1.757 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N[C@H]1CC1(C)C 45136525 573954644 /nfs/dbraw/zinc/95/46/44/573954644.db2.gz IBLCHOQMUSPHGT-BDAKNGLRSA-N 0 3 198.310 1.275 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@H]1CC1(C)C 45136564 573954851 /nfs/dbraw/zinc/95/48/51/573954851.db2.gz FAVMPDAYOMPLSM-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)c1cnc2c(c1)CNCC2 238221126 573976285 /nfs/dbraw/zinc/97/62/85/573976285.db2.gz DEZDYXXFXVZYOL-UHFFFAOYSA-N 0 3 176.263 1.851 20 0 ADADHN CCNCc1cncn1CC 85182918 574000390 /nfs/dbraw/zinc/00/03/90/574000390.db2.gz KYFHMJHPJVMDIH-UHFFFAOYSA-N 0 3 153.229 1.013 20 0 ADADHN c1ncc2c(n1)CCN(CC1CC1)C2 585379579 574004172 /nfs/dbraw/zinc/00/41/72/574004172.db2.gz MYCBGLBWLBIILU-UHFFFAOYSA-N 0 3 189.262 1.245 20 0 ADADHN CSc1ccccc1[C@H](N)[C@H](C)O 104485799 574005342 /nfs/dbraw/zinc/00/53/42/574005342.db2.gz NPCXYJUMAXOZMY-OIBJUYFYSA-N 0 3 197.303 1.789 20 0 ADADHN CSc1cccc([C@H](N)[C@H](C)O)c1 104487453 574007042 /nfs/dbraw/zinc/00/70/42/574007042.db2.gz OEZDLOLXBIECOF-OIBJUYFYSA-N 0 3 197.303 1.789 20 0 ADADHN COc1cc2c(cc1F)[C@H](N)CCO2 104490390 574009480 /nfs/dbraw/zinc/00/94/80/574009480.db2.gz DVIXTWAVZVXODY-MRVPVSSYSA-N 0 3 197.209 1.617 20 0 ADADHN CSc1cccc([C@@H](N)[C@@H](C)O)c1 104490624 574009516 /nfs/dbraw/zinc/00/95/16/574009516.db2.gz OEZDLOLXBIECOF-XCBNKYQSSA-N 0 3 197.303 1.789 20 0 ADADHN CSc1cccc([C@@H](N)[C@H](C)O)c1 104490618 574009586 /nfs/dbraw/zinc/00/95/86/574009586.db2.gz OEZDLOLXBIECOF-XVKPBYJWSA-N 0 3 197.303 1.789 20 0 ADADHN CSc1cccc([C@H](N)[C@@H](C)O)c1 104490632 574009620 /nfs/dbraw/zinc/00/96/20/574009620.db2.gz OEZDLOLXBIECOF-GMSGAONNSA-N 0 3 197.303 1.789 20 0 ADADHN CSc1ccccc1[C@@H](N)[C@@H](C)O 104490596 574009691 /nfs/dbraw/zinc/00/96/91/574009691.db2.gz NPCXYJUMAXOZMY-XCBNKYQSSA-N 0 3 197.303 1.789 20 0 ADADHN CC(C)CN1CCc2ncncc2C1 585380475 574011014 /nfs/dbraw/zinc/01/10/14/574011014.db2.gz YDGOXLWIPQERAO-UHFFFAOYSA-N 0 3 191.278 1.491 20 0 ADADHN CSc1ccccc1[C@@H](N)[C@H](C)O 104490591 574011218 /nfs/dbraw/zinc/01/12/18/574011218.db2.gz NPCXYJUMAXOZMY-XVKPBYJWSA-N 0 3 197.303 1.789 20 0 ADADHN CCCN1CCc2ncncc2C1 585380358 574011339 /nfs/dbraw/zinc/01/13/39/574011339.db2.gz WQMYVBVUUCVOLS-UHFFFAOYSA-N 0 3 177.251 1.245 20 0 ADADHN CCN(C(=O)[C@@H]1NCC1(C)C)C(C)C 308882302 574011992 /nfs/dbraw/zinc/01/19/92/574011992.db2.gz QXHGANKQWCKGEW-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CCN(C(=O)[C@H]1NCC1(C)C)C(C)C 308882298 574014492 /nfs/dbraw/zinc/01/44/92/574014492.db2.gz QXHGANKQWCKGEW-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN N[C@H]1COc2cc(Cl)c(F)cc21 104504390 574019645 /nfs/dbraw/zinc/01/96/45/574019645.db2.gz AJEJEEYUCLADRJ-ZETCQYMHSA-N 0 3 187.601 1.871 20 0 ADADHN Cc1cc2c(cc1F)[C@H](N)CCO2 104511689 574022614 /nfs/dbraw/zinc/02/26/14/574022614.db2.gz CCLSQDJKHHUSKT-SECBINFHSA-N 0 3 181.210 1.916 20 0 ADADHN CSC(C)(C)CNCc1ncc[nH]1 128198937 574036526 /nfs/dbraw/zinc/03/65/26/574036526.db2.gz WLOGPAPIYPJSBL-UHFFFAOYSA-N 0 3 199.323 1.641 20 0 ADADHN C[C@H]1[C@@H](O)CCN1CCC(F)(F)F 1170324292 761047864 /nfs/dbraw/zinc/04/78/64/761047864.db2.gz MKTCJMUNVDNFAN-BQBZGAKWSA-N 0 3 197.200 1.394 20 0 ADADHN CC(C)CN1CCn2nccc2C1 1174863402 761395769 /nfs/dbraw/zinc/39/57/69/761395769.db2.gz MYBFSTZBJICKND-UHFFFAOYSA-N 0 3 179.267 1.355 20 0 ADADHN COCC[C@@H](C)CNCc1cc[nH]n1 1178958907 761466461 /nfs/dbraw/zinc/46/64/61/761466461.db2.gz SLHCATUMADFLEG-SECBINFHSA-N 0 3 197.282 1.172 20 0 ADADHN COCC[C@H](C)CNCc1cc[nH]n1 1178958909 761467531 /nfs/dbraw/zinc/46/75/31/761467531.db2.gz SLHCATUMADFLEG-VIFPVBQESA-N 0 3 197.282 1.172 20 0 ADADHN CCCCN1CCn2nccc2C1 1196411029 761704565 /nfs/dbraw/zinc/70/45/65/761704565.db2.gz XHNACANBJPCHAM-UHFFFAOYSA-N 0 3 179.267 1.499 20 0 ADADHN CCn1nnc(C)c1CNC1(C)CC1 1200526858 761730966 /nfs/dbraw/zinc/73/09/66/761730966.db2.gz XFRBGSOQBPLOQO-UHFFFAOYSA-N 0 3 194.282 1.249 20 0 ADADHN CC[C@H](C)CN1CCn2nccc2C1 1201517812 761776570 /nfs/dbraw/zinc/77/65/70/761776570.db2.gz WHDQVCSHCVJEOR-JTQLQIEISA-N 0 3 193.294 1.745 20 0 ADADHN CC[C@@H](C)CN1CCn2nccc2C1 1201517814 761779101 /nfs/dbraw/zinc/77/91/01/761779101.db2.gz WHDQVCSHCVJEOR-SNVBAGLBSA-N 0 3 193.294 1.745 20 0 ADADHN COC1(C)CN(CCC(C)C)C1 1201613586 761795442 /nfs/dbraw/zinc/79/54/42/761795442.db2.gz SMUQFLVNIWUPSC-UHFFFAOYSA-N 0 3 171.284 1.753 20 0 ADADHN CC(C)CCN1CCn2nccc2C1 1201630180 761800448 /nfs/dbraw/zinc/80/04/48/761800448.db2.gz MGIHCGIBIBURCN-UHFFFAOYSA-N 0 3 193.294 1.745 20 0 ADADHN CCCN1CCn2nccc2C1 1201651985 761804879 /nfs/dbraw/zinc/80/48/79/761804879.db2.gz CQTPBWXVQBJQFK-UHFFFAOYSA-N 0 3 165.240 1.109 20 0 ADADHN c1cc2n(n1)CCN(CC1CC1)C2 1201952296 761813312 /nfs/dbraw/zinc/81/33/12/761813312.db2.gz KQZCGCFQVPUKAQ-UHFFFAOYSA-N 0 3 177.251 1.109 20 0 ADADHN c1cc2n(n1)CCN(CC1CCC1)C2 1202792105 761829107 /nfs/dbraw/zinc/82/91/07/761829107.db2.gz IXBXEZVWZKCIJN-UHFFFAOYSA-N 0 3 191.278 1.499 20 0 ADADHN Cc1cc(CN2CCC[C@@H](C)C2)[nH]n1 1203066410 761832851 /nfs/dbraw/zinc/83/28/51/761832851.db2.gz CMOZSLTZHOOVNV-SECBINFHSA-N 0 3 193.294 1.950 20 0 ADADHN Cc1cc(CN(C)C(C)(C)C)[nH]n1 1203075349 761832890 /nfs/dbraw/zinc/83/28/90/761832890.db2.gz FNBMPMWNQVCFAI-UHFFFAOYSA-N 0 3 181.283 1.948 20 0 ADADHN Cc1cc(CN(C)CCC2CC2)n[nH]1 1203082538 761833030 /nfs/dbraw/zinc/83/30/30/761833030.db2.gz UHXAHQILGYTLMA-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN Cc1cc(CN2CCC(C)CC2)n[nH]1 1203067548 761833398 /nfs/dbraw/zinc/83/33/98/761833398.db2.gz OJWRRMIKDNXENH-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN Cc1cc(CN2CCC[C@H](C)C2)[nH]n1 1203066411 761833945 /nfs/dbraw/zinc/83/39/45/761833945.db2.gz CMOZSLTZHOOVNV-VIFPVBQESA-N 0 3 193.294 1.950 20 0 ADADHN CC[C@@H]1CCN(Cc2cc(C)n[nH]2)C1 1203084461 761834031 /nfs/dbraw/zinc/83/40/31/761834031.db2.gz XEGHICOCVNCHPH-SNVBAGLBSA-N 0 3 193.294 1.950 20 0 ADADHN Cc1cc(CN2C3CCC2CC3)[nH]n1 1203077406 761834254 /nfs/dbraw/zinc/83/42/54/761834254.db2.gz WRVUECRGODJBKP-UHFFFAOYSA-N 0 3 191.278 1.845 20 0 ADADHN Cc1cc(CN2C3CCC2CC3)n[nH]1 1203077406 761834256 /nfs/dbraw/zinc/83/42/56/761834256.db2.gz WRVUECRGODJBKP-UHFFFAOYSA-N 0 3 191.278 1.845 20 0 ADADHN Cc1cc(CN2C[C@H]3C[C@H]3C2)n[nH]1 1203071264 761834590 /nfs/dbraw/zinc/83/45/90/761834590.db2.gz JVSRUSJNPPRVHS-DTORHVGOSA-N 0 3 177.251 1.170 20 0 ADADHN c1cc2n(n1)CCN(CCC1CC1)C2 1208687251 762256858 /nfs/dbraw/zinc/25/68/58/762256858.db2.gz QIRBFUKRZLJMAP-UHFFFAOYSA-N 0 3 191.278 1.499 20 0 ADADHN CCCN1CC[C@H]1CN(C)C(=O)CC 1230568326 764518811 /nfs/dbraw/zinc/51/88/11/764518811.db2.gz JVDUATIDGXYNFL-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCC(=O)N(C)C[C@H]1CCN1C(C)C 1230562689 764519709 /nfs/dbraw/zinc/51/97/09/764519709.db2.gz SBAKHCCAFWTTSM-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CCC(=O)N(C)C[C@@H]1CCN1C(C)C 1230562683 764519786 /nfs/dbraw/zinc/51/97/86/764519786.db2.gz SBAKHCCAFWTTSM-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN CCCC(=O)N(C)C[C@@H]1CCN1CC 1230633320 764521118 /nfs/dbraw/zinc/52/11/18/764521118.db2.gz FVQLEWLQLNLHGK-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCCN1CC[C@@H]1CN(C)C(=O)CC 1230568327 764521512 /nfs/dbraw/zinc/52/15/12/764521512.db2.gz JVDUATIDGXYNFL-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCCC(=O)N(C)C[C@H]1CCN1CC 1230633321 764522352 /nfs/dbraw/zinc/52/23/52/764522352.db2.gz FVQLEWLQLNLHGK-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(Cc2nnc[nH]2)C1 1237601648 764683125 /nfs/dbraw/zinc/68/31/25/764683125.db2.gz KEWQERPSMSRZES-RKDXNWHRSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@@H]1CCCN(Cc2nnc[nH]2)CC1 1237602664 764683140 /nfs/dbraw/zinc/68/31/40/764683140.db2.gz XDQWOPLPZXNESX-SECBINFHSA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@@H]1CCCN1Cc1nnc[nH]1 1237602292 764685677 /nfs/dbraw/zinc/68/56/77/764685677.db2.gz RSRCIVYFSDTXCB-MRVPVSSYSA-N 0 3 180.255 1.179 20 0 ADADHN C[C@H]1C[C@H](C)CN(Cc2nnc[nH]2)C1 1237601646 764686800 /nfs/dbraw/zinc/68/68/00/764686800.db2.gz KEWQERPSMSRZES-IUCAKERBSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H]1C[C@@H](C)CN(Cc2nnc[nH]2)C1 1237601633 764688913 /nfs/dbraw/zinc/68/89/13/764688913.db2.gz KEWQERPSMSRZES-DTORHVGOSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H]1CCCN(Cc2nnc[nH]2)CC1 1237602665 764689073 /nfs/dbraw/zinc/68/90/73/764689073.db2.gz XDQWOPLPZXNESX-VIFPVBQESA-N 0 3 194.282 1.427 20 0 ADADHN C[C@H]1CCC[C@@H](C)N1Cc1nnc[nH]1 1237600946 764689176 /nfs/dbraw/zinc/68/91/76/764689176.db2.gz DFFMGZYUNFARFQ-DTORHVGOSA-N 0 3 194.282 1.568 20 0 ADADHN C[C@@H]1CCC[C@@H](C)N1Cc1nnc[nH]1 1237600955 764690027 /nfs/dbraw/zinc/69/00/27/764690027.db2.gz DFFMGZYUNFARFQ-RKDXNWHRSA-N 0 3 194.282 1.568 20 0 ADADHN CCC(CC)N(CC)Cc1nnc[nH]1 1237601524 764690484 /nfs/dbraw/zinc/69/04/84/764690484.db2.gz JAMOVYRIOUMATC-UHFFFAOYSA-N 0 3 196.298 1.815 20 0 ADADHN C[C@H]1CCC[C@H](C)N1Cc1nnc[nH]1 1237600951 764691605 /nfs/dbraw/zinc/69/16/05/764691605.db2.gz DFFMGZYUNFARFQ-IUCAKERBSA-N 0 3 194.282 1.568 20 0 ADADHN CCCN(CCC)Cc1nnc[nH]1 1237601471 764692123 /nfs/dbraw/zinc/69/21/23/764692123.db2.gz GPJKFQJETYMZRC-UHFFFAOYSA-N 0 3 182.271 1.427 20 0 ADADHN c1nnc(CN2C[C@H]3CCC[C@H]3C2)[nH]1 1237599634 764693051 /nfs/dbraw/zinc/69/30/51/764693051.db2.gz LIOHVHNMQBLBAP-DTORHVGOSA-N 0 3 192.266 1.037 20 0 ADADHN c1nc(CN2CC3CCC2CC3)n[nH]1 1237608787 764695050 /nfs/dbraw/zinc/69/50/50/764695050.db2.gz OZNCPCXOCXCKHU-UHFFFAOYSA-N 0 3 192.266 1.179 20 0 ADADHN c1nnc(CN2CC3CCC2CC3)[nH]1 1237608787 764695067 /nfs/dbraw/zinc/69/50/67/764695067.db2.gz OZNCPCXOCXCKHU-UHFFFAOYSA-N 0 3 192.266 1.179 20 0 ADADHN C[C@H]1[C@H](C)CCCN1Cc1nnc[nH]1 1237607485 764695808 /nfs/dbraw/zinc/69/58/08/764695808.db2.gz ZWVMKSYOWQPNGB-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@H]1CCCN(Cc2nnc[nH]2)[C@H]1C 1237607488 764696954 /nfs/dbraw/zinc/69/69/54/764696954.db2.gz ZWVMKSYOWQPNGB-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN CC(C)N(Cc1nnc[nH]1)CC1CC1 1237606739 764697148 /nfs/dbraw/zinc/69/71/48/764697148.db2.gz RETHDGBPMWUSDP-UHFFFAOYSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@H]1CCCN(Cc2nnc[nH]2)[C@@H]1C 1237607486 764698260 /nfs/dbraw/zinc/69/82/60/764698260.db2.gz ZWVMKSYOWQPNGB-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN c1nnc(CN2CCCCCCC2)[nH]1 1237608334 764698535 /nfs/dbraw/zinc/69/85/35/764698535.db2.gz JFMZSFDMWNZUDE-UHFFFAOYSA-N 0 3 194.282 1.571 20 0 ADADHN CCCN(Cc1nnc[nH]1)CC1CC1 1237603274 764699579 /nfs/dbraw/zinc/69/95/79/764699579.db2.gz PBGVLKMFOGUXQO-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@@H]1CCCCN1Cc1nnc[nH]1 1237608563 764700208 /nfs/dbraw/zinc/70/02/08/764700208.db2.gz KZXDQHCRJVVLTP-SECBINFHSA-N 0 3 194.282 1.569 20 0 ADADHN C[C@@H]1CCCN(Cc2nnc[nH]2)[C@@H]1C 1237607489 764700756 /nfs/dbraw/zinc/70/07/56/764700756.db2.gz ZWVMKSYOWQPNGB-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN CCCN(Cc1nnc[nH]1)CC(C)C 1237609785 764705514 /nfs/dbraw/zinc/70/55/14/764705514.db2.gz BOQDXYAYTZGJLO-UHFFFAOYSA-N 0 3 196.298 1.673 20 0 ADADHN CC[C@H]1CCCN1Cc1nnc[nH]1 1237609073 764705724 /nfs/dbraw/zinc/70/57/24/764705724.db2.gz RSRCIVYFSDTXCB-QMMMGPOBSA-N 0 3 180.255 1.179 20 0 ADADHN CC[C@H]1CCCCN1Cc1nnc[nH]1 1237608565 764705793 /nfs/dbraw/zinc/70/57/93/764705793.db2.gz KZXDQHCRJVVLTP-VIFPVBQESA-N 0 3 194.282 1.569 20 0 ADADHN CC[C@@H]1CCN(Cc2nnc[nH]2)C1 1237604912 764706009 /nfs/dbraw/zinc/70/60/09/764706009.db2.gz SCTGEGFGSRDYMW-MRVPVSSYSA-N 0 3 180.255 1.037 20 0 ADADHN CC[C@H](NC[C@H](C)O)c1ccccn1 1251969984 767097361 /nfs/dbraw/zinc/09/73/61/767097361.db2.gz BYLYUNQQNXCNGO-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN CC(C)Cc1noc([C@@H]2CCCN2)n1 20545652 1169060729 /nfs/dbraw/zinc/06/07/29/1169060729.db2.gz OAQWIERZORFVBR-QMMMGPOBSA-N 0 3 195.266 1.693 20 0 ADADHN CCCCC[C@H](C)NC(=O)[C@@H](C)N 36135764 1169076103 /nfs/dbraw/zinc/07/61/03/1169076103.db2.gz RWRQCWIFYLCTJL-DTWKUNHWSA-N 0 3 186.299 1.419 20 0 ADADHN Cc1nnc(CNCC(C)(C)C)n1C 40493424 1169089519 /nfs/dbraw/zinc/08/95/19/1169089519.db2.gz DIXWAQDPYNBXSN-UHFFFAOYSA-N 0 3 196.298 1.259 20 0 ADADHN CC[C@@H](C)CNCc1nnc(C)n1C 54471352 1169094858 /nfs/dbraw/zinc/09/48/58/1169094858.db2.gz CEBRTXTVRVWNTR-MRVPVSSYSA-N 0 3 196.298 1.259 20 0 ADADHN CC[C@H](C)CNCc1nnc(C)n1C 54471355 1169097471 /nfs/dbraw/zinc/09/74/71/1169097471.db2.gz CEBRTXTVRVWNTR-QMMMGPOBSA-N 0 3 196.298 1.259 20 0 ADADHN CCCNC(=O)[C@@H](N)C1CCCCC1 83342988 1169112854 /nfs/dbraw/zinc/11/28/54/1169112854.db2.gz SGEZXCQNXRFPAN-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H](NC(=O)CN)C1CCCCCC1 88169304 1169127842 /nfs/dbraw/zinc/12/78/42/1169127842.db2.gz SENCWUYTCJPYFU-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN C[C@@H](NC(=O)CN)C1CCCCCC1 88169323 1169126954 /nfs/dbraw/zinc/12/69/54/1169126954.db2.gz SENCWUYTCJPYFU-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN Cc1cnc(CN)cc1Cl 95761754 1169128848 /nfs/dbraw/zinc/12/88/48/1169128848.db2.gz FDGQAOLDLLSLSD-UHFFFAOYSA-N 0 3 156.616 1.502 20 0 ADADHN CCCN1CCC[C@@]12CCOC2=O 306445636 673916492 /nfs/dbraw/zinc/91/64/92/673916492.db2.gz QXWOKVRTKSBEKN-JTQLQIEISA-N 0 3 183.251 1.178 20 0 ADADHN CCCN1CCC[C@]12CCOC2=O 306445637 673916689 /nfs/dbraw/zinc/91/66/89/673916689.db2.gz QXWOKVRTKSBEKN-SNVBAGLBSA-N 0 3 183.251 1.178 20 0 ADADHN CC[C@@H]1C[C@H]1CN1CCOCC1 723100069 673924118 /nfs/dbraw/zinc/92/41/18/673924118.db2.gz ZUZSSNNLALEXFO-ZJUUUORDSA-N 0 3 169.268 1.365 20 0 ADADHN COC[C@H]1CCN(C/C=C\Cl)C1 308142686 673926641 /nfs/dbraw/zinc/92/66/41/673926641.db2.gz IEOUSWSWMXRYAK-MDHMXLOGSA-N 0 3 189.686 1.707 20 0 ADADHN CCN1CCC[C@H](F)C1 113071729 1169147785 /nfs/dbraw/zinc/14/77/85/1169147785.db2.gz YWMIACBICJXAAK-ZETCQYMHSA-N 0 3 131.194 1.440 20 0 ADADHN CCC(=O)CCN1CCCOCC1 308186944 673928468 /nfs/dbraw/zinc/92/84/68/673928468.db2.gz KNTAOZGWPZTWNT-UHFFFAOYSA-N 0 3 185.267 1.078 20 0 ADADHN CCN1CCC[C@@H](F)C1 113071727 1169148920 /nfs/dbraw/zinc/14/89/20/1169148920.db2.gz YWMIACBICJXAAK-SSDOTTSWSA-N 0 3 131.194 1.440 20 0 ADADHN CN(CCF)C[C@@H]1CCCC[C@H]1O 308259654 673929393 /nfs/dbraw/zinc/92/93/93/673929393.db2.gz LTBJUAJRDRPCMB-VHSXEESVSA-N 0 3 189.274 1.439 20 0 ADADHN C[C@H](O)c1ncc(CNC2CC2)s1 308279700 673929923 /nfs/dbraw/zinc/92/99/23/673929923.db2.gz WPMPSLXMXTXDGP-LURJTMIESA-N 0 3 198.291 1.448 20 0 ADADHN CO[C@@H]1CCN(CCC(F)(F)F)C1 308477374 673931420 /nfs/dbraw/zinc/93/14/20/673931420.db2.gz MGEUWPXHFXDRTM-SSDOTTSWSA-N 0 3 197.200 1.660 20 0 ADADHN CN(CCCF)Cc1cccc(=O)[nH]1 933399505 673931503 /nfs/dbraw/zinc/93/15/03/673931503.db2.gz UXGGAFJFLGHTLT-UHFFFAOYSA-N 0 3 198.241 1.579 20 0 ADADHN CCN(C)Cc1cccc(=O)[nH]1 933399945 673931574 /nfs/dbraw/zinc/93/15/74/673931574.db2.gz YRMKLKUIQDKEPH-UHFFFAOYSA-N 0 3 166.224 1.239 20 0 ADADHN COCC1(C)CCN(CCF)CC1 308499702 673931805 /nfs/dbraw/zinc/93/18/05/673931805.db2.gz VXVQDUMPOSGQHL-UHFFFAOYSA-N 0 3 189.274 1.704 20 0 ADADHN CCN1CC[C@H](F)C1 114390085 1169152533 /nfs/dbraw/zinc/15/25/33/1169152533.db2.gz WOHZPAAHKICDQP-LURJTMIESA-N 0 3 117.167 1.050 20 0 ADADHN Cc1cc(N)nc(N[C@H](C)C2CC2)n1 891692224 673933291 /nfs/dbraw/zinc/93/32/91/673933291.db2.gz KZVRJBDNACZGOG-SSDOTTSWSA-N 0 3 192.266 1.578 20 0 ADADHN Cc1cc(N)nc(N[C@@H](C)C2CC2)n1 891692225 673933298 /nfs/dbraw/zinc/93/32/98/673933298.db2.gz KZVRJBDNACZGOG-ZETCQYMHSA-N 0 3 192.266 1.578 20 0 ADADHN COCCCCN[C@@H](C)c1ncc[nH]1 308633075 673933333 /nfs/dbraw/zinc/93/33/33/673933333.db2.gz ZSCOISPHNGFZNR-VIFPVBQESA-N 0 3 197.282 1.487 20 0 ADADHN COCCCCN[C@H](C)c1ncc[nH]1 308633074 673933340 /nfs/dbraw/zinc/93/33/40/673933340.db2.gz ZSCOISPHNGFZNR-SECBINFHSA-N 0 3 197.282 1.487 20 0 ADADHN Cc1cc(N)nc(NC[C@H]2C[C@@H]2C)n1 891827320 673933543 /nfs/dbraw/zinc/93/35/43/673933543.db2.gz VVWAQCLWZMJEQG-POYBYMJQSA-N 0 3 192.266 1.435 20 0 ADADHN Cc1cc(N)nc(NC[C@@H]2C[C@@H]2C)n1 891827323 673933704 /nfs/dbraw/zinc/93/37/04/673933704.db2.gz VVWAQCLWZMJEQG-XPUUQOCRSA-N 0 3 192.266 1.435 20 0 ADADHN Cc1cc(N)nc(NC[C@@H]2C[C@H]2C)n1 891827321 673933721 /nfs/dbraw/zinc/93/37/21/673933721.db2.gz VVWAQCLWZMJEQG-SVRRBLITSA-N 0 3 192.266 1.435 20 0 ADADHN Cc1cc(N)nc(NC[C@H]2C[C@H]2C)n1 891827318 673933944 /nfs/dbraw/zinc/93/39/44/673933944.db2.gz VVWAQCLWZMJEQG-HTRCEHHLSA-N 0 3 192.266 1.435 20 0 ADADHN CCN1CC[C@@H](F)C1 114390083 1169154569 /nfs/dbraw/zinc/15/45/69/1169154569.db2.gz WOHZPAAHKICDQP-ZCFIWIBFSA-N 0 3 117.167 1.050 20 0 ADADHN CCC(CC)N[C@H](C)c1cn(C)nn1 715879609 673934248 /nfs/dbraw/zinc/93/42/48/673934248.db2.gz UFKJFZBOUNCQKY-MRVPVSSYSA-N 0 3 196.298 1.654 20 0 ADADHN C[C@H](CNC(=O)[C@@H](C)N)C(C)(C)C 162004210 673939141 /nfs/dbraw/zinc/93/91/41/673939141.db2.gz UPWFYDAVCPZKTB-HTQZYQBOSA-N 0 3 186.299 1.132 20 0 ADADHN C[C@H](N)C(=O)NC[C@@H](C)C(C)(C)C 162002741 673939319 /nfs/dbraw/zinc/93/93/19/673939319.db2.gz UPWFYDAVCPZKTB-SFYZADRCSA-N 0 3 186.299 1.132 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H](C)C1CCC1 124108266 1169166126 /nfs/dbraw/zinc/16/61/26/1169166126.db2.gz NUTQEBPIABNQLJ-CBAPKCEASA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@H](C)C1CCC1 124108429 1169166699 /nfs/dbraw/zinc/16/66/99/1169166699.db2.gz NUTQEBPIABNQLJ-APPZFPTMSA-N 0 3 184.283 1.029 20 0 ADADHN CC1(NCc2ccccn2)CC1 124424723 1169166744 /nfs/dbraw/zinc/16/67/44/1169166744.db2.gz TXHFDCSUMCXMMO-UHFFFAOYSA-N 0 3 162.236 1.724 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H](C)C1CCC1 124100611 1169167318 /nfs/dbraw/zinc/16/73/18/1169167318.db2.gz NUTQEBPIABNQLJ-IONNQARKSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H](C)C1CCC1 124100791 1169167566 /nfs/dbraw/zinc/16/75/66/1169167566.db2.gz NUTQEBPIABNQLJ-VXNVDRBHSA-N 0 3 184.283 1.029 20 0 ADADHN CC1(NCc2ccco2)CC1 124460574 1169169657 /nfs/dbraw/zinc/16/96/57/1169169657.db2.gz MFPBMXFWTMPUDA-UHFFFAOYSA-N 0 3 151.209 1.922 20 0 ADADHN CCC(CC)NCc1nncn1C 38007529 673951692 /nfs/dbraw/zinc/95/16/92/673951692.db2.gz GRMWADKKQOANQO-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN COCCCNCc1ocnc1C 894146222 673953688 /nfs/dbraw/zinc/95/36/88/673953688.db2.gz QFBAVLWMCVVXIK-UHFFFAOYSA-N 0 3 184.239 1.109 20 0 ADADHN CC1(NCc2ccc(CO)o2)CC1 126899897 1169174311 /nfs/dbraw/zinc/17/43/11/1169174311.db2.gz PRTLUODREHDGDT-UHFFFAOYSA-N 0 3 181.235 1.414 20 0 ADADHN CC(C)CNCc1ncccc1F 127773847 1169174874 /nfs/dbraw/zinc/17/48/74/1169174874.db2.gz AINSICCFWKHEHJ-UHFFFAOYSA-N 0 3 182.242 1.966 20 0 ADADHN Cc1ncoc1CNC1CCOCC1 894194789 673954756 /nfs/dbraw/zinc/95/47/56/673954756.db2.gz FQAMECGMFOMXFI-UHFFFAOYSA-N 0 3 196.250 1.252 20 0 ADADHN Cc1cc(N)nc(N[C@H]2CC2(C)C)n1 894191556 673954831 /nfs/dbraw/zinc/95/48/31/673954831.db2.gz YXKBPWKCTHYSLB-ZETCQYMHSA-N 0 3 192.266 1.578 20 0 ADADHN CCc1cc(CNCC(C)C)on1 127690615 1169175434 /nfs/dbraw/zinc/17/54/34/1169175434.db2.gz QFYGGCHVGXPCBS-UHFFFAOYSA-N 0 3 182.267 1.983 20 0 ADADHN CN(Cc1cccnc1N)C1CCC1 127799799 1169176858 /nfs/dbraw/zinc/17/68/58/1169176858.db2.gz CPAFNZKJYXYVNM-UHFFFAOYSA-N 0 3 191.278 1.648 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)C1 129038742 1169177967 /nfs/dbraw/zinc/17/79/67/1169177967.db2.gz ZIQMKRNZGSUDDC-HLTSFMKQSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CC[C@H](C)C1 129038490 1169178133 /nfs/dbraw/zinc/17/81/33/1169178133.db2.gz ZIQMKRNZGSUDDC-CIUDSAMLSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CC[C@H](C)C1 129038268 1169178271 /nfs/dbraw/zinc/17/82/71/1169178271.db2.gz ZIQMKRNZGSUDDC-YIZRAAEISA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CC[C@H](C)C1 129074286 1169178609 /nfs/dbraw/zinc/17/86/09/1169178609.db2.gz ZIQMKRNZGSUDDC-XHNCKOQMSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CC[C@H](C)C1 129074056 1169178885 /nfs/dbraw/zinc/17/88/85/1169178885.db2.gz ZIQMKRNZGSUDDC-DJLDLDEBSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CC[C@@H](C)C1 129038943 1169179552 /nfs/dbraw/zinc/17/95/52/1169179552.db2.gz ZIQMKRNZGSUDDC-VGMNWLOBSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C)C1 129097932 1169179838 /nfs/dbraw/zinc/17/98/38/1169179838.db2.gz ZIQMKRNZGSUDDC-IWSPIJDZSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CC[C@@H](C)C1 129098140 1169179982 /nfs/dbraw/zinc/17/99/82/1169179982.db2.gz ZIQMKRNZGSUDDC-HRDYMLBCSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1occc1CN[C@@H](C)[C@@H](C)O 321298875 673960393 /nfs/dbraw/zinc/96/03/93/673960393.db2.gz VGNXAMKNBSZKFE-JGVFFNPUSA-N 0 3 183.251 1.447 20 0 ADADHN Cn1ccnc1CNC1(C2CC2)CC1 393681158 673961057 /nfs/dbraw/zinc/96/10/57/673961057.db2.gz CKRQNVGLRAAZST-UHFFFAOYSA-N 0 3 191.278 1.452 20 0 ADADHN Cc1occc1CN[C@H](C)[C@H](C)O 321298876 673961103 /nfs/dbraw/zinc/96/11/03/673961103.db2.gz VGNXAMKNBSZKFE-SFYZADRCSA-N 0 3 183.251 1.447 20 0 ADADHN COC[C@@H](C)CN[C@H](C)c1ncc[nH]1 163393250 673961450 /nfs/dbraw/zinc/96/14/50/673961450.db2.gz QNXCGBBIKKMUBN-DTWKUNHWSA-N 0 3 197.282 1.343 20 0 ADADHN COC[C@H](C)CN[C@H](C)c1ncc[nH]1 163393355 673961545 /nfs/dbraw/zinc/96/15/45/673961545.db2.gz QNXCGBBIKKMUBN-RKDXNWHRSA-N 0 3 197.282 1.343 20 0 ADADHN CCCCOCCNCc1c[nH]cn1 54765158 673965272 /nfs/dbraw/zinc/96/52/72/673965272.db2.gz DOBWEIUKUFWKTE-UHFFFAOYSA-N 0 3 197.282 1.316 20 0 ADADHN CCCCOCCNCc1cnc[nH]1 54765158 673965274 /nfs/dbraw/zinc/96/52/74/673965274.db2.gz DOBWEIUKUFWKTE-UHFFFAOYSA-N 0 3 197.282 1.316 20 0 ADADHN c1nc(CNC[C@@H]2CCCCO2)c[nH]1 54765242 673965523 /nfs/dbraw/zinc/96/55/23/673965523.db2.gz NRAGONNUYLXDCI-JTQLQIEISA-N 0 3 195.266 1.068 20 0 ADADHN CC(C)C[C@@H](O)CNCc1ccco1 163731135 673965659 /nfs/dbraw/zinc/96/56/59/673965659.db2.gz GUVSEYPYISUCMI-SNVBAGLBSA-N 0 3 197.278 1.776 20 0 ADADHN c1nc(CNC[C@H]2CCCCO2)c[nH]1 54765243 673965899 /nfs/dbraw/zinc/96/58/99/673965899.db2.gz NRAGONNUYLXDCI-SNVBAGLBSA-N 0 3 195.266 1.068 20 0 ADADHN CC(C)C[C@H](O)CNCc1ccco1 163731025 673966005 /nfs/dbraw/zinc/96/60/05/673966005.db2.gz GUVSEYPYISUCMI-JTQLQIEISA-N 0 3 197.278 1.776 20 0 ADADHN CCC(CC)Cn1cc([C@H](C)N)nn1 167104909 673967706 /nfs/dbraw/zinc/96/77/06/673967706.db2.gz DIUJKGUSECQTSU-QMMMGPOBSA-N 0 3 196.298 1.734 20 0 ADADHN CCC(CC)Cn1cc([C@@H](C)N)nn1 167104803 673967712 /nfs/dbraw/zinc/96/77/12/673967712.db2.gz DIUJKGUSECQTSU-MRVPVSSYSA-N 0 3 196.298 1.734 20 0 ADADHN C[C@@H](N)c1cn(CCC(C)(C)C)nn1 167107205 673967716 /nfs/dbraw/zinc/96/77/16/673967716.db2.gz FRAYRERFUXCXGN-MRVPVSSYSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@@H](C)Cn1cc([C@@H](C)N)nn1 167098313 673967719 /nfs/dbraw/zinc/96/77/19/673967719.db2.gz BLKFVMJHNMVERK-HTQZYQBOSA-N 0 3 182.271 1.344 20 0 ADADHN CC[C@H](C)Cn1cc([C@@H](C)N)nn1 167098418 673967724 /nfs/dbraw/zinc/96/77/24/673967724.db2.gz BLKFVMJHNMVERK-JGVFFNPUSA-N 0 3 182.271 1.344 20 0 ADADHN C[C@H](N)c1cn(CCC(C)(C)C)nn1 167107114 673967742 /nfs/dbraw/zinc/96/77/42/673967742.db2.gz FRAYRERFUXCXGN-QMMMGPOBSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@@H](C)Cn1cc([C@H](C)N)nn1 167098521 673967770 /nfs/dbraw/zinc/96/77/70/673967770.db2.gz BLKFVMJHNMVERK-SFYZADRCSA-N 0 3 182.271 1.344 20 0 ADADHN CC[C@H](CO)NCc1ncccc1C 134773285 1169190142 /nfs/dbraw/zinc/19/01/42/1169190142.db2.gz ALMSENNOSPNBEY-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN COC1(CNCc2c[nH]cn2)CCC1 134661365 1169190881 /nfs/dbraw/zinc/19/08/81/1169190881.db2.gz LSSNKCWBHVQOAS-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN CC(C)=CCNCc1cc(C)nn1C 229123178 673971654 /nfs/dbraw/zinc/97/16/54/673971654.db2.gz HEFFEIPIJWQIRX-UHFFFAOYSA-N 0 3 193.294 1.784 20 0 ADADHN CC[C@@H]1C[C@H]1CN1CCOC[C@H]1C 929252334 673976763 /nfs/dbraw/zinc/97/67/63/673976763.db2.gz NBGDQALYZZSMEZ-MXWKQRLJSA-N 0 3 183.295 1.753 20 0 ADADHN CC1CC(CN2CCOC[C@H]2C)C1 929252519 673976800 /nfs/dbraw/zinc/97/68/00/673976800.db2.gz YPRMGSCLHFNBEE-HSOILSAZSA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1C[C@H]1CN1CCOC[C@@H]1C 929252333 673976825 /nfs/dbraw/zinc/97/68/25/673976825.db2.gz NBGDQALYZZSMEZ-AXFHLTTASA-N 0 3 183.295 1.753 20 0 ADADHN CC1CC(CN2CCOC[C@@H]2C)C1 929252522 673976830 /nfs/dbraw/zinc/97/68/30/673976830.db2.gz YPRMGSCLHFNBEE-YVNMAJEFSA-N 0 3 183.295 1.753 20 0 ADADHN CC1(NCc2cnccn2)CC=CC1 702112805 673979064 /nfs/dbraw/zinc/97/90/64/673979064.db2.gz AKSSVAXNOOZPLW-UHFFFAOYSA-N 0 3 189.262 1.675 20 0 ADADHN Cn1cnc(CNC2(C)CC=CC2)c1 702127662 673979293 /nfs/dbraw/zinc/97/92/93/673979293.db2.gz VCLBRMYYULKGTF-UHFFFAOYSA-N 0 3 191.278 1.618 20 0 ADADHN C1=C(CNCc2c[nH]cn2)CCC1 702326520 673979644 /nfs/dbraw/zinc/97/96/44/673979644.db2.gz RRNGWBWGUZBEJS-UHFFFAOYSA-N 0 3 177.251 1.610 20 0 ADADHN C[C@H](Cc1ccccn1)NCCF 703275654 673981863 /nfs/dbraw/zinc/98/18/63/673981863.db2.gz VPAJHLXQBCADCW-SECBINFHSA-N 0 3 182.242 1.572 20 0 ADADHN C[C@@H](Cc1ccccn1)NCCF 703275656 673981869 /nfs/dbraw/zinc/98/18/69/673981869.db2.gz VPAJHLXQBCADCW-VIFPVBQESA-N 0 3 182.242 1.572 20 0 ADADHN CN(C/C=C\Cl)C[C@H]1C[C@@H](O)C1 703764260 673983296 /nfs/dbraw/zinc/98/32/96/673983296.db2.gz HTDZRGHVGZMIJQ-NGLHGULASA-N 0 3 189.686 1.442 20 0 ADADHN CN(C/C=C/Cl)C[C@H]1C[C@@H](O)C1 703764259 673983561 /nfs/dbraw/zinc/98/35/61/673983561.db2.gz HTDZRGHVGZMIJQ-MMCMULPCSA-N 0 3 189.686 1.442 20 0 ADADHN Cc1cc(CN[C@@H]2CC[C@H]2O)sn1 704065110 673984251 /nfs/dbraw/zinc/98/42/51/673984251.db2.gz JTIWXTLUPDXBHY-RKDXNWHRSA-N 0 3 198.291 1.064 20 0 ADADHN C[C@@](O)(CNC/C=C\Cl)C(F)F 705047055 673985117 /nfs/dbraw/zinc/98/51/17/673985117.db2.gz PQLOSGOWAHUHFM-SKRYNEFJSA-N 0 3 199.628 1.345 20 0 ADADHN C[C@](O)(CNC/C=C/Cl)C(F)F 705047054 673985294 /nfs/dbraw/zinc/98/52/94/673985294.db2.gz PQLOSGOWAHUHFM-AIYRYJHASA-N 0 3 199.628 1.345 20 0 ADADHN C[C@@](O)(CNC/C=C/Cl)C(F)F 705047056 673985525 /nfs/dbraw/zinc/98/55/25/673985525.db2.gz PQLOSGOWAHUHFM-TYWZFMJISA-N 0 3 199.628 1.345 20 0 ADADHN Cc1nnc([C@H](C)NC[C@@H]2C[C@@H]2C)[nH]1 705219654 673986075 /nfs/dbraw/zinc/98/60/75/673986075.db2.gz UWBIHUHHMOMAEJ-ZKWXMUAHSA-N 0 3 194.282 1.420 20 0 ADADHN Cc1nnc([C@H](C)NC[C@@H]2C[C@H]2C)[nH]1 705219653 673986242 /nfs/dbraw/zinc/98/62/42/673986242.db2.gz UWBIHUHHMOMAEJ-FJXKBIBVSA-N 0 3 194.282 1.420 20 0 ADADHN Cc1nnc([C@H](C)NC[C@H]2C[C@@H]2C)[nH]1 705219651 673986306 /nfs/dbraw/zinc/98/63/06/673986306.db2.gz UWBIHUHHMOMAEJ-ACLDMZEESA-N 0 3 194.282 1.420 20 0 ADADHN Cc1nnc([C@H](C)NC[C@H]2C[C@H]2C)[nH]1 705219652 673986328 /nfs/dbraw/zinc/98/63/28/673986328.db2.gz UWBIHUHHMOMAEJ-BKPPORCPSA-N 0 3 194.282 1.420 20 0 ADADHN C[C@](O)(CNC/C=C\Cl)C(F)F 705047058 673986452 /nfs/dbraw/zinc/98/64/52/673986452.db2.gz PQLOSGOWAHUHFM-XDVGHUOJSA-N 0 3 199.628 1.345 20 0 ADADHN CSC1CC(NCc2ccno2)C1 706875822 673988438 /nfs/dbraw/zinc/98/84/38/673988438.db2.gz HFZBZEMGQZSLIR-UHFFFAOYSA-N 0 3 198.291 1.658 20 0 ADADHN CCc1nnc(C2CCN(C)CC2)o1 142529590 1169209384 /nfs/dbraw/zinc/20/93/84/1169209384.db2.gz LDQMVACJJMHCHI-UHFFFAOYSA-N 0 3 195.266 1.441 20 0 ADADHN C[C@H](NCC1CC1)c1cn(C)cn1 709937774 673993711 /nfs/dbraw/zinc/99/37/11/673993711.db2.gz DKLDXEXRNGGHQF-QMMMGPOBSA-N 0 3 179.267 1.481 20 0 ADADHN C[C@@H](NCC1CC1)c1cn(C)cn1 709937772 673993986 /nfs/dbraw/zinc/99/39/86/673993986.db2.gz DKLDXEXRNGGHQF-MRVPVSSYSA-N 0 3 179.267 1.481 20 0 ADADHN C[C@@H](NC1CC=CC1)c1cn(C)cn1 709948316 673994485 /nfs/dbraw/zinc/99/44/85/673994485.db2.gz ZSGNFTQTMKKSGN-SECBINFHSA-N 0 3 191.278 1.789 20 0 ADADHN COCCCN[C@H](C)c1cn(C)cn1 709978426 673994662 /nfs/dbraw/zinc/99/46/62/673994662.db2.gz ZDBJLSCRQCYORR-SECBINFHSA-N 0 3 197.282 1.107 20 0 ADADHN C[C@H](NC1CC=CC1)c1cn(C)cn1 709948318 673994693 /nfs/dbraw/zinc/99/46/93/673994693.db2.gz ZSGNFTQTMKKSGN-VIFPVBQESA-N 0 3 191.278 1.789 20 0 ADADHN C[C@@H](NCCCF)c1cn(C)cn1 709948106 673994710 /nfs/dbraw/zinc/99/47/10/673994710.db2.gz UCECMTNFQIZKRV-MRVPVSSYSA-N 0 3 185.246 1.430 20 0 ADADHN C[C@H](NCC1(C)CC1)c1cn(C)cn1 709948240 673994776 /nfs/dbraw/zinc/99/47/76/673994776.db2.gz YWWLMGGNLLQEBB-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN CCCCN[C@@H](C)c1cn(C)cn1 709941201 673994887 /nfs/dbraw/zinc/99/48/87/673994887.db2.gz WLJQUGFGQFIPQG-VIFPVBQESA-N 0 3 181.283 1.871 20 0 ADADHN C[C@H](NCCCF)c1cn(C)cn1 709948107 673994972 /nfs/dbraw/zinc/99/49/72/673994972.db2.gz UCECMTNFQIZKRV-QMMMGPOBSA-N 0 3 185.246 1.430 20 0 ADADHN COCCCN[C@@H](C)c1cn(C)cn1 709978428 673995445 /nfs/dbraw/zinc/99/54/45/673995445.db2.gz ZDBJLSCRQCYORR-VIFPVBQESA-N 0 3 197.282 1.107 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1cn(C)cn1 709948238 673995552 /nfs/dbraw/zinc/99/55/52/673995552.db2.gz YWWLMGGNLLQEBB-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN C[C@H](NC1CCC1)c1cn(C)cn1 709939019 673995604 /nfs/dbraw/zinc/99/56/04/673995604.db2.gz LNLDGFHCIHIGIN-QMMMGPOBSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H](NC1CCC1)c1cn(C)cn1 709939017 673995678 /nfs/dbraw/zinc/99/56/78/673995678.db2.gz LNLDGFHCIHIGIN-MRVPVSSYSA-N 0 3 179.267 1.623 20 0 ADADHN CCCCN[C@H](C)c1cn(C)cn1 709941198 673995715 /nfs/dbraw/zinc/99/57/15/673995715.db2.gz WLJQUGFGQFIPQG-SECBINFHSA-N 0 3 181.283 1.871 20 0 ADADHN C[C@@H]1COC[C@H]1NCc1cncs1 710836224 673997151 /nfs/dbraw/zinc/99/71/51/673997151.db2.gz ISQKPTRQRFCFNJ-VXNVDRBHSA-N 0 3 198.291 1.268 20 0 ADADHN C[C@H]1COC[C@@H]1NCc1cncs1 710836222 673997313 /nfs/dbraw/zinc/99/73/13/673997313.db2.gz ISQKPTRQRFCFNJ-CBAPKCEASA-N 0 3 198.291 1.268 20 0 ADADHN CC[C@]1(O)CCCN(CCF)C1 710640926 673997453 /nfs/dbraw/zinc/99/74/53/673997453.db2.gz PBZBLBGIZOAJAN-VIFPVBQESA-N 0 3 175.247 1.193 20 0 ADADHN CC[C@@]1(O)CCCN(CCF)C1 710640921 673997558 /nfs/dbraw/zinc/99/75/58/673997558.db2.gz PBZBLBGIZOAJAN-SECBINFHSA-N 0 3 175.247 1.193 20 0 ADADHN C[C@@H]1COC[C@@H]1NCc1cncs1 710836220 673997720 /nfs/dbraw/zinc/99/77/20/673997720.db2.gz ISQKPTRQRFCFNJ-APPZFPTMSA-N 0 3 198.291 1.268 20 0 ADADHN C[C@H]1COC[C@H]1NCc1cncs1 710836223 673997815 /nfs/dbraw/zinc/99/78/15/673997815.db2.gz ISQKPTRQRFCFNJ-IONNQARKSA-N 0 3 198.291 1.268 20 0 ADADHN C[C@H](N[C@@H]1COC[C@@H]1C)c1ccoc1 711002948 673998037 /nfs/dbraw/zinc/99/80/37/673998037.db2.gz URBRYTFAXLXLHW-ATZCPNFKSA-N 0 3 195.262 1.965 20 0 ADADHN C[C@H](N[C@H]1COC[C@@H]1C)c1ccoc1 711002951 673998262 /nfs/dbraw/zinc/99/82/62/673998262.db2.gz URBRYTFAXLXLHW-QXEWZRGKSA-N 0 3 195.262 1.965 20 0 ADADHN C[C@H](N[C@H]1COC[C@H]1C)c1ccoc1 711002956 673998589 /nfs/dbraw/zinc/99/85/89/673998589.db2.gz URBRYTFAXLXLHW-YWVKMMECSA-N 0 3 195.262 1.965 20 0 ADADHN C[C@H](N[C@@H]1COC[C@H]1C)c1ccoc1 711002953 673998619 /nfs/dbraw/zinc/99/86/19/673998619.db2.gz URBRYTFAXLXLHW-WCABBAIRSA-N 0 3 195.262 1.965 20 0 ADADHN FC[C@H]1CCN(Cc2cn[nH]c2)C1 711503333 674000161 /nfs/dbraw/zinc/00/01/61/674000161.db2.gz QRIYVHMWHVZWSQ-MRVPVSSYSA-N 0 3 183.230 1.201 20 0 ADADHN FC[C@@H]1CCCN(Cc2cn[nH]c2)C1 711498016 674000474 /nfs/dbraw/zinc/00/04/74/674000474.db2.gz NUANZEXBVBDFIP-VIFPVBQESA-N 0 3 197.257 1.591 20 0 ADADHN FC[C@H]1CCCN(Cc2cn[nH]c2)C1 711498015 674000491 /nfs/dbraw/zinc/00/04/91/674000491.db2.gz NUANZEXBVBDFIP-SECBINFHSA-N 0 3 197.257 1.591 20 0 ADADHN FC[C@@H]1CCN(Cc2cn[nH]c2)C1 711503334 674000981 /nfs/dbraw/zinc/00/09/81/674000981.db2.gz QRIYVHMWHVZWSQ-QMMMGPOBSA-N 0 3 183.230 1.201 20 0 ADADHN Cn1ccc(CNC[C@H]2C=CCC2)n1 711720733 674001591 /nfs/dbraw/zinc/00/15/91/674001591.db2.gz WGSXXXCRYOUBKJ-JTQLQIEISA-N 0 3 191.278 1.476 20 0 ADADHN Cn1ccc(CNC[C@@H]2C=CCC2)n1 711720735 674001841 /nfs/dbraw/zinc/00/18/41/674001841.db2.gz WGSXXXCRYOUBKJ-SNVBAGLBSA-N 0 3 191.278 1.476 20 0 ADADHN C1=C[C@@H](CNCc2ncc[nH]2)CC1 711758242 674002594 /nfs/dbraw/zinc/00/25/94/674002594.db2.gz HFRNYGDSVSOINA-SECBINFHSA-N 0 3 177.251 1.466 20 0 ADADHN C1=C[C@H](CNCc2ncc[nH]2)CC1 711758243 674002919 /nfs/dbraw/zinc/00/29/19/674002919.db2.gz HFRNYGDSVSOINA-VIFPVBQESA-N 0 3 177.251 1.466 20 0 ADADHN Cn1cnc(CNC[C@H]2C=CCC2)c1 711776584 674003161 /nfs/dbraw/zinc/00/31/61/674003161.db2.gz HKUMAZDCIHFRLD-JTQLQIEISA-N 0 3 191.278 1.476 20 0 ADADHN C1=C[C@@H](CNCc2cc[nH]n2)CC1 711760032 674003202 /nfs/dbraw/zinc/00/32/02/674003202.db2.gz NFMVKPHFOYJBAI-SECBINFHSA-N 0 3 177.251 1.466 20 0 ADADHN C1=C[C@H](CNCc2cc[nH]n2)CC1 711760033 674003337 /nfs/dbraw/zinc/00/33/37/674003337.db2.gz NFMVKPHFOYJBAI-VIFPVBQESA-N 0 3 177.251 1.466 20 0 ADADHN Cn1cnc(CNC[C@@H]2C=CCC2)c1 711776585 674003386 /nfs/dbraw/zinc/00/33/86/674003386.db2.gz HKUMAZDCIHFRLD-SNVBAGLBSA-N 0 3 191.278 1.476 20 0 ADADHN Cc1c[nH]c(CNC[C@H]2C=CCC2)n1 711777263 674004214 /nfs/dbraw/zinc/00/42/14/674004214.db2.gz LCIWHLODDMFPJP-JTQLQIEISA-N 0 3 191.278 1.774 20 0 ADADHN Cc1c[nH]c(CNC[C@@H]2C=CCC2)n1 711777264 674004247 /nfs/dbraw/zinc/00/42/47/674004247.db2.gz LCIWHLODDMFPJP-SNVBAGLBSA-N 0 3 191.278 1.774 20 0 ADADHN CCOC(CN1CC=CCC1)OCC 767818845 674008278 /nfs/dbraw/zinc/00/82/78/674008278.db2.gz SQKQVXXNCXNJHP-UHFFFAOYSA-N 0 3 199.294 1.647 20 0 ADADHN Cc1ccoc1CNC[C@H]1CCN1C 712584984 674011008 /nfs/dbraw/zinc/01/10/08/674011008.db2.gz DAEPUCROEGEIBF-SNVBAGLBSA-N 0 3 194.278 1.382 20 0 ADADHN CN1CC[C@H]1CNCc1ccco1 712583448 674011116 /nfs/dbraw/zinc/01/11/16/674011116.db2.gz YFZAENPIYITERI-VIFPVBQESA-N 0 3 180.251 1.073 20 0 ADADHN CN1CC[C@@H]1CNCc1ccco1 712583447 674011200 /nfs/dbraw/zinc/01/12/00/674011200.db2.gz YFZAENPIYITERI-SECBINFHSA-N 0 3 180.251 1.073 20 0 ADADHN C[C@@H](NC[C@@H]1CCN1C)c1ccco1 712586717 674011224 /nfs/dbraw/zinc/01/12/24/674011224.db2.gz OOSUGTAULFOCJR-ZJUUUORDSA-N 0 3 194.278 1.634 20 0 ADADHN Cc1ccoc1CNC[C@@H]1CCN1C 712584982 674011331 /nfs/dbraw/zinc/01/13/31/674011331.db2.gz DAEPUCROEGEIBF-JTQLQIEISA-N 0 3 194.278 1.382 20 0 ADADHN C[C@@H](NC[C@H]1CCN1C)c1ccco1 712586714 674011357 /nfs/dbraw/zinc/01/13/57/674011357.db2.gz OOSUGTAULFOCJR-NXEZZACHSA-N 0 3 194.278 1.634 20 0 ADADHN Cc1ccc(CNC[C@@H]2CCN2C)o1 712586139 674011382 /nfs/dbraw/zinc/01/13/82/674011382.db2.gz JUAGMAABLGBEHN-JTQLQIEISA-N 0 3 194.278 1.382 20 0 ADADHN C[C@H](NC[C@H]1CCN1C)c1ccco1 712586716 674011549 /nfs/dbraw/zinc/01/15/49/674011549.db2.gz OOSUGTAULFOCJR-VHSXEESVSA-N 0 3 194.278 1.634 20 0 ADADHN C[C@H](NC[C@@H]1CCN1C)c1ccco1 712586715 674011668 /nfs/dbraw/zinc/01/16/68/674011668.db2.gz OOSUGTAULFOCJR-UWVGGRQHSA-N 0 3 194.278 1.634 20 0 ADADHN Cc1ccc(CNC[C@H]2CCN2C)o1 712586140 674011678 /nfs/dbraw/zinc/01/16/78/674011678.db2.gz JUAGMAABLGBEHN-SNVBAGLBSA-N 0 3 194.278 1.382 20 0 ADADHN C=CC=CCCNCc1cc[nH]n1 713475809 674013914 /nfs/dbraw/zinc/01/39/14/674013914.db2.gz SWGZFVLCKZYNRW-ONEGZZNKSA-N 0 3 177.251 1.632 20 0 ADADHN C=C/C=C\CCNCc1ncc[nH]1 713474073 674013951 /nfs/dbraw/zinc/01/39/51/674013951.db2.gz DTNCGIYYULTZNX-ARJAWSKDSA-N 0 3 177.251 1.632 20 0 ADADHN C=C/C=C/CCNCc1cn(C)cn1 713484627 674013962 /nfs/dbraw/zinc/01/39/62/674013962.db2.gz HCHBLJPDSARXJB-SNAWJCMRSA-N 0 3 191.278 1.642 20 0 ADADHN C=C/C=C/CCNCc1ncc[nH]1 713474074 674014228 /nfs/dbraw/zinc/01/42/28/674014228.db2.gz DTNCGIYYULTZNX-ONEGZZNKSA-N 0 3 177.251 1.632 20 0 ADADHN C=CC=CCCNCc1cc[nH]n1 713475807 674014332 /nfs/dbraw/zinc/01/43/32/674014332.db2.gz SWGZFVLCKZYNRW-ARJAWSKDSA-N 0 3 177.251 1.632 20 0 ADADHN C=C/C=C\CCNCc1cn(C)cn1 713484626 674014335 /nfs/dbraw/zinc/01/43/35/674014335.db2.gz HCHBLJPDSARXJB-PLNGDYQASA-N 0 3 191.278 1.642 20 0 ADADHN CCCn1cc(CN[C@H](C)CC)nn1 714435365 674017519 /nfs/dbraw/zinc/01/75/19/674017519.db2.gz DRIPHFYIFPOUNW-SECBINFHSA-N 0 3 196.298 1.576 20 0 ADADHN CCCn1cc(CN[C@@H](C)CC)nn1 714435367 674017598 /nfs/dbraw/zinc/01/75/98/674017598.db2.gz DRIPHFYIFPOUNW-VIFPVBQESA-N 0 3 196.298 1.576 20 0 ADADHN CCCCNCc1cn(CCC)nn1 714435664 674017940 /nfs/dbraw/zinc/01/79/40/674017940.db2.gz QLFZKSYUSWQMRD-UHFFFAOYSA-N 0 3 196.298 1.578 20 0 ADADHN C[C@H](NCC1(C)CC1)c1cn(C)nn1 715886428 674022773 /nfs/dbraw/zinc/02/27/73/674022773.db2.gz VGVRQYNGUKKQGR-QMMMGPOBSA-N 0 3 194.282 1.266 20 0 ADADHN C[C@H](NC[C@@H]1C[C@H]1C)c1cn(C)nn1 715876442 674022879 /nfs/dbraw/zinc/02/28/79/674022879.db2.gz LFRWMYQGSIAIFR-VGMNWLOBSA-N 0 3 194.282 1.122 20 0 ADADHN CCCCN[C@@H](C)c1cn(C)nn1 715885247 674022881 /nfs/dbraw/zinc/02/28/81/674022881.db2.gz QXAGXXGYVHBGRM-QMMMGPOBSA-N 0 3 182.271 1.266 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H]1C)c1cn(C)nn1 715876445 674022919 /nfs/dbraw/zinc/02/29/19/674022919.db2.gz LFRWMYQGSIAIFR-XHNCKOQMSA-N 0 3 194.282 1.122 20 0 ADADHN C[C@@H](NC1CCCC1)c1cn(C)nn1 715883096 674022924 /nfs/dbraw/zinc/02/29/24/674022924.db2.gz MHZPBHVYBDGTSL-MRVPVSSYSA-N 0 3 194.282 1.408 20 0 ADADHN C[C@H](NCCC1CC1)c1cn(C)nn1 715879111 674022930 /nfs/dbraw/zinc/02/29/30/674022930.db2.gz SFSVHYZEXNEEOQ-QMMMGPOBSA-N 0 3 194.282 1.266 20 0 ADADHN CC(C)CN[C@H](C)c1cn(C)nn1 715885231 674022933 /nfs/dbraw/zinc/02/29/33/674022933.db2.gz QULCKJKZNLKTAY-MRVPVSSYSA-N 0 3 182.271 1.122 20 0 ADADHN CCC[C@@H](C)N[C@@H](C)c1cn(C)nn1 715873435 674022964 /nfs/dbraw/zinc/02/29/64/674022964.db2.gz BHQSHPSEYYDNCG-BDAKNGLRSA-N 0 3 196.298 1.654 20 0 ADADHN CCCCN[C@H](C)c1cn(C)nn1 715885246 674022979 /nfs/dbraw/zinc/02/29/79/674022979.db2.gz QXAGXXGYVHBGRM-MRVPVSSYSA-N 0 3 182.271 1.266 20 0 ADADHN C[C@@H](NCC(C)(C)C)c1cn(C)nn1 715876300 674022981 /nfs/dbraw/zinc/02/29/81/674022981.db2.gz KKJIENMMPZDSIC-MRVPVSSYSA-N 0 3 196.298 1.512 20 0 ADADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1cn(C)nn1 715876437 674023009 /nfs/dbraw/zinc/02/30/09/674023009.db2.gz LFRWMYQGSIAIFR-CIUDSAMLSA-N 0 3 194.282 1.122 20 0 ADADHN CCC(CC)N[C@@H](C)c1cn(C)nn1 715879611 674023020 /nfs/dbraw/zinc/02/30/20/674023020.db2.gz UFKJFZBOUNCQKY-QMMMGPOBSA-N 0 3 196.298 1.654 20 0 ADADHN C[C@@H](NCC1CCC1)c1cn(C)nn1 715879722 674023038 /nfs/dbraw/zinc/02/30/38/674023038.db2.gz UYGITWQDOUUQEG-MRVPVSSYSA-N 0 3 194.282 1.266 20 0 ADADHN C[C@H](N[C@@H](C)C1CC1)c1cn(C)nn1 715880459 674023095 /nfs/dbraw/zinc/02/30/95/674023095.db2.gz WAAYBJXCDUANAH-YUMQZZPRSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@@H](NCCC1CC1)c1cn(C)nn1 715879108 674023100 /nfs/dbraw/zinc/02/31/00/674023100.db2.gz SFSVHYZEXNEEOQ-MRVPVSSYSA-N 0 3 194.282 1.266 20 0 ADADHN CCC[C@@H](C)N[C@H](C)c1cn(C)nn1 715873438 674023137 /nfs/dbraw/zinc/02/31/37/674023137.db2.gz BHQSHPSEYYDNCG-RKDXNWHRSA-N 0 3 196.298 1.654 20 0 ADADHN CC(C)CCN[C@@H](C)c1cn(C)nn1 715879580 674023139 /nfs/dbraw/zinc/02/31/39/674023139.db2.gz UCCNWKXBJPHKHX-VIFPVBQESA-N 0 3 196.298 1.512 20 0 ADADHN CCCCCN[C@H](C)c1cn(C)nn1 715875416 674023141 /nfs/dbraw/zinc/02/31/41/674023141.db2.gz HTCWQOAIPQKZBM-SECBINFHSA-N 0 3 196.298 1.656 20 0 ADADHN CC(C)CCN[C@H](C)c1cn(C)nn1 715879578 674023150 /nfs/dbraw/zinc/02/31/50/674023150.db2.gz UCCNWKXBJPHKHX-SECBINFHSA-N 0 3 196.298 1.512 20 0 ADADHN C[C@H](NCC1CCC1)c1cn(C)nn1 715879725 674023168 /nfs/dbraw/zinc/02/31/68/674023168.db2.gz UYGITWQDOUUQEG-QMMMGPOBSA-N 0 3 194.282 1.266 20 0 ADADHN CC(C)CN[C@@H](C)c1cn(C)nn1 715885233 674023170 /nfs/dbraw/zinc/02/31/70/674023170.db2.gz QULCKJKZNLKTAY-QMMMGPOBSA-N 0 3 182.271 1.122 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1cn(C)nn1 715880455 674023175 /nfs/dbraw/zinc/02/31/75/674023175.db2.gz WAAYBJXCDUANAH-SFYZADRCSA-N 0 3 194.282 1.264 20 0 ADADHN CCC[C@H](C)N[C@@H](C)c1cn(C)nn1 715873437 674023184 /nfs/dbraw/zinc/02/31/84/674023184.db2.gz BHQSHPSEYYDNCG-IUCAKERBSA-N 0 3 196.298 1.654 20 0 ADADHN C[C@H](NC1CCCC1)c1cn(C)nn1 715883101 674023191 /nfs/dbraw/zinc/02/31/91/674023191.db2.gz MHZPBHVYBDGTSL-QMMMGPOBSA-N 0 3 194.282 1.408 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1cn(C)nn1 715880446 674023193 /nfs/dbraw/zinc/02/31/93/674023193.db2.gz WAAYBJXCDUANAH-HTQZYQBOSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@H](NC[C@H]1C[C@H]1C)c1cn(C)nn1 715876440 674023207 /nfs/dbraw/zinc/02/32/07/674023207.db2.gz LFRWMYQGSIAIFR-HRDYMLBCSA-N 0 3 194.282 1.122 20 0 ADADHN CCC[C@H](C)N[C@H](C)c1cn(C)nn1 715873436 674023229 /nfs/dbraw/zinc/02/32/29/674023229.db2.gz BHQSHPSEYYDNCG-DTWKUNHWSA-N 0 3 196.298 1.654 20 0 ADADHN CCCCCN[C@@H](C)c1cn(C)nn1 715875417 674023249 /nfs/dbraw/zinc/02/32/49/674023249.db2.gz HTCWQOAIPQKZBM-VIFPVBQESA-N 0 3 196.298 1.656 20 0 ADADHN C[C@H](N[C@H](C)c1cn(C)nn1)C1CC1 715880451 674023266 /nfs/dbraw/zinc/02/32/66/674023266.db2.gz WAAYBJXCDUANAH-JGVFFNPUSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@H](NCC(C)(C)C)c1cn(C)nn1 715876302 674023309 /nfs/dbraw/zinc/02/33/09/674023309.db2.gz KKJIENMMPZDSIC-QMMMGPOBSA-N 0 3 196.298 1.512 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1cn(C)nn1 715886427 674023356 /nfs/dbraw/zinc/02/33/56/674023356.db2.gz VGVRQYNGUKKQGR-MRVPVSSYSA-N 0 3 194.282 1.266 20 0 ADADHN CC[C@H]1CN(CC)CCN1CCF 831971145 674032827 /nfs/dbraw/zinc/03/28/27/674032827.db2.gz JWANLQSOHYYZRE-JTQLQIEISA-N 0 3 188.290 1.372 20 0 ADADHN CC[C@@H]1CN(CC)CCN1CCF 831971154 674033132 /nfs/dbraw/zinc/03/31/32/674033132.db2.gz JWANLQSOHYYZRE-SNVBAGLBSA-N 0 3 188.290 1.372 20 0 ADADHN CC[C@@H](C)N1CCn2nccc2C1 149844072 1169251935 /nfs/dbraw/zinc/25/19/35/1169251935.db2.gz QBFWEVZMYAANAF-SECBINFHSA-N 0 3 179.267 1.497 20 0 ADADHN CC[C@H](C)N1CCn2nccc2C1 149844278 1169252614 /nfs/dbraw/zinc/25/26/14/1169252614.db2.gz QBFWEVZMYAANAF-VIFPVBQESA-N 0 3 179.267 1.497 20 0 ADADHN CC[C@@H](CO)NCc1ncccc1C 159875415 1169261252 /nfs/dbraw/zinc/26/12/52/1169261252.db2.gz ALMSENNOSPNBEY-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN Cc1ccoc1CN[C@H]1CCN(C)C1 126496869 674042902 /nfs/dbraw/zinc/04/29/02/674042902.db2.gz UVZPRHCLBNSEIZ-JTQLQIEISA-N 0 3 194.278 1.382 20 0 ADADHN Cc1ccoc1CN[C@@H]1CCN(C)C1 126496627 674043257 /nfs/dbraw/zinc/04/32/57/674043257.db2.gz UVZPRHCLBNSEIZ-SNVBAGLBSA-N 0 3 194.278 1.382 20 0 ADADHN C=C/C=C/CCN1CC[C@](F)(CO)C1 878568248 674043497 /nfs/dbraw/zinc/04/34/97/674043497.db2.gz IUNCYRHKQYYIMV-PGLGOXFNSA-N 0 3 199.269 1.525 20 0 ADADHN C=C/C=C\CCN1CC[C@](F)(CO)C1 878568247 674043697 /nfs/dbraw/zinc/04/36/97/674043697.db2.gz IUNCYRHKQYYIMV-DLRQAJBASA-N 0 3 199.269 1.525 20 0 ADADHN C=C/C=C\CCN1CC[C@@](F)(CO)C1 878568246 674043722 /nfs/dbraw/zinc/04/37/22/674043722.db2.gz IUNCYRHKQYYIMV-BYCRGOAPSA-N 0 3 199.269 1.525 20 0 ADADHN C=C/C=C/CCN1CC[C@@](F)(CO)C1 878568249 674043843 /nfs/dbraw/zinc/04/38/43/674043843.db2.gz IUNCYRHKQYYIMV-UFFNRZRYSA-N 0 3 199.269 1.525 20 0 ADADHN Cc1ccc(CNC/C=C/CO)cn1 717578574 674048327 /nfs/dbraw/zinc/04/83/27/674048327.db2.gz SRUGUIKAWYRYCK-NSCUHMNNSA-N 0 3 192.262 1.028 20 0 ADADHN Cc1ccc(CNC/C=C\CO)cn1 717578573 674048478 /nfs/dbraw/zinc/04/84/78/674048478.db2.gz SRUGUIKAWYRYCK-IHWYPQMZSA-N 0 3 192.262 1.028 20 0 ADADHN CC(C)C[C@H](N)C(=O)N1CC=CCC1 163319737 1169268287 /nfs/dbraw/zinc/26/82/87/1169268287.db2.gz QLHBQIQAOCOINA-JTQLQIEISA-N 0 3 196.294 1.148 20 0 ADADHN CC1CC(CN(C2CC2)C2COC2)C1 930597407 674054932 /nfs/dbraw/zinc/05/49/32/674054932.db2.gz JULMNWWMUQGPRE-UHFFFAOYSA-N 0 3 195.306 1.896 20 0 ADADHN CC[C@@H]1C[C@H]1CN(C1CC1)C1COC1 930598444 674055266 /nfs/dbraw/zinc/05/52/66/674055266.db2.gz ROAKQUZBJNWPOF-ZJUUUORDSA-N 0 3 195.306 1.896 20 0 ADADHN CC(C)N1CCn2nccc2C1 165498179 1169274451 /nfs/dbraw/zinc/27/44/51/1169274451.db2.gz QGEAUMBMLUUNSH-UHFFFAOYSA-N 0 3 165.240 1.107 20 0 ADADHN C1=C[C@@H](NCc2c[nH]cn2)CCC1 165898517 1169275017 /nfs/dbraw/zinc/27/50/17/1169275017.db2.gz UUTUNHSDFWTFSY-SECBINFHSA-N 0 3 177.251 1.608 20 0 ADADHN C1=C[C@H](NCc2c[nH]cn2)CCC1 165898433 1169275101 /nfs/dbraw/zinc/27/51/01/1169275101.db2.gz UUTUNHSDFWTFSY-VIFPVBQESA-N 0 3 177.251 1.608 20 0 ADADHN C[C@]1(CNCc2c[nH]cn2)CCCO1 87233312 674059240 /nfs/dbraw/zinc/05/92/40/674059240.db2.gz LHNLSKSLIPNLPA-SNVBAGLBSA-N 0 3 195.266 1.068 20 0 ADADHN C[C@@]1(CNCc2c[nH]cn2)CCCO1 87233313 674059130 /nfs/dbraw/zinc/05/91/30/674059130.db2.gz LHNLSKSLIPNLPA-JTQLQIEISA-N 0 3 195.266 1.068 20 0 ADADHN CCOC(C)(C)CNCc1c[nH]cn1 166958047 1169280722 /nfs/dbraw/zinc/28/07/22/1169280722.db2.gz LFKRJCXJQWXOPB-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CC[C@H](NCc1nncn1C)C(C)C 38007870 674064246 /nfs/dbraw/zinc/06/42/46/674064246.db2.gz KVQIQBJWUDQYBO-VIFPVBQESA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@@H](NCc1nncn1C)C(C)C 38007871 674064502 /nfs/dbraw/zinc/06/45/02/674064502.db2.gz KVQIQBJWUDQYBO-SECBINFHSA-N 0 3 196.298 1.339 20 0 ADADHN CO[C@H](C)CNCc1ncccc1C 167073845 1169284561 /nfs/dbraw/zinc/28/45/61/1169284561.db2.gz OLXVMAPCANIUOU-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN CO[C@@H](C)CNCc1ncccc1C 167073946 1169284642 /nfs/dbraw/zinc/28/46/42/1169284642.db2.gz OLXVMAPCANIUOU-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN CC(C)(O)[C@H]1CCCN(CCF)C1 719682406 674066098 /nfs/dbraw/zinc/06/60/98/674066098.db2.gz NTWQAXBQGYVYSB-VIFPVBQESA-N 0 3 189.274 1.439 20 0 ADADHN CC(C)(O)[C@@H]1CCCN(CCF)C1 719682405 674066559 /nfs/dbraw/zinc/06/65/59/674066559.db2.gz NTWQAXBQGYVYSB-SECBINFHSA-N 0 3 189.274 1.439 20 0 ADADHN C[C@H](N[C@H]1CC[C@H]1C)c1nncn1C 306383952 674072149 /nfs/dbraw/zinc/07/21/49/674072149.db2.gz VVQLSHQCBHOJLO-VGMNWLOBSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccccn1 306420232 674072639 /nfs/dbraw/zinc/07/26/39/674072639.db2.gz YZINUPCEWMNSOF-JMJZKYOTSA-N 0 3 192.262 1.256 20 0 ADADHN CC1(C)CC[C@@H]1NCc1ccno1 306371331 674072751 /nfs/dbraw/zinc/07/27/51/674072751.db2.gz DSCCKNIHZFTESW-VIFPVBQESA-N 0 3 180.251 1.953 20 0 ADADHN C[C@H](N[C@@H]1CC[C@H]1C)c1nncn1C 306383951 674072868 /nfs/dbraw/zinc/07/28/68/674072868.db2.gz VVQLSHQCBHOJLO-HRDYMLBCSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1nncn1C 306383953 674073023 /nfs/dbraw/zinc/07/30/23/674073023.db2.gz VVQLSHQCBHOJLO-XHNCKOQMSA-N 0 3 194.282 1.264 20 0 ADADHN C1=CO[C@H](CN2CCSCC2)CC1 306434692 674073895 /nfs/dbraw/zinc/07/38/95/674073895.db2.gz KNIGTSFXRWJWNV-JTQLQIEISA-N 0 3 199.319 1.728 20 0 ADADHN CC(C)C1(O)CN(C[C@@H]2C[C@@H]2C)C1 722544888 674079224 /nfs/dbraw/zinc/07/92/24/674079224.db2.gz CFUUKVMKFCUUID-UWVGGRQHSA-N 0 3 183.295 1.345 20 0 ADADHN CC(C)C1(O)CN(C[C@H]2C[C@@H]2C)C1 722544889 674079585 /nfs/dbraw/zinc/07/95/85/674079585.db2.gz CFUUKVMKFCUUID-VHSXEESVSA-N 0 3 183.295 1.345 20 0 ADADHN CC(C)C1(O)CN(C[C@H]2C[C@H]2C)C1 722544887 674079742 /nfs/dbraw/zinc/07/97/42/674079742.db2.gz CFUUKVMKFCUUID-NXEZZACHSA-N 0 3 183.295 1.345 20 0 ADADHN CC(C)C1(O)CN(C[C@@H]2C[C@H]2C)C1 722544890 674080010 /nfs/dbraw/zinc/08/00/10/674080010.db2.gz CFUUKVMKFCUUID-ZJUUUORDSA-N 0 3 183.295 1.345 20 0 ADADHN CCN(C)C(=O)[C@H](N)C1CCCCC1 211334160 1169325533 /nfs/dbraw/zinc/32/55/33/1169325533.db2.gz OMAOBCHBLHUMGX-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CCN(C)C(=O)[C@@H](N)C1CCCCC1 211334230 1169327086 /nfs/dbraw/zinc/32/70/86/1169327086.db2.gz OMAOBCHBLHUMGX-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN C/C=C\C(=O)N(CCC)CCN(C)C 211223173 1169327888 /nfs/dbraw/zinc/32/78/88/1169327888.db2.gz KOUXSVQCDYLPCX-ALCCZGGFSA-N 0 3 198.310 1.363 20 0 ADADHN OC[C@@H]1CCCCN1C/C=C\Cl 216684562 1169336802 /nfs/dbraw/zinc/33/68/02/1169336802.db2.gz WOLIAPKEMDYQDI-LVCFMKKZSA-N 0 3 189.686 1.586 20 0 ADADHN CC(C)N(Cc1nnc[nH]1)C(C)C 225512190 1169370435 /nfs/dbraw/zinc/37/04/35/1169370435.db2.gz KQDRFSZQZYONOO-UHFFFAOYSA-N 0 3 182.271 1.424 20 0 ADADHN CCCC[C@H](N)C(=O)NCC1(C)CC1 228328040 1169380817 /nfs/dbraw/zinc/38/08/17/1169380817.db2.gz ZIHBANAHPNHRFQ-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN CCCC[C@@H](N)C(=O)NCC1(C)CC1 228450922 1169382003 /nfs/dbraw/zinc/38/20/03/1169382003.db2.gz ZIHBANAHPNHRFQ-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN CCCC[C@H](N)C(=O)NC[C@@H]1C[C@H]1C 228324697 1169382148 /nfs/dbraw/zinc/38/21/48/1169382148.db2.gz XTLGWPJCPQXZPA-UTLUCORTSA-N 0 3 198.310 1.276 20 0 ADADHN CCCC[C@H](N)C(=O)NC[C@H]1C[C@H]1C 228324704 1169382662 /nfs/dbraw/zinc/38/26/62/1169382662.db2.gz XTLGWPJCPQXZPA-BBBLOLIVSA-N 0 3 198.310 1.276 20 0 ADADHN COc1cccc(CNC2(C)CC2)n1 228839555 1169382890 /nfs/dbraw/zinc/38/28/90/1169382890.db2.gz UHACBSRZOKZISI-UHFFFAOYSA-N 0 3 192.262 1.732 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1CC 228327097 1169383515 /nfs/dbraw/zinc/38/35/15/1169383515.db2.gz NSCAQMRPUFEFEP-KXUCPTDWSA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1C 228325581 1169384236 /nfs/dbraw/zinc/38/42/36/1169384236.db2.gz JTJJZHWXLNSIRX-HRDYMLBCSA-N 0 3 184.283 1.029 20 0 ADADHN CCC(C)(C)CNCc1cc[nH]n1 230657500 1169400296 /nfs/dbraw/zinc/40/02/96/1169400296.db2.gz GGKHLHCEOAMYNI-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN CCC[C@@H](C)N1CC(O)(C(C)C)C1 233276214 1169409910 /nfs/dbraw/zinc/40/99/10/1169409910.db2.gz UAENCERQMISNDC-SNVBAGLBSA-N 0 3 185.311 1.878 20 0 ADADHN CCC[C@H](C)N1CC(O)(C(C)C)C1 233334558 1169412093 /nfs/dbraw/zinc/41/20/93/1169412093.db2.gz UAENCERQMISNDC-JTQLQIEISA-N 0 3 185.311 1.878 20 0 ADADHN FCCN1C[C@H]2CCCC[C@H]21 306377191 1169474001 /nfs/dbraw/zinc/47/40/01/1169474001.db2.gz MSCLTHYUEDSBFA-RKDXNWHRSA-N 0 3 157.232 1.830 20 0 ADADHN Cc1nnsc1CNC1(C)CC1 306390467 1169476393 /nfs/dbraw/zinc/47/63/93/1169476393.db2.gz WCTWBOKQOFZYQS-UHFFFAOYSA-N 0 3 183.280 1.489 20 0 ADADHN C[C@@H]1[C@@H](CO)CCN1C/C=C/Cl 307579895 1169528716 /nfs/dbraw/zinc/52/87/16/1169528716.db2.gz QLRCPZCCUCNOPU-HBMQMAGWSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@@H]1[C@H](CO)CCN1C/C=C/Cl 307579894 1169529439 /nfs/dbraw/zinc/52/94/39/1169529439.db2.gz QLRCPZCCUCNOPU-DTBGECHCSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@H](NC(=O)CN)[C@H]1CCC[C@@H](C)C1 307747021 1169541494 /nfs/dbraw/zinc/54/14/94/1169541494.db2.gz XFQFNJKTODMWJW-UTLUCORTSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H](NC(=O)CN)[C@@H]1CCC[C@@H](C)C1 307747019 1169541680 /nfs/dbraw/zinc/54/16/80/1169541680.db2.gz XFQFNJKTODMWJW-KXUCPTDWSA-N 0 3 198.310 1.276 20 0 ADADHN CCCC[C@H](C)N(C)C(=O)[C@H](C)N 308187683 1169545501 /nfs/dbraw/zinc/54/55/01/1169545501.db2.gz GWSGTFBHESSTHG-IUCAKERBSA-N 0 3 186.299 1.371 20 0 ADADHN CCCC[C@@H](C)N(C)C(=O)[C@H](C)N 308187681 1169545832 /nfs/dbraw/zinc/54/58/32/1169545832.db2.gz GWSGTFBHESSTHG-BDAKNGLRSA-N 0 3 186.299 1.371 20 0 ADADHN c1c(CNCC2CC2)nnn1C1CC1 308578096 1169551826 /nfs/dbraw/zinc/55/18/26/1169551826.db2.gz IMKOEGDBZDEFJU-UHFFFAOYSA-N 0 3 192.266 1.113 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@H]1CC[C@@H]1C 308559152 1169551872 /nfs/dbraw/zinc/55/18/72/1169551872.db2.gz WFUDHJYCQSUDSW-GUBZILKMSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H]1CCCN1Cc1ccn(C)n1 334190793 1169559618 /nfs/dbraw/zinc/55/96/18/1169559618.db2.gz NOKDACZZCMOBAV-NSHDSACASA-N 0 3 193.294 1.795 20 0 ADADHN CC[C@@H]1CCCN1Cc1ccn(C)n1 334190789 1169559684 /nfs/dbraw/zinc/55/96/84/1169559684.db2.gz NOKDACZZCMOBAV-LLVKDONJSA-N 0 3 193.294 1.795 20 0 ADADHN Cn1cncc1CNC/C=C/C1CC1 378768615 1169561348 /nfs/dbraw/zinc/56/13/48/1169561348.db2.gz ZFRJAYHPAKFCIW-NSCUHMNNSA-N 0 3 191.278 1.476 20 0 ADADHN Cc1cc(CNCC=CC2CC2)[nH]n1 378672435 1169561637 /nfs/dbraw/zinc/56/16/37/1169561637.db2.gz LHVRJYTZWQTTCE-NSCUHMNNSA-N 0 3 191.278 1.774 20 0 ADADHN Cc1cc(CNCC=CC2CC2)n[nH]1 378672435 1169561641 /nfs/dbraw/zinc/56/16/41/1169561641.db2.gz LHVRJYTZWQTTCE-NSCUHMNNSA-N 0 3 191.278 1.774 20 0 ADADHN Cc1cc(CNCC=CC2CC2)[nH]n1 378672434 1169561729 /nfs/dbraw/zinc/56/17/29/1169561729.db2.gz LHVRJYTZWQTTCE-IHWYPQMZSA-N 0 3 191.278 1.774 20 0 ADADHN Cc1cc(CNCC=CC2CC2)n[nH]1 378672434 1169561734 /nfs/dbraw/zinc/56/17/34/1169561734.db2.gz LHVRJYTZWQTTCE-IHWYPQMZSA-N 0 3 191.278 1.774 20 0 ADADHN Cn1cncc1CNC/C=C\C1CC1 378768610 1169561843 /nfs/dbraw/zinc/56/18/43/1169561843.db2.gz ZFRJAYHPAKFCIW-IHWYPQMZSA-N 0 3 191.278 1.476 20 0 ADADHN Cn1cc(CNC/C=C\C2CC2)cn1 378851133 1169563739 /nfs/dbraw/zinc/56/37/39/1169563739.db2.gz FPARMWIDFJURBM-IHWYPQMZSA-N 0 3 191.278 1.476 20 0 ADADHN Cn1cc(CNC/C=C/C2CC2)cn1 378851134 1169563792 /nfs/dbraw/zinc/56/37/92/1169563792.db2.gz FPARMWIDFJURBM-NSCUHMNNSA-N 0 3 191.278 1.476 20 0 ADADHN C(=CC1CC1)CNCc1c[nH]cn1 379301555 1169564149 /nfs/dbraw/zinc/56/41/49/1169564149.db2.gz PORZTSQZISYWSS-OWOJBTEDSA-N 0 3 177.251 1.466 20 0 ADADHN C(=CC1CC1)CNCc1cnc[nH]1 379301555 1169564158 /nfs/dbraw/zinc/56/41/58/1169564158.db2.gz PORZTSQZISYWSS-OWOJBTEDSA-N 0 3 177.251 1.466 20 0 ADADHN C(=CC1CC1)CNCc1c[nH]cn1 379301556 1169565153 /nfs/dbraw/zinc/56/51/53/1169565153.db2.gz PORZTSQZISYWSS-UPHRSURJSA-N 0 3 177.251 1.466 20 0 ADADHN C(=CC1CC1)CNCc1cnc[nH]1 379301556 1169565163 /nfs/dbraw/zinc/56/51/63/1169565163.db2.gz PORZTSQZISYWSS-UPHRSURJSA-N 0 3 177.251 1.466 20 0 ADADHN C[C@@H]1[C@H](CO)CCN1C/C=C\Cl 379319416 1169568645 /nfs/dbraw/zinc/56/86/45/1169568645.db2.gz QLRCPZCCUCNOPU-SJLHTBIVSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@@H]1[C@@H](CO)CCN1C/C=C\Cl 379319415 1169570124 /nfs/dbraw/zinc/57/01/24/1169570124.db2.gz QLRCPZCCUCNOPU-HWTYGCMBSA-N 0 3 189.686 1.442 20 0 ADADHN CCN(Cc1cc(C)[nH]n1)C1CC1 379352798 1169573368 /nfs/dbraw/zinc/57/33/68/1169573368.db2.gz CSEHCNMMTFWABT-UHFFFAOYSA-N 0 3 179.267 1.702 20 0 ADADHN Cc1cc(CNCCOC(C)C)[nH]n1 379569184 1169586087 /nfs/dbraw/zinc/58/60/87/1169586087.db2.gz AOBVJASTQBYWSP-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN CC[C@@H](CNCc1cc(C)n[nH]1)OC 379545465 1169586002 /nfs/dbraw/zinc/58/60/02/1169586002.db2.gz WCJLQTWBAYLBGO-JTQLQIEISA-N 0 3 197.282 1.233 20 0 ADADHN Cc1cc(CNCCOC(C)C)n[nH]1 379569184 1169586094 /nfs/dbraw/zinc/58/60/94/1169586094.db2.gz AOBVJASTQBYWSP-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN CC[C@H](CNCc1cc(C)n[nH]1)OC 379545466 1169587133 /nfs/dbraw/zinc/58/71/33/1169587133.db2.gz WCJLQTWBAYLBGO-SNVBAGLBSA-N 0 3 197.282 1.233 20 0 ADADHN COC(C)(C)CNCc1cc(C)n[nH]1 379585976 1169590530 /nfs/dbraw/zinc/59/05/30/1169590530.db2.gz QGJDVOQVVOBYTH-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN CC/C=C\CNC(=O)[C@@H](N)CCCC 384781848 1169608201 /nfs/dbraw/zinc/60/82/01/1169608201.db2.gz UETFSDJQLXKYCG-BXKUYDPTSA-N 0 3 198.310 1.586 20 0 ADADHN CC/C=C/CNC(=O)[C@@H](N)CCCC 384781853 1169608698 /nfs/dbraw/zinc/60/86/98/1169608698.db2.gz UETFSDJQLXKYCG-STUBTGCMSA-N 0 3 198.310 1.586 20 0 ADADHN CC/C=C/CNC(=O)[C@H](N)CCCC 384781847 1169608733 /nfs/dbraw/zinc/60/87/33/1169608733.db2.gz UETFSDJQLXKYCG-BREXMAIKSA-N 0 3 198.310 1.586 20 0 ADADHN CC/C=C\CNC(=O)[C@H](N)CCCC 384781851 1169608951 /nfs/dbraw/zinc/60/89/51/1169608951.db2.gz UETFSDJQLXKYCG-ONRRBMGISA-N 0 3 198.310 1.586 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1CC(C)C 385131876 1169611877 /nfs/dbraw/zinc/61/18/77/1169611877.db2.gz AILZAHLHICAEBD-OPRDCNLKSA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]1CC(C)C 385131869 1169611933 /nfs/dbraw/zinc/61/19/33/1169611933.db2.gz AILZAHLHICAEBD-KXUCPTDWSA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)=CCNCc1cc(C)n[nH]1 388676042 1169631754 /nfs/dbraw/zinc/63/17/54/1169631754.db2.gz YZYMSOBIIVFYCD-UHFFFAOYSA-N 0 3 179.267 1.774 20 0 ADADHN Cc1cc(CN(C)CC(C)C)[nH]n1 388751107 1169634163 /nfs/dbraw/zinc/63/41/63/1169634163.db2.gz BUDUSOKEDDTFCX-UHFFFAOYSA-N 0 3 181.283 1.806 20 0 ADADHN COCC(C)(C)NCc1cc(C)n[nH]1 389240028 1169635866 /nfs/dbraw/zinc/63/58/66/1169635866.db2.gz XXIOWJWWLNWVFU-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN Cc1nnc([C@H](C)NCCC(C)C)[nH]1 392382087 1169641970 /nfs/dbraw/zinc/64/19/70/1169641970.db2.gz MRBXYDYTFIQGNC-QMMMGPOBSA-N 0 3 196.298 1.810 20 0 ADADHN Cc1nnc([C@@H](C)NCCC(C)C)[nH]1 392382084 1169642463 /nfs/dbraw/zinc/64/24/63/1169642463.db2.gz MRBXYDYTFIQGNC-MRVPVSSYSA-N 0 3 196.298 1.810 20 0 ADADHN COc1nccc(CNC2(C)CC2)n1 395142555 1169652971 /nfs/dbraw/zinc/65/29/71/1169652971.db2.gz ZKSWMGDRLSPURZ-UHFFFAOYSA-N 0 3 193.250 1.127 20 0 ADADHN CC(C)C[C@@H]1C[C@H]1NC(=O)C1(N)CC1 395376454 1169654060 /nfs/dbraw/zinc/65/40/60/1169654060.db2.gz AQOWEIYQJAIKEZ-RKDXNWHRSA-N 0 3 196.294 1.029 20 0 ADADHN CCC[C@@H]1CCCN1C(=O)[C@@H](N)CC 396779828 1169659861 /nfs/dbraw/zinc/65/98/61/1169659861.db2.gz UKYFDPVQMHHIAM-ZJUUUORDSA-N 0 3 198.310 1.515 20 0 ADADHN COc1cc(CNC2(C)CC2)sn1 399329984 1169672706 /nfs/dbraw/zinc/67/27/06/1169672706.db2.gz UQIKLHRTJXVYNV-UHFFFAOYSA-N 0 3 198.291 1.794 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)NC1CCC1 400941109 1169675805 /nfs/dbraw/zinc/67/58/05/1169675805.db2.gz NIKARLBFVRPGJX-WPRPVWTQSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)NC1CCC1 400941107 1169676003 /nfs/dbraw/zinc/67/60/03/1169676003.db2.gz NIKARLBFVRPGJX-SCZZXKLOSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)C[C@H](N)C(=O)NC1(C)CC1 400960183 1169676461 /nfs/dbraw/zinc/67/64/61/1169676461.db2.gz RQHKHAIGCSKGPK-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1C[C@H]1C 400947322 1169676356 /nfs/dbraw/zinc/67/63/56/1169676356.db2.gz OSHFDKNFDFLOCU-QCLAVDOMSA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)NC1(C)CC1 400960184 1169676578 /nfs/dbraw/zinc/67/65/78/1169676578.db2.gz RQHKHAIGCSKGPK-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)C[C@H](N)C(=O)NC1(C)CC1 400960190 1169677271 /nfs/dbraw/zinc/67/72/71/1169677271.db2.gz RQHKHAIGCSKGPK-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)C[C@@H](N)C(=O)NC1CCC1 400941108 1169677286 /nfs/dbraw/zinc/67/72/86/1169677286.db2.gz NIKARLBFVRPGJX-WCBMZHEXSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)NC1(C)CC1 400960192 1169677308 /nfs/dbraw/zinc/67/73/08/1169677308.db2.gz RQHKHAIGCSKGPK-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN CCn1cc(CNCCC2CC2)nn1 404503694 1169682978 /nfs/dbraw/zinc/68/29/78/1169682978.db2.gz JRDBFGIYRRGCLI-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN CCC(=O)Nc1cccc2c1CNC2 606263155 1169691782 /nfs/dbraw/zinc/69/17/82/1169691782.db2.gz GFHHQOFTOFGMDO-UHFFFAOYSA-N 0 3 190.246 1.638 20 0 ADADHN CC[C@@H](N)C(=O)NC[C@@]1(C)CC1(C)C 702427964 1169704859 /nfs/dbraw/zinc/70/48/59/1169704859.db2.gz WAPLBNGUOBZSSM-LDYMZIIASA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@H](N)C(=O)NC[C@]1(C)CC1(C)C 702427962 1169705228 /nfs/dbraw/zinc/70/52/28/1169705228.db2.gz WAPLBNGUOBZSSM-KWQFWETISA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@H](N)C(=O)NC[C@@]1(C)CC1(C)C 702427958 1169705700 /nfs/dbraw/zinc/70/57/00/1169705700.db2.gz WAPLBNGUOBZSSM-GZMMTYOYSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@@H](N)C(=O)NC[C@]1(C)CC1(C)C 702427960 1169706354 /nfs/dbraw/zinc/70/63/54/1169706354.db2.gz WAPLBNGUOBZSSM-KCJUWKMLSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 712460467 1169731159 /nfs/dbraw/zinc/73/11/59/1169731159.db2.gz DUJXPTUTBFJVJS-XFWSIPNHSA-N 0 3 196.294 1.029 20 0 ADADHN c1nc(CN2CC3CCC2CC3)c[nH]1 724775920 1169772351 /nfs/dbraw/zinc/77/23/51/1169772351.db2.gz NKDOVTLSYRJUAH-UHFFFAOYSA-N 0 3 191.278 1.784 20 0 ADADHN Cc1cc(CN2CC[C@H]2C(C)C)n[nH]1 1254172288 1169860052 /nfs/dbraw/zinc/86/00/52/1169860052.db2.gz KAUMBJFIBUQVRW-NSHDSACASA-N 0 3 193.294 1.948 20 0 ADADHN Cc1cc(CN2CC[C@@H]2C(C)C)n[nH]1 1254172285 1169860315 /nfs/dbraw/zinc/86/03/15/1169860315.db2.gz KAUMBJFIBUQVRW-LLVKDONJSA-N 0 3 193.294 1.948 20 0 ADADHN CCCN(C)Cc1ccnc(N)c1 52719806 566257548 /nfs/dbraw/zinc/25/75/48/566257548.db2.gz RBWBNISRORZVDP-UHFFFAOYSA-N 0 3 179.267 1.506 20 0 ADADHN CCCCN(C)Cc1ccnc(N)c1 52717637 566258168 /nfs/dbraw/zinc/25/81/68/566258168.db2.gz SMPAACIXKHPLMQ-UHFFFAOYSA-N 0 3 193.294 1.896 20 0 ADADHN CCCCN(C)Cc1cccnc1N 52717627 566258299 /nfs/dbraw/zinc/25/82/99/566258299.db2.gz WOFHMPSNHKNBLM-UHFFFAOYSA-N 0 3 193.294 1.896 20 0 ADADHN CCn1ncnc1CNC1CCCC1 54498793 566259101 /nfs/dbraw/zinc/25/91/01/566259101.db2.gz ZPLOBGZRRJCZTG-UHFFFAOYSA-N 0 3 194.282 1.330 20 0 ADADHN CC(=O)[C@@]1(C)CCCCN1 123197350 566263639 /nfs/dbraw/zinc/26/36/39/566263639.db2.gz RRUSQJZMDUKWFH-MRVPVSSYSA-N 0 3 141.214 1.108 20 0 ADADHN CCC(=O)[C@]1(C)CCCCN1 123199244 566263995 /nfs/dbraw/zinc/26/39/95/566263995.db2.gz PZIHLSCSFXFNJR-VIFPVBQESA-N 0 3 155.241 1.498 20 0 ADADHN CC(=O)[C@]1(C)CCCCN1 123197079 566264309 /nfs/dbraw/zinc/26/43/09/566264309.db2.gz RRUSQJZMDUKWFH-QMMMGPOBSA-N 0 3 141.214 1.108 20 0 ADADHN CCC(=O)[C@@]1(C)CCCCN1 123199466 566264544 /nfs/dbraw/zinc/26/45/44/566264544.db2.gz PZIHLSCSFXFNJR-SECBINFHSA-N 0 3 155.241 1.498 20 0 ADADHN CCOCCN1CCC(OC)CC1 143747880 566266911 /nfs/dbraw/zinc/26/69/11/566266911.db2.gz QCZAFZCURZEGJR-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN CC(C)NCC(=O)N1C[C@H](C)C[C@@H]1C 157801108 566268591 /nfs/dbraw/zinc/26/85/91/566268591.db2.gz MWPIRHBAUHVQGD-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1C 157790576 566269097 /nfs/dbraw/zinc/26/90/97/566269097.db2.gz OFIPZRMRVVKMOT-AEJSXWLSSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1C 157790294 566269807 /nfs/dbraw/zinc/26/98/07/566269807.db2.gz OFIPZRMRVVKMOT-GUBZILKMSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)NCC(=O)N1C[C@@H](C)C[C@@H]1C 157801251 566269851 /nfs/dbraw/zinc/26/98/51/566269851.db2.gz MWPIRHBAUHVQGD-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)NCC(=O)N1C[C@@H](C)C[C@H]1C 157801553 566269873 /nfs/dbraw/zinc/26/98/73/566269873.db2.gz MWPIRHBAUHVQGD-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)[C@H](N)C(=O)N1C[C@H](C)C[C@H]1C 157790441 566269905 /nfs/dbraw/zinc/26/99/05/566269905.db2.gz OFIPZRMRVVKMOT-BBBLOLIVSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1C 157790149 566270013 /nfs/dbraw/zinc/27/00/13/566270013.db2.gz OFIPZRMRVVKMOT-UTLUCORTSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)NCC(=O)N1C[C@H](C)C[C@H]1C 157801399 566270183 /nfs/dbraw/zinc/27/01/83/566270183.db2.gz MWPIRHBAUHVQGD-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN Cc1ccc(CN(C)[C@H](C)CO)cc1 158384208 566271321 /nfs/dbraw/zinc/27/13/21/566271321.db2.gz PAKCOUZGHQVFRI-LLVKDONJSA-N 0 3 193.290 1.808 20 0 ADADHN CN(C)CCNC(=O)CC(C)(C)C 197543385 566276422 /nfs/dbraw/zinc/27/64/22/566276422.db2.gz UYMFLTRENSZNMU-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN Cc1c[nH]nc1CNC1CC=CC1 306289697 566293131 /nfs/dbraw/zinc/29/31/31/566293131.db2.gz OQEQNNFXNKPBCA-UHFFFAOYSA-N 0 3 177.251 1.526 20 0 ADADHN Cc1nc(C)c(CN2CCCC2)o1 306289684 566293222 /nfs/dbraw/zinc/29/32/22/566293222.db2.gz OOOMZMHEJUERPQ-UHFFFAOYSA-N 0 3 180.251 1.887 20 0 ADADHN CCc1nccc([C@H](C)NC)n1 307194148 566296870 /nfs/dbraw/zinc/29/68/70/566296870.db2.gz OSKLNXRKNHPAJR-ZETCQYMHSA-N 0 3 165.240 1.319 20 0 ADADHN CCc1nccc([C@@H](C)NC)n1 307194147 566297229 /nfs/dbraw/zinc/29/72/29/566297229.db2.gz OSKLNXRKNHPAJR-SSDOTTSWSA-N 0 3 165.240 1.319 20 0 ADADHN CN(Cc1cn[nH]c1)[C@@H]1CCSC1 307711373 566299069 /nfs/dbraw/zinc/29/90/69/566299069.db2.gz SZNSPBZDBGYKEU-SECBINFHSA-N 0 3 197.307 1.347 20 0 ADADHN CN(Cc1cn[nH]c1)[C@H]1CCSC1 307711374 566299253 /nfs/dbraw/zinc/29/92/53/566299253.db2.gz SZNSPBZDBGYKEU-VIFPVBQESA-N 0 3 197.307 1.347 20 0 ADADHN CC(C)CN[C@@H](C)c1ncnn1C 379392210 566304831 /nfs/dbraw/zinc/30/48/31/566304831.db2.gz RIWKGRFNAMBJKA-QMMMGPOBSA-N 0 3 182.271 1.122 20 0 ADADHN CC(C)CN[C@H](C)c1ncnn1C 379392209 566305499 /nfs/dbraw/zinc/30/54/99/566305499.db2.gz RIWKGRFNAMBJKA-MRVPVSSYSA-N 0 3 182.271 1.122 20 0 ADADHN CC[C@@H]1C[C@@H](C)CN1Cc1nc[nH]n1 1261637874 1170116977 /nfs/dbraw/zinc/11/69/77/1170116977.db2.gz IQJVWOMUSHVMCR-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1C[C@H](C)CN1Cc1nc[nH]n1 1261637873 1170116447 /nfs/dbraw/zinc/11/64/47/1170116447.db2.gz IQJVWOMUSHVMCR-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nnc[n-]1 1261637873 1170116449 /nfs/dbraw/zinc/11/64/49/1170116449.db2.gz IQJVWOMUSHVMCR-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnc[n-]1 1261637873 1170116452 /nfs/dbraw/zinc/11/64/52/1170116452.db2.gz IQJVWOMUSHVMCR-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nnc[n-]1 1261637874 1170116981 /nfs/dbraw/zinc/11/69/81/1170116981.db2.gz IQJVWOMUSHVMCR-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nnc[n-]1 1261637874 1170116985 /nfs/dbraw/zinc/11/69/85/1170116985.db2.gz IQJVWOMUSHVMCR-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1C[C@H](C)CN1Cc1nc[nH]n1 1261637872 1170117439 /nfs/dbraw/zinc/11/74/39/1170117439.db2.gz IQJVWOMUSHVMCR-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnc[n-]1 1261637872 1170117448 /nfs/dbraw/zinc/11/74/48/1170117448.db2.gz IQJVWOMUSHVMCR-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc[n-]1 1261637872 1170117454 /nfs/dbraw/zinc/11/74/54/1170117454.db2.gz IQJVWOMUSHVMCR-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN C[C@H]1CCC(C)(C)N1Cc1nc[nH]n1 1261639797 1170117566 /nfs/dbraw/zinc/11/75/66/1170117566.db2.gz NUXUHQXPGFCQSH-QMMMGPOBSA-N 0 3 194.282 1.568 20 0 ADADHN C[C@H]1CCC(C)(C)[N@@H+]1Cc1nnc[n-]1 1261639797 1170117567 /nfs/dbraw/zinc/11/75/67/1170117567.db2.gz NUXUHQXPGFCQSH-QMMMGPOBSA-N 0 3 194.282 1.568 20 0 ADADHN C[C@H]1CCC(C)(C)[N@H+]1Cc1nnc[n-]1 1261639797 1170117568 /nfs/dbraw/zinc/11/75/68/1170117568.db2.gz NUXUHQXPGFCQSH-QMMMGPOBSA-N 0 3 194.282 1.568 20 0 ADADHN C[C@@H]1CCC(C)(C)N1Cc1nc[nH]n1 1261639796 1170118019 /nfs/dbraw/zinc/11/80/19/1170118019.db2.gz NUXUHQXPGFCQSH-MRVPVSSYSA-N 0 3 194.282 1.568 20 0 ADADHN C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nnc[n-]1 1261639796 1170118023 /nfs/dbraw/zinc/11/80/23/1170118023.db2.gz NUXUHQXPGFCQSH-MRVPVSSYSA-N 0 3 194.282 1.568 20 0 ADADHN C[C@@H]1CCC(C)(C)[N@H+]1Cc1nnc[n-]1 1261639796 1170118026 /nfs/dbraw/zinc/11/80/26/1170118026.db2.gz NUXUHQXPGFCQSH-MRVPVSSYSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@H]1C[C@@H](C)CN1Cc1nc[nH]n1 1261637871 1170118083 /nfs/dbraw/zinc/11/80/83/1170118083.db2.gz IQJVWOMUSHVMCR-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nnc[n-]1 1261637871 1170118086 /nfs/dbraw/zinc/11/80/86/1170118086.db2.gz IQJVWOMUSHVMCR-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc[n-]1 1261637871 1170118088 /nfs/dbraw/zinc/11/80/88/1170118088.db2.gz IQJVWOMUSHVMCR-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN CC(C)N(Cc1nnc[nH]1)C1CCC1 1261637669 1170118421 /nfs/dbraw/zinc/11/84/21/1170118421.db2.gz BJURLBVDEKXNNN-UHFFFAOYSA-N 0 3 194.282 1.568 20 0 ADADHN CCC[C@@H](C)CCNC(=O)[C@H](C)N 1262040503 1170122327 /nfs/dbraw/zinc/12/23/27/1170122327.db2.gz SHALJVCLXQHPMC-BDAKNGLRSA-N 0 3 186.299 1.276 20 0 ADADHN CCC[C@H](C)CCNC(=O)[C@H](C)N 1262040504 1170123612 /nfs/dbraw/zinc/12/36/12/1170123612.db2.gz SHALJVCLXQHPMC-IUCAKERBSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@@H](NCc1ocnc1C)[C@H](C)O 1262111327 1170125089 /nfs/dbraw/zinc/12/50/89/1170125089.db2.gz CNXOEQDKJODBGK-DTWKUNHWSA-N 0 3 198.266 1.232 20 0 ADADHN CC[C@H](NCc1ocnc1C)[C@H](C)O 1262111328 1170125585 /nfs/dbraw/zinc/12/55/85/1170125585.db2.gz CNXOEQDKJODBGK-IUCAKERBSA-N 0 3 198.266 1.232 20 0 ADADHN CC[C@H](NCc1ocnc1C)[C@@H](C)O 1262111326 1170125630 /nfs/dbraw/zinc/12/56/30/1170125630.db2.gz CNXOEQDKJODBGK-BDAKNGLRSA-N 0 3 198.266 1.232 20 0 ADADHN CC[C@@H](NCc1ocnc1C)[C@@H](C)O 1262111329 1170125692 /nfs/dbraw/zinc/12/56/92/1170125692.db2.gz CNXOEQDKJODBGK-RKDXNWHRSA-N 0 3 198.266 1.232 20 0 ADADHN C[C@@H](NC1(C)CC1)c1cnnn1C 1262202345 1170127862 /nfs/dbraw/zinc/12/78/62/1170127862.db2.gz SFVBWSKYIJYDLO-SSDOTTSWSA-N 0 3 180.255 1.018 20 0 ADADHN C[C@H](NC1(C)CC1)c1cnnn1C 1262202346 1170128991 /nfs/dbraw/zinc/12/89/91/1170128991.db2.gz SFVBWSKYIJYDLO-ZETCQYMHSA-N 0 3 180.255 1.018 20 0 ADADHN FC(F)CCCNCc1ncc[nH]1 1262193635 1170129289 /nfs/dbraw/zinc/12/92/89/1170129289.db2.gz SNQRKWBSIKAPLT-UHFFFAOYSA-N 0 3 189.209 1.545 20 0 ADADHN FC(F)CCCNCc1cc[nH]n1 1262367254 1170131145 /nfs/dbraw/zinc/13/11/45/1170131145.db2.gz NTUSDQHXTFEUMD-UHFFFAOYSA-N 0 3 189.209 1.545 20 0 ADADHN Cc1ccc([C@@H](O)CNCCF)cc1 1262562309 1170132109 /nfs/dbraw/zinc/13/21/09/1170132109.db2.gz XKPTZLIYVDSPEZ-NSHDSACASA-N 0 3 197.253 1.588 20 0 ADADHN Cc1ccc([C@H](O)CNCCF)cc1 1262562308 1170132792 /nfs/dbraw/zinc/13/27/92/1170132792.db2.gz XKPTZLIYVDSPEZ-LLVKDONJSA-N 0 3 197.253 1.588 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC12CCC2 1263197928 1170140221 /nfs/dbraw/zinc/14/02/21/1170140221.db2.gz KYVBFGSVDDXITD-VIFPVBQESA-N 0 3 196.294 1.269 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCC12CCC2 1263197927 1170141468 /nfs/dbraw/zinc/14/14/68/1170141468.db2.gz KYVBFGSVDDXITD-SECBINFHSA-N 0 3 196.294 1.269 20 0 ADADHN CCN1CC([C@H](C)NC(=O)C(C)C)C1 1276341978 1170161691 /nfs/dbraw/zinc/16/16/91/1170161691.db2.gz JADWTSAATHHAFX-VIFPVBQESA-N 0 3 198.310 1.099 20 0 ADADHN CCN1CC([C@@H](C)NC(=O)C(C)C)C1 1276341977 1170161756 /nfs/dbraw/zinc/16/17/56/1170161756.db2.gz JADWTSAATHHAFX-SECBINFHSA-N 0 3 198.310 1.099 20 0 ADADHN CCCCN1CC[C@@H]1CNC(=O)CC 1276772835 1170162881 /nfs/dbraw/zinc/16/28/81/1170162881.db2.gz QTPCWEDGQIEPQW-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCN1CC[C@H]1CNC(=O)CC 1276772834 1170164015 /nfs/dbraw/zinc/16/40/15/1170164015.db2.gz QTPCWEDGQIEPQW-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN C[C@H]1[C@@H](O)CCN1C/C=C/Cl 1307775977 1170182662 /nfs/dbraw/zinc/18/26/62/1170182662.db2.gz PHBADOFJNDKIQL-POSAZWSLSA-N 0 3 175.659 1.194 20 0 ADADHN C[C@H]1[C@@H](O)CCN1C/C=C\Cl 1307775976 1170184624 /nfs/dbraw/zinc/18/46/24/1170184624.db2.gz PHBADOFJNDKIQL-ABXVWLFBSA-N 0 3 175.659 1.194 20 0 ADADHN OCCC[C@@H]1CCN(CCF)C1 1307841290 1170185750 /nfs/dbraw/zinc/18/57/50/1170185750.db2.gz YSKBLOXRJTVQPE-SECBINFHSA-N 0 3 175.247 1.050 20 0 ADADHN OCCC[C@H]1CCN(CCF)C1 1307841304 1170187695 /nfs/dbraw/zinc/18/76/95/1170187695.db2.gz YSKBLOXRJTVQPE-VIFPVBQESA-N 0 3 175.247 1.050 20 0 ADADHN CCN1CC(CNC(=O)C(C)(C)C)C1 1318170766 1170194397 /nfs/dbraw/zinc/19/43/97/1170194397.db2.gz DSFAZFNEZUYOAP-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@@H]1CCN(CN2C(=O)CC2(C)C)C1 1319017159 1170198734 /nfs/dbraw/zinc/19/87/34/1170198734.db2.gz PWTIWYMODSDFEZ-SECBINFHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1CCN(CN2C(=O)CC2(C)C)C1 1319017452 1170199486 /nfs/dbraw/zinc/19/94/86/1170199486.db2.gz PWTIWYMODSDFEZ-VIFPVBQESA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1CCCN1CN1C(=O)CC1(C)C 1319450858 1170200219 /nfs/dbraw/zinc/20/02/19/1170200219.db2.gz VVAQTHNOOBDUSA-VIFPVBQESA-N 0 3 196.294 1.439 20 0 ADADHN COC[C@H](C)N(C)CCC(F)(F)F 1319324564 1170200346 /nfs/dbraw/zinc/20/03/46/1170200346.db2.gz LDLRBPXPNMERGY-ZETCQYMHSA-N 0 3 199.216 1.906 20 0 ADADHN C[C@@H]1CCCN1CN1C(=O)CC1(C)C 1319450857 1170201230 /nfs/dbraw/zinc/20/12/30/1170201230.db2.gz VVAQTHNOOBDUSA-SECBINFHSA-N 0 3 196.294 1.439 20 0 ADADHN COC[C@@H](C)N(C)CCC(F)(F)F 1319324557 1170202821 /nfs/dbraw/zinc/20/28/21/1170202821.db2.gz LDLRBPXPNMERGY-SSDOTTSWSA-N 0 3 199.216 1.906 20 0 ADADHN C[C@H](NC1(C)CC1)c1cnccn1 1320093621 1170204411 /nfs/dbraw/zinc/20/44/11/1170204411.db2.gz BWJLJHOXWVHZTC-QMMMGPOBSA-N 0 3 177.251 1.680 20 0 ADADHN C[C@@H](NC1(C)CC1)c1cnccn1 1320093620 1170205041 /nfs/dbraw/zinc/20/50/41/1170205041.db2.gz BWJLJHOXWVHZTC-MRVPVSSYSA-N 0 3 177.251 1.680 20 0 ADADHN C1COC(CN2CC3CCC2CC3)O1 1319876615 1170205190 /nfs/dbraw/zinc/20/51/90/1170205190.db2.gz DQRSWCKOLFDDIY-UHFFFAOYSA-N 0 3 197.278 1.234 20 0 ADADHN COC(=O)CN(CC(C)C)CC1CC1 1322604096 1170219531 /nfs/dbraw/zinc/21/95/31/1170219531.db2.gz FMALDWJPZBFQSZ-UHFFFAOYSA-N 0 3 199.294 1.527 20 0 ADADHN Cc1cccnc1CN[C@H]1C[C@@H](O)C1 1324438772 1170223484 /nfs/dbraw/zinc/22/34/84/1170223484.db2.gz PRDIDMKXLBSPKH-AOOOYVTPSA-N 0 3 192.262 1.003 20 0 ADADHN CCN(Cc1cn[nH]n1)CC(C)C 1325179734 1170228553 /nfs/dbraw/zinc/22/85/53/1170228553.db2.gz JYWWBAPSVHQUFA-UHFFFAOYSA-N 0 3 182.271 1.283 20 0 ADADHN C[C@H](NCc1cccc(F)n1)[C@@H](C)O 1325844665 1170234157 /nfs/dbraw/zinc/23/41/57/1170234157.db2.gz ZYTHABQVWHHZGA-JGVFFNPUSA-N 0 3 198.241 1.080 20 0 ADADHN C[C@@H](O)[C@@H](C)NCc1cccc(F)n1 1325844664 1170235609 /nfs/dbraw/zinc/23/56/09/1170235609.db2.gz ZYTHABQVWHHZGA-HTQZYQBOSA-N 0 3 198.241 1.080 20 0 ADADHN C[C@H](O)[C@H](C)NCc1cccc(F)n1 1325844667 1170235891 /nfs/dbraw/zinc/23/58/91/1170235891.db2.gz ZYTHABQVWHHZGA-YUMQZZPRSA-N 0 3 198.241 1.080 20 0 ADADHN C[C@H](O)[C@@H](C)NCc1cccc(F)n1 1325844666 1170236031 /nfs/dbraw/zinc/23/60/31/1170236031.db2.gz ZYTHABQVWHHZGA-SFYZADRCSA-N 0 3 198.241 1.080 20 0 ADADHN CCN(Cc1nnc[nH]1)[C@@H](C)C(C)C 1327544739 1170249500 /nfs/dbraw/zinc/24/95/00/1170249500.db2.gz AJJGSFYDQVSTAE-VIFPVBQESA-N 0 3 196.298 1.671 20 0 ADADHN c1nnc(CN2CC[C@@H](C3CC3)C2)[nH]1 1327518525 1170250218 /nfs/dbraw/zinc/25/02/18/1170250218.db2.gz JOKXPIFLEOKNQL-SECBINFHSA-N 0 3 192.266 1.037 20 0 ADADHN CCN(Cc1nnc[nH]1)[C@H](C)C(C)C 1327544738 1170250629 /nfs/dbraw/zinc/25/06/29/1170250629.db2.gz AJJGSFYDQVSTAE-SECBINFHSA-N 0 3 196.298 1.671 20 0 ADADHN c1nnc(CN2CC[C@H](C3CC3)C2)[nH]1 1327518534 1170250987 /nfs/dbraw/zinc/25/09/87/1170250987.db2.gz JOKXPIFLEOKNQL-VIFPVBQESA-N 0 3 192.266 1.037 20 0 ADADHN CC[C@H]1CCN(Cc2nnc[nH]2)C1 1327547242 1170251390 /nfs/dbraw/zinc/25/13/90/1170251390.db2.gz SCTGEGFGSRDYMW-QMMMGPOBSA-N 0 3 180.255 1.037 20 0 ADADHN CC(C)CC1(NCc2nc[nH]n2)CC1 1327588461 1170252226 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ULKOIJVZNNQINI-QMMMGPOBSA-N 0 3 182.271 1.425 20 0 ADADHN CC[C@@H]1CC[C@H](C)N1Cc1nc[nH]n1 1327553162 1170253509 /nfs/dbraw/zinc/25/35/09/1170253509.db2.gz FBWRPSIMEIBZIS-DTWKUNHWSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnc[n-]1 1327553162 1170253514 /nfs/dbraw/zinc/25/35/14/1170253514.db2.gz FBWRPSIMEIBZIS-DTWKUNHWSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc[n-]1 1327553162 1170253518 /nfs/dbraw/zinc/25/35/18/1170253518.db2.gz FBWRPSIMEIBZIS-DTWKUNHWSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc[nH]n1 1327553166 1170253640 /nfs/dbraw/zinc/25/36/40/1170253640.db2.gz FBWRPSIMEIBZIS-RKDXNWHRSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nnc[n-]1 1327553166 1170253644 /nfs/dbraw/zinc/25/36/44/1170253644.db2.gz FBWRPSIMEIBZIS-RKDXNWHRSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc[n-]1 1327553166 1170253650 /nfs/dbraw/zinc/25/36/50/1170253650.db2.gz FBWRPSIMEIBZIS-RKDXNWHRSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@H]1CC[C@@H](C)N1Cc1nc[nH]n1 1327553161 1170253964 /nfs/dbraw/zinc/25/39/64/1170253964.db2.gz FBWRPSIMEIBZIS-BDAKNGLRSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnc[n-]1 1327553161 1170253970 /nfs/dbraw/zinc/25/39/70/1170253970.db2.gz FBWRPSIMEIBZIS-BDAKNGLRSA-N 0 3 194.282 1.568 20 0 ADADHN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc[n-]1 1327553161 1170253976 /nfs/dbraw/zinc/25/39/76/1170253976.db2.gz FBWRPSIMEIBZIS-BDAKNGLRSA-N 0 3 194.282 1.568 20 0 ADADHN CC(C)CN(Cc1nnc[nH]1)C(C)C 1327866439 1170255147 /nfs/dbraw/zinc/25/51/47/1170255147.db2.gz XTUQQTTYUWEIIM-UHFFFAOYSA-N 0 3 196.298 1.671 20 0 ADADHN c1nc(CN2CCC[C@@H]2C2CC2)n[nH]1 1328399298 1170262099 /nfs/dbraw/zinc/26/20/99/1170262099.db2.gz ZVWISUMENVMYJR-SECBINFHSA-N 0 3 192.266 1.179 20 0 ADADHN c1nc(CN2CCC[C@H]2C2CC2)n[nH]1 1328399299 1170262266 /nfs/dbraw/zinc/26/22/66/1170262266.db2.gz ZVWISUMENVMYJR-VIFPVBQESA-N 0 3 192.266 1.179 20 0 ADADHN CCN(Cc1cn(C)cn1)CC(C)C 1328381045 1170262955 /nfs/dbraw/zinc/26/29/55/1170262955.db2.gz LMPXMFVNSCNTJA-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CCCN(Cc1nnc[nH]1)C(C)C 1330567959 1170278629 /nfs/dbraw/zinc/27/86/29/1170278629.db2.gz YPBGTFTWCDLUSX-UHFFFAOYSA-N 0 3 182.271 1.425 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1nnc[nH]1 1330547835 1170279189 /nfs/dbraw/zinc/27/91/89/1170279189.db2.gz SIVQVTLXGDDBRN-HTQZYQBOSA-N 0 3 180.255 1.178 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2nnc[nH]2)C1 1330546159 1170279398 /nfs/dbraw/zinc/27/93/98/1170279398.db2.gz CDXXYFYGABIRSQ-JGVFFNPUSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2nnc[nH]2)C1 1330546162 1170280160 /nfs/dbraw/zinc/28/01/60/1170280160.db2.gz CDXXYFYGABIRSQ-YUMQZZPRSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1nnc[nH]1 1330547837 1170280916 /nfs/dbraw/zinc/28/09/16/1170280916.db2.gz SIVQVTLXGDDBRN-YUMQZZPRSA-N 0 3 180.255 1.178 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1nnc[nH]1 1330546160 1170281133 /nfs/dbraw/zinc/28/11/33/1170281133.db2.gz CDXXYFYGABIRSQ-SFYZADRCSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2nnc[nH]2)C1 1330546152 1170281410 /nfs/dbraw/zinc/28/14/10/1170281410.db2.gz CDXXYFYGABIRSQ-HTQZYQBOSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1nnc[nH]1 1330547836 1170281446 /nfs/dbraw/zinc/28/14/46/1170281446.db2.gz SIVQVTLXGDDBRN-OCAPTIKFSA-N 0 3 180.255 1.178 20 0 ADADHN CC[C@H](N)C(=O)N1[C@H](C)CCC1(C)C 1330890903 1170285156 /nfs/dbraw/zinc/28/51/56/1170285156.db2.gz BTWLPECOGDESSI-BDAKNGLRSA-N 0 3 198.310 1.513 20 0 ADADHN CCC[C@@H](C)CCNC(=O)[C@@H](C)N 1331365122 1170289580 /nfs/dbraw/zinc/28/95/80/1170289580.db2.gz SHALJVCLXQHPMC-RKDXNWHRSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](C)CCC1(C)C 1330890907 1170286693 /nfs/dbraw/zinc/28/66/93/1170286693.db2.gz BTWLPECOGDESSI-IUCAKERBSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@@H](C)CCC1(C)C 1331333771 1170289025 /nfs/dbraw/zinc/28/90/25/1170289025.db2.gz BTWLPECOGDESSI-DTWKUNHWSA-N 0 3 198.310 1.513 20 0 ADADHN CCC[C@H](C)CCNC(=O)[C@@H](C)N 1331365121 1170289411 /nfs/dbraw/zinc/28/94/11/1170289411.db2.gz SHALJVCLXQHPMC-DTWKUNHWSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@H](C)CCC1(C)C 1331333773 1170291359 /nfs/dbraw/zinc/29/13/59/1170291359.db2.gz BTWLPECOGDESSI-RKDXNWHRSA-N 0 3 198.310 1.513 20 0 ADADHN CC(C)c1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 1331847814 1170295404 /nfs/dbraw/zinc/29/54/04/1170295404.db2.gz RSUAQQSSSKXRSY-BIIVOSGPSA-N 0 3 193.250 1.473 20 0 ADADHN C1CC1c1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 1331846056 1170296130 /nfs/dbraw/zinc/29/61/30/1170296130.db2.gz BUTTZRWENRBWSV-BIIVOSGPSA-N 0 3 191.234 1.227 20 0 ADADHN C[C@@H](NC1(C)CC1)c1cn(C)cn1 1332878737 1170312847 /nfs/dbraw/zinc/31/28/47/1170312847.db2.gz MVRWBMRWQYXKHA-MRVPVSSYSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@H](NC1(C)CC1)c1cn(C)cn1 1332878743 1170315145 /nfs/dbraw/zinc/31/51/45/1170315145.db2.gz MVRWBMRWQYXKHA-QMMMGPOBSA-N 0 3 179.267 1.623 20 0 ADADHN c1nnc(CN2CCCC23CCC3)[nH]1 1333239428 1170320669 /nfs/dbraw/zinc/32/06/69/1170320669.db2.gz ADTCDCIMBMDPNV-UHFFFAOYSA-N 0 3 192.266 1.323 20 0 ADADHN C[C@@H](N)C(=O)N1[C@H](C)CCC1(C)C 1333642991 1170327832 /nfs/dbraw/zinc/32/78/32/1170327832.db2.gz MBBHWCZXXKGPDT-HTQZYQBOSA-N 0 3 184.283 1.123 20 0 ADADHN C[C@H]1CCC(C)(C)N1C(=O)[C@@H](C)N 1333642994 1170329433 /nfs/dbraw/zinc/32/94/33/1170329433.db2.gz MBBHWCZXXKGPDT-JGVFFNPUSA-N 0 3 184.283 1.123 20 0 ADADHN Cc1cc(CN2CC[C@@H](CF)C2)n[nH]1 1333719443 1170330835 /nfs/dbraw/zinc/33/08/35/1170330835.db2.gz NMZQBWCHKHTJGX-VIFPVBQESA-N 0 3 197.257 1.510 20 0 ADADHN Cc1cc(CN2CC[C@H](CF)C2)n[nH]1 1333719442 1170332917 /nfs/dbraw/zinc/33/29/17/1170332917.db2.gz NMZQBWCHKHTJGX-SECBINFHSA-N 0 3 197.257 1.510 20 0 ADADHN CCN[C@H](C)c1cc(OC)no1 1335207579 1170349668 /nfs/dbraw/zinc/34/96/68/1170349668.db2.gz RQZQCGHIUDENEB-ZCFIWIBFSA-N 0 3 170.212 1.354 20 0 ADADHN CCN[C@@H](C)c1cc(OC)no1 1335207575 1170350462 /nfs/dbraw/zinc/35/04/62/1170350462.db2.gz RQZQCGHIUDENEB-LURJTMIESA-N 0 3 170.212 1.354 20 0 ADADHN Cc1cccnc1[C@H](C)NC[C@@H](C)O 1335334035 1170355818 /nfs/dbraw/zinc/35/58/18/1170355818.db2.gz PVPPDTLUKNHIMA-ZJUUUORDSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1cccc([C@H](O)CNCCF)c1 1335350960 1170355838 /nfs/dbraw/zinc/35/58/38/1170355838.db2.gz JLRUTELNMIJEGK-LLVKDONJSA-N 0 3 197.253 1.588 20 0 ADADHN Cc1cccc([C@@H](O)CNCCF)c1 1335350961 1170356287 /nfs/dbraw/zinc/35/62/87/1170356287.db2.gz JLRUTELNMIJEGK-NSHDSACASA-N 0 3 197.253 1.588 20 0 ADADHN Cc1cccnc1[C@@H](C)NC[C@@H](C)O 1335334033 1170356884 /nfs/dbraw/zinc/35/68/84/1170356884.db2.gz PVPPDTLUKNHIMA-NXEZZACHSA-N 0 3 194.278 1.421 20 0 ADADHN C=CC(=O)N(CCC)[C@H]1CCN(C)C1 1336702705 1170379620 /nfs/dbraw/zinc/37/96/20/1170379620.db2.gz SQMVIZRWASZJPI-JTQLQIEISA-N 0 3 196.294 1.115 20 0 ADADHN C=CC(=O)N(CCC)[C@@H]1CCN(C)C1 1336702707 1170381071 /nfs/dbraw/zinc/38/10/71/1170381071.db2.gz SQMVIZRWASZJPI-SNVBAGLBSA-N 0 3 196.294 1.115 20 0 ADADHN CN(C)C(=O)[C@H](N)C1CCCCCC1 1340129888 1170424768 /nfs/dbraw/zinc/42/47/68/1170424768.db2.gz ZJSYMLKUVSIZHJ-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CN(C)C(=O)[C@@H](N)C1CCCCCC1 1340129887 1170426505 /nfs/dbraw/zinc/42/65/05/1170426505.db2.gz ZJSYMLKUVSIZHJ-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN Cc1nccnc1[C@@H](C)NC1(C)CC1 1343272853 1170454859 /nfs/dbraw/zinc/45/48/59/1170454859.db2.gz MEMLLPFBKQULKJ-SECBINFHSA-N 0 3 191.278 1.988 20 0 ADADHN Cc1nccnc1[C@H](C)NC1(C)CC1 1343272854 1170455345 /nfs/dbraw/zinc/45/53/45/1170455345.db2.gz MEMLLPFBKQULKJ-VIFPVBQESA-N 0 3 191.278 1.988 20 0 ADADHN CCN(Cc1n[nH]c(C)n1)C(C)(C)C 1344334096 1170462901 /nfs/dbraw/zinc/46/29/01/1170462901.db2.gz FKWVLPVQGDWJND-UHFFFAOYSA-N 0 3 196.298 1.734 20 0 ADADHN Cc1cc(CNCC2=CCCC2)[nH]n1 1346855243 1170483911 /nfs/dbraw/zinc/48/39/11/1170483911.db2.gz LDIQONGFBDXOCO-UHFFFAOYSA-N 0 3 191.278 1.918 20 0 ADADHN C[C@@H]1CN(Cc2nc[nH]n2)[C@H](C)[C@H]1C 1347120706 1170487896 /nfs/dbraw/zinc/48/78/96/1170487896.db2.gz QTJGJCZWLNVOOQ-HRDYMLBCSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@H+](Cc2nnc[n-]2)[C@H](C)[C@H]1C 1347120706 1170487900 /nfs/dbraw/zinc/48/79/00/1170487900.db2.gz QTJGJCZWLNVOOQ-HRDYMLBCSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@@H+](Cc2nnc[n-]2)[C@H](C)[C@H]1C 1347120706 1170487901 /nfs/dbraw/zinc/48/79/01/1170487901.db2.gz QTJGJCZWLNVOOQ-HRDYMLBCSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1CN(Cc2nc[nH]n2)[C@H](C)[C@@H]1C 1347120707 1170488554 /nfs/dbraw/zinc/48/85/54/1170488554.db2.gz QTJGJCZWLNVOOQ-IWSPIJDZSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@H+](Cc2nnc[n-]2)[C@H](C)[C@@H]1C 1347120707 1170488558 /nfs/dbraw/zinc/48/85/58/1170488558.db2.gz QTJGJCZWLNVOOQ-IWSPIJDZSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@@H+](Cc2nnc[n-]2)[C@H](C)[C@@H]1C 1347120707 1170488559 /nfs/dbraw/zinc/48/85/59/1170488559.db2.gz QTJGJCZWLNVOOQ-IWSPIJDZSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1CN(Cc2nc[nH]n2)[C@@H](C)[C@@H]1C 1347120705 1170488743 /nfs/dbraw/zinc/48/87/43/1170488743.db2.gz QTJGJCZWLNVOOQ-HLTSFMKQSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@H+](Cc2nnc[n-]2)[C@@H](C)[C@@H]1C 1347120705 1170488745 /nfs/dbraw/zinc/48/87/45/1170488745.db2.gz QTJGJCZWLNVOOQ-HLTSFMKQSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@@H+](Cc2nnc[n-]2)[C@@H](C)[C@@H]1C 1347120705 1170488750 /nfs/dbraw/zinc/48/87/50/1170488750.db2.gz QTJGJCZWLNVOOQ-HLTSFMKQSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1CN(Cc2nc[nH]n2)[C@@H](C)[C@H]1C 1347120708 1170489108 /nfs/dbraw/zinc/48/91/08/1170489108.db2.gz QTJGJCZWLNVOOQ-VGMNWLOBSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@H+](Cc2nnc[n-]2)[C@@H](C)[C@H]1C 1347120708 1170489113 /nfs/dbraw/zinc/48/91/13/1170489113.db2.gz QTJGJCZWLNVOOQ-VGMNWLOBSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1C[N@@H+](Cc2nnc[n-]2)[C@@H](C)[C@H]1C 1347120708 1170489115 /nfs/dbraw/zinc/48/91/15/1170489115.db2.gz QTJGJCZWLNVOOQ-VGMNWLOBSA-N 0 3 194.282 1.281 20 0 ADADHN Cc1cccnc1CN[C@H]1C[C@H](O)C1 1347490035 1170493172 /nfs/dbraw/zinc/49/31/72/1170493172.db2.gz PRDIDMKXLBSPKH-MGCOHNPYSA-N 0 3 192.262 1.003 20 0 ADADHN CCc1ncc(CNC2(C)CC2)cn1 1348493466 1170502873 /nfs/dbraw/zinc/50/28/73/1170502873.db2.gz QCEUJWGWBFMKDN-UHFFFAOYSA-N 0 3 191.278 1.681 20 0 ADADHN CCN(Cc1nnc[nH]1)CC1CCC1 1350370738 1170518552 /nfs/dbraw/zinc/51/85/52/1170518552.db2.gz FTRHCEJBDJAVMH-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN COc1ccc(CNC2(C)CC2)nc1 1351998374 1170530415 /nfs/dbraw/zinc/53/04/15/1170530415.db2.gz RNMFNYSNOROLRT-UHFFFAOYSA-N 0 3 192.262 1.732 20 0 ADADHN CC(C)CC[C@@H](O)CNCCF 1353275122 1170537430 /nfs/dbraw/zinc/53/74/30/1170537430.db2.gz XMXSBAQJSSGIHT-SECBINFHSA-N 0 3 177.263 1.343 20 0 ADADHN CC(C)CC[C@H](O)CNCCF 1353275164 1170537694 /nfs/dbraw/zinc/53/76/94/1170537694.db2.gz XMXSBAQJSSGIHT-VIFPVBQESA-N 0 3 177.263 1.343 20 0 ADADHN CC[C@@H]1CCN([C@@H]2CCOC2=O)[C@@H]1C 1459991207 1170575646 /nfs/dbraw/zinc/57/56/46/1170575646.db2.gz SMOPUCPUAQQMJZ-OPRDCNLKSA-N 0 3 197.278 1.422 20 0 ADADHN CC[C@@H]1CCN([C@H]2CCOC2=O)[C@H]1C 1459991189 1170575865 /nfs/dbraw/zinc/57/58/65/1170575865.db2.gz SMOPUCPUAQQMJZ-AEJSXWLSSA-N 0 3 197.278 1.422 20 0 ADADHN CC[C@@H]1CCN([C@H]2CCOC2=O)[C@@H]1C 1459991197 1170576280 /nfs/dbraw/zinc/57/62/80/1170576280.db2.gz SMOPUCPUAQQMJZ-BBBLOLIVSA-N 0 3 197.278 1.422 20 0 ADADHN CC[C@@H]1CCN([C@@H]2CCOC2=O)[C@H]1C 1459991202 1170577725 /nfs/dbraw/zinc/57/77/25/1170577725.db2.gz SMOPUCPUAQQMJZ-IVZWLZJFSA-N 0 3 197.278 1.422 20 0 ADADHN Cc1ncsc1CN[C@H]1C[C@@H](O)C1 1474183213 1170597970 /nfs/dbraw/zinc/59/79/70/1170597970.db2.gz MHZGNZVIKRIUGZ-OCAPTIKFSA-N 0 3 198.291 1.064 20 0 ADADHN Cc1ccc(CNC2(C)CC2)nn1 1474004969 1170598865 /nfs/dbraw/zinc/59/88/65/1170598865.db2.gz IJOQJNTUGQSEDH-UHFFFAOYSA-N 0 3 177.251 1.427 20 0 ADADHN Cc1cn[nH]c1CN1CC2(CCC2)C1 1474568754 1170600641 /nfs/dbraw/zinc/60/06/41/1170600641.db2.gz LKFVJCWXQHZLBK-UHFFFAOYSA-N 0 3 191.278 1.704 20 0 ADADHN C[C@H]1CCCC[C@@H]1CN1CC(C)(O)C1 1474568865 1170600842 /nfs/dbraw/zinc/60/08/42/1170600842.db2.gz PCZOQQYWCWWWCU-WDEREUQCSA-N 0 3 197.322 1.879 20 0 ADADHN C[C@@H]1CCCC[C@H]1CN1CC(C)(O)C1 1474568863 1170601519 /nfs/dbraw/zinc/60/15/19/1170601519.db2.gz PCZOQQYWCWWWCU-MNOVXSKESA-N 0 3 197.322 1.879 20 0 ADADHN C[C@H]1CCCC[C@H]1CN1CC(C)(O)C1 1474568864 1170602001 /nfs/dbraw/zinc/60/20/01/1170602001.db2.gz PCZOQQYWCWWWCU-QWRGUYRKSA-N 0 3 197.322 1.879 20 0 ADADHN C[C@@H]1CCCC[C@@H]1CN1CC(C)(O)C1 1474568859 1170602366 /nfs/dbraw/zinc/60/23/66/1170602366.db2.gz PCZOQQYWCWWWCU-GHMZBOCLSA-N 0 3 197.322 1.879 20 0 ADADHN CC(C)C(=O)NC[C@H]1CCN1C(C)C 1498927331 1170608948 /nfs/dbraw/zinc/60/89/48/1170608948.db2.gz DKAUODMMZUOVHH-SNVBAGLBSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C)C(=O)NCC1CN(CC)C1 1481613875 1170604193 /nfs/dbraw/zinc/60/41/93/1170604193.db2.gz YSBSZWJLNBGPTK-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN CC[C@H](C)C(=O)NCC1CN(CC)C1 1481613876 1170604760 /nfs/dbraw/zinc/60/47/60/1170604760.db2.gz YSBSZWJLNBGPTK-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN CC(C)C(=O)NC[C@@H]1CCN1C(C)C 1498927330 1170609111 /nfs/dbraw/zinc/60/91/11/1170609111.db2.gz DKAUODMMZUOVHH-JTQLQIEISA-N 0 3 198.310 1.241 20 0 ADADHN CCCC(=O)N[C@H](C)C1CN(CC)C1 1506592681 1170609211 /nfs/dbraw/zinc/60/92/11/1170609211.db2.gz UGRONVWTKOWYQO-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCC(=O)N[C@@H](C)C1CN(CC)C1 1506592692 1170610044 /nfs/dbraw/zinc/61/00/44/1170610044.db2.gz UGRONVWTKOWYQO-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN NCC(=O)N1CCCC12CCCCC2 1523456864 1170631799 /nfs/dbraw/zinc/63/17/99/1170631799.db2.gz OAUOXKZJLHRCRD-UHFFFAOYSA-N 0 3 196.294 1.270 20 0 ADADHN CC[C@@H]1CCN([C@@H](C)C(=O)OC)[C@@H]1C 1559769976 1170656791 /nfs/dbraw/zinc/65/67/91/1170656791.db2.gz WKZKIIYHUGXYHP-KXUCPTDWSA-N 0 3 199.294 1.668 20 0 ADADHN CC[C@@H]1CCN([C@H](C)C(=O)OC)[C@@H]1C 1559769978 1170657163 /nfs/dbraw/zinc/65/71/63/1170657163.db2.gz WKZKIIYHUGXYHP-OPRDCNLKSA-N 0 3 199.294 1.668 20 0 ADADHN CC[C@@H]1CCN([C@H](C)C(=O)OC)[C@H]1C 1559769975 1170657644 /nfs/dbraw/zinc/65/76/44/1170657644.db2.gz WKZKIIYHUGXYHP-IVZWLZJFSA-N 0 3 199.294 1.668 20 0 ADADHN CC[C@@H]1CCN([C@@H](C)C(=O)OC)[C@H]1C 1559769977 1170657692 /nfs/dbraw/zinc/65/76/92/1170657692.db2.gz WKZKIIYHUGXYHP-LPEHRKFASA-N 0 3 199.294 1.668 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccccn1 1560889743 1170664597 /nfs/dbraw/zinc/66/45/97/1170664597.db2.gz WOHPUVOXPHNISX-BBBLOLIVSA-N 0 3 192.262 1.256 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccccn1 1560889744 1170665878 /nfs/dbraw/zinc/66/58/78/1170665878.db2.gz WOHPUVOXPHNISX-LPEHRKFASA-N 0 3 192.262 1.256 20 0 ADADHN CC(C)c1coc(NC(=O)[C@H](C)N)n1 1573533238 1170675132 /nfs/dbraw/zinc/67/51/32/1170675132.db2.gz LYYKVHJCMRGTHF-LURJTMIESA-N 0 3 197.238 1.084 20 0 ADADHN CC(C)[C@H]1CN(C(=O)CN)[C@H]1C(C)C 1574067861 1170678460 /nfs/dbraw/zinc/67/84/60/1170678460.db2.gz JLLCBCUENPTNME-KOLCDFICSA-N 0 3 198.310 1.084 20 0 ADADHN C[C@H]1CCC[C@H]([C@H](C)NC(=O)CN)C1 1574074571 1170678709 /nfs/dbraw/zinc/67/87/09/1170678709.db2.gz XFQFNJKTODMWJW-GUBZILKMSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)[C@H]1CN(C(=O)CN)[C@@H]1C(C)C 1574067862 1170679253 /nfs/dbraw/zinc/67/92/53/1170679253.db2.gz JLLCBCUENPTNME-MWLCHTKSSA-N 0 3 198.310 1.084 20 0 ADADHN CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)CN 1574067863 1170680061 /nfs/dbraw/zinc/68/00/61/1170680061.db2.gz JLLCBCUENPTNME-ONGXEEELSA-N 0 3 198.310 1.084 20 0 ADADHN C[C@H]1CCC[C@@H]([C@H](C)NC(=O)CN)C1 1574074572 1170680220 /nfs/dbraw/zinc/68/02/20/1170680220.db2.gz XFQFNJKTODMWJW-LPEHRKFASA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)[C@@H]1CN(C(=O)CN)[C@@H]1C(C)C 1574067860 1170680263 /nfs/dbraw/zinc/68/02/63/1170680263.db2.gz JLLCBCUENPTNME-GXSJLCMTSA-N 0 3 198.310 1.084 20 0 ADADHN CC(C)c1cc(NC(=O)[C@H](C)N)no1 1575849999 1170690606 /nfs/dbraw/zinc/69/06/06/1170690606.db2.gz BLWXSFQPKNRYLQ-LURJTMIESA-N 0 3 197.238 1.084 20 0 ADADHN CC(C)c1coc(NC(=O)[C@@H](C)N)n1 1575863642 1170691273 /nfs/dbraw/zinc/69/12/73/1170691273.db2.gz LYYKVHJCMRGTHF-ZCFIWIBFSA-N 0 3 197.238 1.084 20 0 ADADHN CCC1(NC(=O)OC2CNC2)CCC1 1577233635 1170713087 /nfs/dbraw/zinc/71/30/87/1170713087.db2.gz NOJPEOVJLLEHQN-UHFFFAOYSA-N 0 3 198.266 1.017 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@@H](CC)[C@@H]1C 1577263893 1170715035 /nfs/dbraw/zinc/71/50/35/1170715035.db2.gz UWDNCVKTIWUTQZ-AEJSXWLSSA-N 0 3 198.310 1.371 20 0 ADADHN CCCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1CC 1577412297 1170715280 /nfs/dbraw/zinc/71/52/80/1170715280.db2.gz NSCAQMRPUFEFEP-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@@H](CC)[C@H]1C 1577263894 1170715385 /nfs/dbraw/zinc/71/53/85/1170715385.db2.gz UWDNCVKTIWUTQZ-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@H](CC)[C@@H]1C 1577263895 1170715402 /nfs/dbraw/zinc/71/54/02/1170715402.db2.gz UWDNCVKTIWUTQZ-GUBZILKMSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@@H](CC)[C@H]1C 1577263899 1170715799 /nfs/dbraw/zinc/71/57/99/1170715799.db2.gz UWDNCVKTIWUTQZ-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@H](CC)[C@H]1C 1577263900 1170715825 /nfs/dbraw/zinc/71/58/25/1170715825.db2.gz UWDNCVKTIWUTQZ-UTLUCORTSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H]1CCN(C(=O)[C@H](N)CC)[C@@H]1C 1577263897 1170716290 /nfs/dbraw/zinc/71/62/90/1170716290.db2.gz UWDNCVKTIWUTQZ-KXUCPTDWSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H]1CCN(C(=O)[C@H](N)CC)[C@H]1C 1577263898 1170717169 /nfs/dbraw/zinc/71/71/69/1170717169.db2.gz UWDNCVKTIWUTQZ-LPEHRKFASA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@@H](CC)[C@@H]1C 1577263896 1170717199 /nfs/dbraw/zinc/71/71/99/1170717199.db2.gz UWDNCVKTIWUTQZ-IVZWLZJFSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C(C)C 1578223148 1170719307 /nfs/dbraw/zinc/71/93/07/1170719307.db2.gz SUHRTWXSCADTMU-LPEHRKFASA-N 0 3 198.310 1.132 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 1578223336 1170721196 /nfs/dbraw/zinc/72/11/96/1170721196.db2.gz ZQJVAAXWHKBCLB-RGOKHQFPSA-N 0 3 196.294 1.029 20 0 ADADHN CC[C@H](N)C(=O)NC[C@@H]1C[C@H]1C(C)C 1578231361 1170722770 /nfs/dbraw/zinc/72/27/70/1170722770.db2.gz SUHRTWXSCADTMU-GUBZILKMSA-N 0 3 198.310 1.132 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 1578231460 1170724016 /nfs/dbraw/zinc/72/40/16/1170724016.db2.gz ZQJVAAXWHKBCLB-KATARQTJSA-N 0 3 196.294 1.029 20 0 ADADHN C[C@H]1[C@@H](O)CCN1Cc1ccncc1 1617955544 1170811113 /nfs/dbraw/zinc/81/11/13/1170811113.db2.gz RPMNNPKBZFCENJ-ONGXEEELSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@H]1[C@@H](O)CCN1Cc1ccccn1 1643107825 1170866392 /nfs/dbraw/zinc/86/63/92/1170866392.db2.gz VHDJYRMCSWSGOF-ONGXEEELSA-N 0 3 192.262 1.037 20 0 ADADHN C1CC[C@@H]2[C@H](C1)CN2CC1OCCO1 1643704705 1170870789 /nfs/dbraw/zinc/87/07/89/1170870789.db2.gz SUZAAQJAQUEONY-NXEZZACHSA-N 0 3 197.278 1.234 20 0 ADADHN c1n[nH]cc1CN1C[C@H]2CCCC[C@H]21 1643704720 1170873099 /nfs/dbraw/zinc/87/30/99/1170873099.db2.gz UJSDXYCHCVJRSU-GHMZBOCLSA-N 0 3 191.278 1.784 20 0 ADADHN O=C1OCC[C@H]1N1C[C@H]2CCCC[C@H]21 1646923875 1170878037 /nfs/dbraw/zinc/87/80/37/1170878037.db2.gz UMIMMVXHDQHPOX-OPRDCNLKSA-N 0 3 195.262 1.176 20 0 ADADHN O=C1OCC[C@@H]1N1C[C@H]2CCCC[C@H]21 1646923872 1170879363 /nfs/dbraw/zinc/87/93/63/1170879363.db2.gz UMIMMVXHDQHPOX-BBBLOLIVSA-N 0 3 195.262 1.176 20 0 ADADHN C[C@H](N(C)Cc1c[nH]cn1)C(C)(C)O 1645739791 1170879642 /nfs/dbraw/zinc/87/96/42/1170879642.db2.gz YBUAYSVISFNLRZ-QMMMGPOBSA-N 0 3 197.282 1.001 20 0 ADADHN C[C@@H](N(C)Cc1c[nH]cn1)C(C)(C)O 1645739790 1170880606 /nfs/dbraw/zinc/88/06/06/1170880606.db2.gz YBUAYSVISFNLRZ-MRVPVSSYSA-N 0 3 197.282 1.001 20 0 ADADHN CC[C@@H](C(N)=O)N1C[C@H]2CCCC[C@H]21 1646919697 1170881326 /nfs/dbraw/zinc/88/13/26/1170881326.db2.gz BOYBLVBYXXINSN-KXUCPTDWSA-N 0 3 196.294 1.125 20 0 ADADHN c1c[nH]c(CN[C@H]2C[C@@H]3CCC[C@@H]32)n1 1652913675 1170901826 /nfs/dbraw/zinc/90/18/26/1170901826.db2.gz CXVGYYOONVVEHX-GUBZILKMSA-N 0 3 191.278 1.688 20 0 ADADHN C[C@H]1C[C@@H](O)CN(C/C=C\Cl)C1 1653909717 1170912944 /nfs/dbraw/zinc/91/29/44/1170912944.db2.gz HGEVVRYEEUWSAL-NFLJOPSSSA-N 0 3 189.686 1.442 20 0 ADADHN FCCCN1CCn2nccc2C1 1654337667 1170914957 /nfs/dbraw/zinc/91/49/57/1170914957.db2.gz CESKEZSBYAPEPU-UHFFFAOYSA-N 0 3 183.230 1.058 20 0 ADADHN CC[C@H](C)[C@H](C)N1CC(=O)N[C@H](C)C1 1654522108 1170916360 /nfs/dbraw/zinc/91/63/60/1170916360.db2.gz OKTKYUMLJCYYPJ-AEJSXWLSSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C)[C@@H](C)N1CC(=O)N[C@@H](C)C1 1654522117 1170916928 /nfs/dbraw/zinc/91/69/28/1170916928.db2.gz OKTKYUMLJCYYPJ-LPEHRKFASA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C)[C@@H](C)N1CC(=O)N[C@H](C)C1 1654522115 1170918110 /nfs/dbraw/zinc/91/81/10/1170918110.db2.gz OKTKYUMLJCYYPJ-IVZWLZJFSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C)[C@H](C)N1CC(=O)N[C@@H](C)C1 1654522113 1170918933 /nfs/dbraw/zinc/91/89/33/1170918933.db2.gz OKTKYUMLJCYYPJ-GUBZILKMSA-N 0 3 198.310 1.241 20 0 ADADHN COCC[C@H](C)CNCc1ncc[nH]1 1657540544 1170928091 /nfs/dbraw/zinc/92/80/91/1170928091.db2.gz SAMYZTLQFMHPGQ-VIFPVBQESA-N 0 3 197.282 1.172 20 0 ADADHN COCC[C@@H](C)CNCc1ncc[nH]1 1657540543 1170928433 /nfs/dbraw/zinc/92/84/33/1170928433.db2.gz SAMYZTLQFMHPGQ-SECBINFHSA-N 0 3 197.282 1.172 20 0 ADADHN CC[C@@H]1CCN(Cc2nc[nH]n2)[C@@H]1C 1658340725 1170932085 /nfs/dbraw/zinc/93/20/85/1170932085.db2.gz BQVABZUONGHKPY-RKDXNWHRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1CCN(Cc2nc[nH]n2)[C@@H]1C 1658340722 1170932364 /nfs/dbraw/zinc/93/23/64/1170932364.db2.gz BQVABZUONGHKPY-BDAKNGLRSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@H]1CCN(Cc2nc[nH]n2)[C@H]1C 1658340724 1170932497 /nfs/dbraw/zinc/93/24/97/1170932497.db2.gz BQVABZUONGHKPY-IUCAKERBSA-N 0 3 194.282 1.425 20 0 ADADHN CC[C@@H]1CCN(Cc2nc[nH]n2)[C@H]1C 1658340723 1170933489 /nfs/dbraw/zinc/93/34/89/1170933489.db2.gz BQVABZUONGHKPY-DTWKUNHWSA-N 0 3 194.282 1.425 20 0 ADADHN CC1(C)C[C@@H]1NCc1cccnc1N 1659438223 1170938951 /nfs/dbraw/zinc/93/89/51/1170938951.db2.gz NAAUJEBWUFHGKD-VIFPVBQESA-N 0 3 191.278 1.552 20 0 ADADHN C1CC[C@@H]2[C@H](C1)CN2CC1=NOCC1 1659299485 1170939217 /nfs/dbraw/zinc/93/92/17/1170939217.db2.gz UTTCKRBFVJGUQB-MWLCHTKSSA-N 0 3 194.278 1.637 20 0 ADADHN Cc1occc1CN1CC[C@H](O)[C@@H]1C 1659223657 1170941538 /nfs/dbraw/zinc/94/15/38/1170941538.db2.gz HMACNVCPXKOBFT-KWQFWETISA-N 0 3 195.262 1.543 20 0 ADADHN CCN1CC(CNC(=O)CC(C)C)C1 1665249418 1170954977 /nfs/dbraw/zinc/95/49/77/1170954977.db2.gz YARUQPVJZBBWHH-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN CCCC(=O)NC[C@@H]1CCN1C(C)C 1670601503 1170957011 /nfs/dbraw/zinc/95/70/11/1170957011.db2.gz QUIONRRLVGFFMM-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CCCC(=O)NC[C@@H]1CCN1CCC 1670600551 1170957055 /nfs/dbraw/zinc/95/70/55/1170957055.db2.gz FSSJWTDZKQNKSV-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCCC(=O)NC[C@H]1CCN1C(C)C 1670601504 1170957100 /nfs/dbraw/zinc/95/71/00/1170957100.db2.gz QUIONRRLVGFFMM-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CCCC(=O)NC[C@H]1CCN1CCC 1670600552 1170957156 /nfs/dbraw/zinc/95/71/56/1170957156.db2.gz FSSJWTDZKQNKSV-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCC(=O)NCC1CN(CC)C1 1732120749 1170972267 /nfs/dbraw/zinc/97/22/67/1170972267.db2.gz WIBKLPJCRHRYRN-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN(CC=C(C)C)CCNC(C)=O 1753076743 1170975342 /nfs/dbraw/zinc/97/53/42/1170975342.db2.gz SLOUMYCUPGBEGH-UHFFFAOYSA-N 0 3 198.310 1.411 20 0 ADADHN O=c1cc(Cl)c2c([nH]1)CCNC2 1771591536 1170977891 /nfs/dbraw/zinc/97/78/91/1170977891.db2.gz GBWJABCKRQVFDK-UHFFFAOYSA-N 0 3 184.626 1.086 20 0 ADADHN CC(C)n1cncc1C1(N)CC1 213876538 571681524 /nfs/dbraw/zinc/68/15/24/571681524.db2.gz AMUNVQFXIFILSQ-UHFFFAOYSA-N 0 3 165.240 1.412 20 0 ADADHN CN(Cc1nnc[nH]1)C1CCCCC1 687716292 571691806 /nfs/dbraw/zinc/69/18/06/571691806.db2.gz CCLLGPDVSZNKME-UHFFFAOYSA-N 0 3 194.282 1.569 20 0 ADADHN CCC[C@@H](C)NCc1c[nH]cn1 54762953 571692458 /nfs/dbraw/zinc/69/24/58/571692458.db2.gz PSQYSRVWVIEKIN-MRVPVSSYSA-N 0 3 167.256 1.688 20 0 ADADHN FCCN1C[C@@H]2CCCC[C@@H]21 24660904 571734651 /nfs/dbraw/zinc/73/46/51/571734651.db2.gz MSCLTHYUEDSBFA-IUCAKERBSA-N 0 3 157.232 1.830 20 0 ADADHN Cc1cccnc1CNCCCCO 70908533 571739275 /nfs/dbraw/zinc/73/92/75/571739275.db2.gz PRKARRMUAQWQNU-UHFFFAOYSA-N 0 3 194.278 1.252 20 0 ADADHN Cc1cccnc1CNCC(C)(C)O 70908652 571738846 /nfs/dbraw/zinc/73/88/46/571738846.db2.gz HOYWSLRFPLROCG-UHFFFAOYSA-N 0 3 194.278 1.251 20 0 ADADHN COCCCNCc1ncccc1C 70908750 571739430 /nfs/dbraw/zinc/73/94/30/571739430.db2.gz SLEUOMDEJOTSKO-UHFFFAOYSA-N 0 3 194.278 1.516 20 0 ADADHN CCOCCNCc1ncccc1C 70917590 571741448 /nfs/dbraw/zinc/74/14/48/571741448.db2.gz WQNXRMSOFPXIOX-UHFFFAOYSA-N 0 3 194.278 1.516 20 0 ADADHN Cl/C=C\CN1CCc2cn[nH]c2C1 379355200 571742285 /nfs/dbraw/zinc/74/22/85/571742285.db2.gz KSTBCOJMMWNKGA-IWQZZHSRSA-N 0 3 197.669 1.520 20 0 ADADHN CCn1cc(CNC(C)C)c(C)n1 70708654 571743337 /nfs/dbraw/zinc/74/33/37/571743337.db2.gz ZJDKEXORDXTPHP-UHFFFAOYSA-N 0 3 181.283 1.709 20 0 ADADHN CC[C@@H](CO)NC/C=C/Cl 233877024 571765802 /nfs/dbraw/zinc/76/58/02/571765802.db2.gz CLCNMOCGIUACTQ-SDLBARTOSA-N 0 3 163.648 1.099 20 0 ADADHN Cc1cc(-c2ccc(CN)cn2)ccn1 117502913 571766451 /nfs/dbraw/zinc/76/64/51/571766451.db2.gz NBYYHTMJKHFZCI-UHFFFAOYSA-N 0 3 199.257 1.911 20 0 ADADHN CC[C@@H](COC)NC/C=C/Cl 233880468 571777604 /nfs/dbraw/zinc/77/76/04/571777604.db2.gz ONTBYXOUNDZZFH-ZJELKQJVSA-N 0 3 177.675 1.754 20 0 ADADHN O[C@@H]1CCC[C@H]1NCc1ccncc1 37489925 571782600 /nfs/dbraw/zinc/78/26/00/571782600.db2.gz HKQBKXWBFDVUDH-GHMZBOCLSA-N 0 3 192.262 1.085 20 0 ADADHN O[C@@H]1CCC[C@H]1NCc1cccnc1 37489929 571782626 /nfs/dbraw/zinc/78/26/26/571782626.db2.gz NNQWLCQDQMBKDL-GHMZBOCLSA-N 0 3 192.262 1.085 20 0 ADADHN O[C@@H]1CCC[C@H]1NCc1ccccn1 37489921 571782905 /nfs/dbraw/zinc/78/29/05/571782905.db2.gz DKVVRQIPOTVYBU-GHMZBOCLSA-N 0 3 192.262 1.085 20 0 ADADHN CCCNCc1cnc(C)s1 37505230 571782942 /nfs/dbraw/zinc/78/29/42/571782942.db2.gz IJYWHPOZTYSIFC-UHFFFAOYSA-N 0 3 170.281 1.951 20 0 ADADHN CC[C@@H](O)CNC/C=C/Cl 233899773 571787911 /nfs/dbraw/zinc/78/79/11/571787911.db2.gz BXNUABGWHREGTE-KGGZQZJCSA-N 0 3 163.648 1.099 20 0 ADADHN CC(C)c1nn(C)c2c1CCNC2 107227080 571803740 /nfs/dbraw/zinc/80/37/40/571803740.db2.gz MBPZCCBQYJLXLS-UHFFFAOYSA-N 0 3 179.267 1.189 20 0 ADADHN COC(C)(C)CCNCc1c[nH]cn1 234597452 571811403 /nfs/dbraw/zinc/81/14/03/571811403.db2.gz FXMAIBQRATVXLX-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN COC(C)(C)CCNCc1cnc[nH]1 234597452 571811409 /nfs/dbraw/zinc/81/14/09/571811409.db2.gz FXMAIBQRATVXLX-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN COC(C)(C)CCNCc1cc[nH]n1 234597566 571813448 /nfs/dbraw/zinc/81/34/48/571813448.db2.gz YOTDKZNSYMCEQO-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN COC(C)(C)CCNCc1ncc[nH]1 234598278 571814093 /nfs/dbraw/zinc/81/40/93/571814093.db2.gz LFRBMXYBCHGIDQ-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CC1CCC(NCc2nc[nH]n2)CC1 37919118 571814741 /nfs/dbraw/zinc/81/47/41/571814741.db2.gz IYQULTJPFITZDC-UHFFFAOYSA-N 0 3 194.282 1.473 20 0 ADADHN CC1CCC(NCc2nnc[nH]2)CC1 37919118 571814743 /nfs/dbraw/zinc/81/47/43/571814743.db2.gz IYQULTJPFITZDC-UHFFFAOYSA-N 0 3 194.282 1.473 20 0 ADADHN C[C@@H]1CCCC[C@@H]1NCc1nc[nH]n1 37919132 571817363 /nfs/dbraw/zinc/81/73/63/571817363.db2.gz JDIBVPXVLYDLNP-BDAKNGLRSA-N 0 3 194.282 1.473 20 0 ADADHN C[C@@H]1CCCC[C@H]1NCc1nc[nH]n1 37919134 571815754 /nfs/dbraw/zinc/81/57/54/571815754.db2.gz JDIBVPXVLYDLNP-RKDXNWHRSA-N 0 3 194.282 1.473 20 0 ADADHN C[C@H]1CCCC[C@@H]1NCc1nc[nH]n1 37919133 571817180 /nfs/dbraw/zinc/81/71/80/571817180.db2.gz JDIBVPXVLYDLNP-IUCAKERBSA-N 0 3 194.282 1.473 20 0 ADADHN c1nc(CNC2CCCCC2)n[nH]1 37919045 571817493 /nfs/dbraw/zinc/81/74/93/571817493.db2.gz VGLFDCPSFSOPQQ-UHFFFAOYSA-N 0 3 180.255 1.227 20 0 ADADHN C[C@H]1CCCC[C@H]1NCc1nc[nH]n1 37919135 571817966 /nfs/dbraw/zinc/81/79/66/571817966.db2.gz JDIBVPXVLYDLNP-DTWKUNHWSA-N 0 3 194.282 1.473 20 0 ADADHN c1nc(CNC2CCCCCC2)n[nH]1 37919120 571818252 /nfs/dbraw/zinc/81/82/52/571818252.db2.gz NJELHRNLXRYRRO-UHFFFAOYSA-N 0 3 194.282 1.617 20 0 ADADHN CCCNCc1nc(C)cs1 38090568 571829909 /nfs/dbraw/zinc/82/99/09/571829909.db2.gz SFSITLWQEUTGHD-UHFFFAOYSA-N 0 3 170.281 1.951 20 0 ADADHN CN1CC[C@@H]1CNCc1ccsc1 712581766 571844191 /nfs/dbraw/zinc/84/41/91/571844191.db2.gz PLQQNZWYHYCXPK-SNVBAGLBSA-N 0 3 196.319 1.542 20 0 ADADHN CC(C)=CC(=O)NCCN(C)C1CC1 300745355 571876405 /nfs/dbraw/zinc/87/64/05/571876405.db2.gz QDVWEQYUHVLZKE-UHFFFAOYSA-N 0 3 196.294 1.163 20 0 ADADHN CC(C)N1CC[C@H](F)C1 147916305 571888862 /nfs/dbraw/zinc/88/88/62/571888862.db2.gz XMEDPXXKDVUGHG-ZETCQYMHSA-N 0 3 131.194 1.439 20 0 ADADHN CC(C)NCC(=O)Nc1nccs1 8573385 571901224 /nfs/dbraw/zinc/90/12/24/571901224.db2.gz UEJCWWQDVFNTOQ-UHFFFAOYSA-N 0 3 199.279 1.080 20 0 ADADHN CCC[C@@H](C)NCc1nnc(C)n1C 35695808 571903108 /nfs/dbraw/zinc/90/31/08/571903108.db2.gz GPQNQAOOFPXFGK-MRVPVSSYSA-N 0 3 196.298 1.402 20 0 ADADHN C[C@H](NC1CCC1)c1ncc[nH]1 124800871 571906694 /nfs/dbraw/zinc/90/66/94/571906694.db2.gz QNOKNQRSJVFXNM-ZETCQYMHSA-N 0 3 165.240 1.613 20 0 ADADHN CC(C)N(C/C=C\Cl)CCO 219682949 571910467 /nfs/dbraw/zinc/91/04/67/571910467.db2.gz DPYWATOAPWYILL-ARJAWSKDSA-N 0 3 177.675 1.442 20 0 ADADHN CCCNCc1ncc(C)s1 22862079 571910580 /nfs/dbraw/zinc/91/05/80/571910580.db2.gz XBCXOVRFYGZMKK-UHFFFAOYSA-N 0 3 170.281 1.951 20 0 ADADHN CC(C)CCn1cc([C@H](C)N)nn1 124194871 571911000 /nfs/dbraw/zinc/91/10/00/571911000.db2.gz WQZDDJPTHJTKGU-QMMMGPOBSA-N 0 3 182.271 1.344 20 0 ADADHN C[C@@H]1C[C@H](O)CN(C/C=C\Cl)C1 401491956 571920064 /nfs/dbraw/zinc/92/00/64/571920064.db2.gz HGEVVRYEEUWSAL-HVSMVGKISA-N 0 3 189.686 1.442 20 0 ADADHN CCN(C)[C@@H]1CCCCN1 520887676 571940892 /nfs/dbraw/zinc/94/08/92/571940892.db2.gz URPOSHDCRQSMNL-MRVPVSSYSA-N 0 3 142.246 1.038 20 0 ADADHN CN1CCC(N(C)c2ccco2)CC1 520892119 571941093 /nfs/dbraw/zinc/94/10/93/571941093.db2.gz XOUMRBOYUXONPE-UHFFFAOYSA-N 0 3 194.278 1.810 20 0 ADADHN CCN(C)[C@H]1CCCCN1 520887677 571941751 /nfs/dbraw/zinc/94/17/51/571941751.db2.gz URPOSHDCRQSMNL-QMMMGPOBSA-N 0 3 142.246 1.038 20 0 ADADHN CC[C@H]1COCC(C)(C)N1 11950142 571956476 /nfs/dbraw/zinc/95/64/76/571956476.db2.gz VRLHHZQQOMPSFF-ZETCQYMHSA-N 0 3 143.230 1.163 20 0 ADADHN CC[C@@H]1COCC(C)(C)N1 11950135 571957307 /nfs/dbraw/zinc/95/73/07/571957307.db2.gz VRLHHZQQOMPSFF-SSDOTTSWSA-N 0 3 143.230 1.163 20 0 ADADHN CO[C@@H]1CCC[C@H]1NC/C=C/Cl 234781610 571958688 /nfs/dbraw/zinc/95/86/88/571958688.db2.gz PAOTVHAKBWXNCH-PVNVNXCXSA-N 0 3 189.686 1.896 20 0 ADADHN CN(C)CCNc1cccc(F)n1 40711870 571961957 /nfs/dbraw/zinc/96/19/57/571961957.db2.gz JHKVUEFXYBQNQR-UHFFFAOYSA-N 0 3 183.230 1.194 20 0 ADADHN CC(C)(N)C(=O)N1CCCCCCC1 40920410 571963800 /nfs/dbraw/zinc/96/38/00/571963800.db2.gz RNOHNQPFCRGPON-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN C[C@H]1CCN(c2ccnc(CO)c2)C1 40879356 571964447 /nfs/dbraw/zinc/96/44/47/571964447.db2.gz GOZHYKVPIFZNLB-VIFPVBQESA-N 0 3 192.262 1.420 20 0 ADADHN C[C@@H]1CCN(c2ccnc(CO)c2)C1 40879353 571965362 /nfs/dbraw/zinc/96/53/62/571965362.db2.gz GOZHYKVPIFZNLB-SECBINFHSA-N 0 3 192.262 1.420 20 0 ADADHN C[C@H]1CCCN1c1ccnc(CO)c1 40863734 571965367 /nfs/dbraw/zinc/96/53/67/571965367.db2.gz UHQZAAPHPJWGMT-VIFPVBQESA-N 0 3 192.262 1.563 20 0 ADADHN CCCNCc1cc(C)n[nH]1 41050785 571966536 /nfs/dbraw/zinc/96/65/36/571966536.db2.gz XGGWEXPCLOYSGJ-UHFFFAOYSA-N 0 3 153.229 1.218 20 0 ADADHN CNc1ccccc1CNCCOC 234479161 571978248 /nfs/dbraw/zinc/97/82/48/571978248.db2.gz AEBOEPSKBJKEAO-UHFFFAOYSA-N 0 3 194.278 1.464 20 0 ADADHN CNc1ccccc1CNCCCO 234478945 571979039 /nfs/dbraw/zinc/97/90/39/571979039.db2.gz MAOCMVTYTHHVJV-UHFFFAOYSA-N 0 3 194.278 1.200 20 0 ADADHN CNc1ccccc1CN[C@@H](C)CO 234480386 571982520 /nfs/dbraw/zinc/98/25/20/571982520.db2.gz HNDJYENJEDFWJX-VIFPVBQESA-N 0 3 194.278 1.199 20 0 ADADHN CNc1ccccc1CN[C@H](C)CO 234480650 571982710 /nfs/dbraw/zinc/98/27/10/571982710.db2.gz HNDJYENJEDFWJX-SECBINFHSA-N 0 3 194.278 1.199 20 0 ADADHN CCCC(=O)NC[C@@H]1CCCCN1C 81561703 571985193 /nfs/dbraw/zinc/98/51/93/571985193.db2.gz PPMQFTQRWVYBFT-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCCC(=O)NC[C@H]1CCCCN1C 81561709 571985962 /nfs/dbraw/zinc/98/59/62/571985962.db2.gz PPMQFTQRWVYBFT-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCN1CCN(C/C=C/Cl)CC1 41363757 571986330 /nfs/dbraw/zinc/98/63/30/571986330.db2.gz XZYMUTUSHRCFCE-ONEGZZNKSA-N 0 3 188.702 1.376 20 0 ADADHN CC[C@H](CO)NC/C=C/Cl 234015607 571998819 /nfs/dbraw/zinc/99/88/19/571998819.db2.gz CLCNMOCGIUACTQ-KGGZQZJCSA-N 0 3 163.648 1.099 20 0 ADADHN Cc1cnc2c(c1)CCC[C@@H]2N 39213569 571999023 /nfs/dbraw/zinc/99/90/23/571999023.db2.gz HCOWPHZNMIYZAN-VIFPVBQESA-N 0 3 162.236 1.726 20 0 ADADHN Cc1nnc([C@@H]2CCCN2)n1C1CC1 42031403 572004062 /nfs/dbraw/zinc/00/40/62/572004062.db2.gz ZZVIRDGMGCXUNC-VIFPVBQESA-N 0 3 192.266 1.346 20 0 ADADHN Cc1nnc([C@H]2CCCN2)n1C(C)C 42030994 572004136 /nfs/dbraw/zinc/00/41/36/572004136.db2.gz HAYWELFXYHHEGJ-SECBINFHSA-N 0 3 194.282 1.592 20 0 ADADHN CCC[C@@H](O)CN1CCC[C@H](F)C1 689437972 572007171 /nfs/dbraw/zinc/00/71/71/572007171.db2.gz RBBOJSAKEWSMKU-VHSXEESVSA-N 0 3 189.274 1.581 20 0 ADADHN CCC[C@H](O)CN1CCC[C@@H](F)C1 689437975 572009034 /nfs/dbraw/zinc/00/90/34/572009034.db2.gz RBBOJSAKEWSMKU-ZJUUUORDSA-N 0 3 189.274 1.581 20 0 ADADHN CCCNC(=O)[C@H](N)C[C@H](C)CC 400810420 572011745 /nfs/dbraw/zinc/01/17/45/572011745.db2.gz WXUHTTUYIQUZEO-RKDXNWHRSA-N 0 3 186.299 1.276 20 0 ADADHN CCCCC[C@@H](C)NC(=O)CNC 35141415 572012049 /nfs/dbraw/zinc/01/20/49/572012049.db2.gz DHAKAHQFEYWDJN-SECBINFHSA-N 0 3 186.299 1.291 20 0 ADADHN CCCNC(=O)[C@@H](N)C[C@@H](C)CC 400810419 572012707 /nfs/dbraw/zinc/01/27/07/572012707.db2.gz WXUHTTUYIQUZEO-IUCAKERBSA-N 0 3 186.299 1.276 20 0 ADADHN CCCCC[C@H](C)NC(=O)CNC 35141418 572013370 /nfs/dbraw/zinc/01/33/70/572013370.db2.gz DHAKAHQFEYWDJN-VIFPVBQESA-N 0 3 186.299 1.291 20 0 ADADHN CCCNC(=O)[C@H](N)C[C@@H](C)CC 400810418 572013671 /nfs/dbraw/zinc/01/36/71/572013671.db2.gz WXUHTTUYIQUZEO-DTWKUNHWSA-N 0 3 186.299 1.276 20 0 ADADHN C/C=C/C(=O)N(CCC)CCN(C)C 82238577 572014928 /nfs/dbraw/zinc/01/49/28/572014928.db2.gz KOUXSVQCDYLPCX-FNORWQNLSA-N 0 3 198.310 1.363 20 0 ADADHN CCCCC[C@H](C)NC(=O)CN 35206862 572015590 /nfs/dbraw/zinc/01/55/90/572015590.db2.gz XZRPLKUIHFAAFJ-QMMMGPOBSA-N 0 3 172.272 1.030 20 0 ADADHN CCCCC[C@@H](C)NC(=O)CN 35206861 572016228 /nfs/dbraw/zinc/01/62/28/572016228.db2.gz XZRPLKUIHFAAFJ-MRVPVSSYSA-N 0 3 172.272 1.030 20 0 ADADHN CCCCCC[C@H](C)NC(=O)CN 35222868 572017605 /nfs/dbraw/zinc/01/76/05/572017605.db2.gz WJHRMDGYZVIUBF-VIFPVBQESA-N 0 3 186.299 1.420 20 0 ADADHN CCCCCC[C@@H](C)NC(=O)CN 35222867 572018400 /nfs/dbraw/zinc/01/84/00/572018400.db2.gz WJHRMDGYZVIUBF-SECBINFHSA-N 0 3 186.299 1.420 20 0 ADADHN CSCCCNCc1c[nH]cn1 68998387 572019510 /nfs/dbraw/zinc/01/95/10/572019510.db2.gz LHFBLJLREOUKFU-UHFFFAOYSA-N 0 3 185.296 1.252 20 0 ADADHN CSCCCNCc1cnc[nH]1 68998387 572019513 /nfs/dbraw/zinc/01/95/13/572019513.db2.gz LHFBLJLREOUKFU-UHFFFAOYSA-N 0 3 185.296 1.252 20 0 ADADHN Cc1cn[nH]c1CNCC=CC1CC1 393464979 572020519 /nfs/dbraw/zinc/02/05/19/572020519.db2.gz NRKRYVNHZYSLHW-NSCUHMNNSA-N 0 3 191.278 1.774 20 0 ADADHN Cc1cn[nH]c1CNCC=CC1CC1 393464971 572020737 /nfs/dbraw/zinc/02/07/37/572020737.db2.gz NRKRYVNHZYSLHW-IHWYPQMZSA-N 0 3 191.278 1.774 20 0 ADADHN CCC(O)(CC)CNCc1c[nH]cn1 82394825 572023950 /nfs/dbraw/zinc/02/39/50/572023950.db2.gz FFAXOMDJRIBSBO-UHFFFAOYSA-N 0 3 197.282 1.050 20 0 ADADHN CCC(O)(CC)CNCc1cnc[nH]1 82394825 572023954 /nfs/dbraw/zinc/02/39/54/572023954.db2.gz FFAXOMDJRIBSBO-UHFFFAOYSA-N 0 3 197.282 1.050 20 0 ADADHN C/C=C/C(=O)NC[C@@H]1CCCN1CC 82389987 572024852 /nfs/dbraw/zinc/02/48/52/572024852.db2.gz POICJVHWOTWHLL-YVGDHZEHSA-N 0 3 196.294 1.163 20 0 ADADHN Cc1nnc(CN[C@@H](C)C2CC2)n1C 35733520 572030102 /nfs/dbraw/zinc/03/01/02/572030102.db2.gz ABHCKRBXLGLLQQ-ZETCQYMHSA-N 0 3 194.282 1.012 20 0 ADADHN Cc1nnc(CN[C@H](C)C2CC2)n1C 35733521 572031751 /nfs/dbraw/zinc/03/17/51/572031751.db2.gz ABHCKRBXLGLLQQ-SSDOTTSWSA-N 0 3 194.282 1.012 20 0 ADADHN Cc1nnc(CN[C@H](C)C(C)C)n1C 35696118 572032605 /nfs/dbraw/zinc/03/26/05/572032605.db2.gz RINJGFGAKHEKNB-MRVPVSSYSA-N 0 3 196.298 1.258 20 0 ADADHN CCC[C@H](C)NCc1nnc(C)n1C 35695809 572032704 /nfs/dbraw/zinc/03/27/04/572032704.db2.gz GPQNQAOOFPXFGK-QMMMGPOBSA-N 0 3 196.298 1.402 20 0 ADADHN CCCCNCc1nnc(C)n1C 35695862 572032982 /nfs/dbraw/zinc/03/29/82/572032982.db2.gz BJNNRSZGLALXDU-UHFFFAOYSA-N 0 3 182.271 1.013 20 0 ADADHN Cc1nnc(CNCCC(C)C)n1C 35695898 572033259 /nfs/dbraw/zinc/03/32/59/572033259.db2.gz LSOFBJJIBQYDDN-UHFFFAOYSA-N 0 3 196.298 1.259 20 0 ADADHN CC[C@@H](C)NCc1nnc(C)n1C 35695756 572034597 /nfs/dbraw/zinc/03/45/97/572034597.db2.gz RYHYHDROTNLYEW-SSDOTTSWSA-N 0 3 182.271 1.012 20 0 ADADHN CC[C@H](C)NCc1nnc(C)n1C 35695758 572035603 /nfs/dbraw/zinc/03/56/03/572035603.db2.gz RYHYHDROTNLYEW-ZETCQYMHSA-N 0 3 182.271 1.012 20 0 ADADHN CCC(CC)NCc1nnc(C)n1C 35695764 572035674 /nfs/dbraw/zinc/03/56/74/572035674.db2.gz DQLJLWTZXUQCFO-UHFFFAOYSA-N 0 3 196.298 1.402 20 0 ADADHN CCCN(C)CC(OCC)OCC 82486145 572037310 /nfs/dbraw/zinc/03/73/10/572037310.db2.gz USVKZTJMOXXEGJ-UHFFFAOYSA-N 0 3 189.299 1.727 20 0 ADADHN CCNCC(=O)N1CCC[C@H](C)CC1 82490844 572037324 /nfs/dbraw/zinc/03/73/24/572037324.db2.gz RTNRTRJZHYZDBV-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CCNCC(=O)N1CCC[C@@H](C)CC1 82490846 572037478 /nfs/dbraw/zinc/03/74/78/572037478.db2.gz RTNRTRJZHYZDBV-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CCCC[C@H](N)C(=O)N1CCCC1 35931820 572038361 /nfs/dbraw/zinc/03/83/61/572038361.db2.gz IZWPGYBNYFIMCH-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN CCCCC[C@@H](C)NC(=O)[C@H](C)N 36135766 572038514 /nfs/dbraw/zinc/03/85/14/572038514.db2.gz RWRQCWIFYLCTJL-BDAKNGLRSA-N 0 3 186.299 1.419 20 0 ADADHN CCCC[C@@H](N)C(=O)N1CCCC1 35931823 572038734 /nfs/dbraw/zinc/03/87/34/572038734.db2.gz IZWPGYBNYFIMCH-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN CCOC(CN(C)C1CC1)OCC 82486137 572040148 /nfs/dbraw/zinc/04/01/48/572040148.db2.gz OXFIADJCTFIDGO-UHFFFAOYSA-N 0 3 187.283 1.480 20 0 ADADHN CC[C@@H](O)CN(C)CCC(F)(F)F 82491809 572041956 /nfs/dbraw/zinc/04/19/56/572041956.db2.gz FISGAHAEWKIHBT-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN CCNCC(=O)N(C)CC1CCCC1 82492997 572042329 /nfs/dbraw/zinc/04/23/29/572042329.db2.gz MYHVEFHGPSPUJY-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C[C@H]1CCn2c(nc3c2CCCC3)N1 235603110 572042748 /nfs/dbraw/zinc/04/27/48/572042748.db2.gz CFZXJCCTPSNCOQ-QMMMGPOBSA-N 0 3 191.278 1.966 20 0 ADADHN CCCCCCNC(=O)[C@H](C)N 36204178 572046372 /nfs/dbraw/zinc/04/63/72/572046372.db2.gz URDBIVCUPTUUGH-QMMMGPOBSA-N 0 3 172.272 1.030 20 0 ADADHN C[C@H]1CC(C)(C)O[C@@H](C)N1 34109258 572054627 /nfs/dbraw/zinc/05/46/27/572054627.db2.gz IQNOEDWQOFXIRN-BQBZGAKWSA-N 0 3 143.230 1.509 20 0 ADADHN C[C@H]1CC(C)(C)O[C@H](C)N1 34109255 572056312 /nfs/dbraw/zinc/05/63/12/572056312.db2.gz IQNOEDWQOFXIRN-NKWVEPMBSA-N 0 3 143.230 1.509 20 0 ADADHN CN(C)CCN(C)c1cccc(F)n1 82543321 572056637 /nfs/dbraw/zinc/05/66/37/572056637.db2.gz SZGBWNMOXQAEJX-UHFFFAOYSA-N 0 3 197.257 1.219 20 0 ADADHN C=CC(=O)N(C)C1CCN(CC)CC1 36335039 572058909 /nfs/dbraw/zinc/05/89/09/572058909.db2.gz QNTSWPQALVMCQK-UHFFFAOYSA-N 0 3 196.294 1.115 20 0 ADADHN CCCNCc1ncc(Cl)n1C 36804585 572070110 /nfs/dbraw/zinc/07/01/10/572070110.db2.gz JWBGDTINIRGFJE-UHFFFAOYSA-N 0 3 187.674 1.573 20 0 ADADHN COCCNC[C@H]1CC1(Cl)Cl 82625792 572073283 /nfs/dbraw/zinc/07/32/83/572073283.db2.gz IIBSOBALBQRGQC-ZCFIWIBFSA-N 0 3 198.093 1.416 20 0 ADADHN COCCNC[C@@H]1CC1(Cl)Cl 82625791 572074935 /nfs/dbraw/zinc/07/49/35/572074935.db2.gz IIBSOBALBQRGQC-LURJTMIESA-N 0 3 198.093 1.416 20 0 ADADHN CCNCC(=O)NCC1(C)CCCC1 82625698 572075221 /nfs/dbraw/zinc/07/52/21/572075221.db2.gz QGFQQWLXGLZNGI-UHFFFAOYSA-N 0 3 198.310 1.292 20 0 ADADHN CCC[C@H](C)N[C@@H](C)c1nncn1C 37017139 572078078 /nfs/dbraw/zinc/07/80/78/572078078.db2.gz XXIMTDYPDZURQN-IUCAKERBSA-N 0 3 196.298 1.654 20 0 ADADHN CCCN(CCC(C)C)CC(N)=O 388347139 572077283 /nfs/dbraw/zinc/07/72/83/572077283.db2.gz MQQCDBYZXWJFKV-UHFFFAOYSA-N 0 3 186.299 1.230 20 0 ADADHN CC(C)[C@@H](N)C(=O)NC[C@H]1C=CCC1 711688876 572078607 /nfs/dbraw/zinc/07/86/07/572078607.db2.gz WWOCNQOIMLZSAT-VHSXEESVSA-N 0 3 196.294 1.052 20 0 ADADHN CCC[C@@H](C)N[C@@H](C)c1nncn1C 37017138 572078283 /nfs/dbraw/zinc/07/82/83/572078283.db2.gz XXIMTDYPDZURQN-BDAKNGLRSA-N 0 3 196.298 1.654 20 0 ADADHN CC(C)[C@H](N)C(=O)NC[C@@H]1C=CCC1 711688878 572078720 /nfs/dbraw/zinc/07/87/20/572078720.db2.gz WWOCNQOIMLZSAT-ZJUUUORDSA-N 0 3 196.294 1.052 20 0 ADADHN C[C@H](O)[C@@H](N)c1ccc(F)c(F)c1 34414286 572078956 /nfs/dbraw/zinc/07/89/56/572078956.db2.gz BKMCHPFXUMNRLJ-SSDLBLMSSA-N 0 3 187.189 1.345 20 0 ADADHN C=CC(=O)N[C@H](C)CN1CCCCC1 36999336 572079394 /nfs/dbraw/zinc/07/93/94/572079394.db2.gz JFHOEAUZYDNLPX-SNVBAGLBSA-N 0 3 196.294 1.163 20 0 ADADHN CCC[C@H](C)N[C@H](C)c1nncn1C 37017141 572079868 /nfs/dbraw/zinc/07/98/68/572079868.db2.gz XXIMTDYPDZURQN-DTWKUNHWSA-N 0 3 196.298 1.654 20 0 ADADHN C=CC(=O)N[C@@H](C)CN1CCCCC1 36999335 572079940 /nfs/dbraw/zinc/07/99/40/572079940.db2.gz JFHOEAUZYDNLPX-JTQLQIEISA-N 0 3 196.294 1.163 20 0 ADADHN CCC[C@@H](C)N[C@H](C)c1nncn1C 37017140 572080087 /nfs/dbraw/zinc/08/00/87/572080087.db2.gz XXIMTDYPDZURQN-RKDXNWHRSA-N 0 3 196.298 1.654 20 0 ADADHN CC[C@@H](C)C[C@@H](N)C(=O)NC1CCC1 400941105 572110983 /nfs/dbraw/zinc/11/09/83/572110983.db2.gz NIKARLBFVRPGJX-PSASIEDQSA-N 0 3 198.310 1.419 20 0 ADADHN CCCCNC(=O)[C@H](N)CCCC 37480434 572114360 /nfs/dbraw/zinc/11/43/60/572114360.db2.gz IQWVXDGHTLVNTN-SECBINFHSA-N 0 3 186.299 1.420 20 0 ADADHN C1=C[C@@H](CNCc2cnccn2)CC1 711765155 572114424 /nfs/dbraw/zinc/11/44/24/572114424.db2.gz BWRQGSQUAZUCOY-SNVBAGLBSA-N 0 3 189.262 1.532 20 0 ADADHN C1=C[C@H](CNCc2cnccn2)CC1 711765153 572114963 /nfs/dbraw/zinc/11/49/63/572114963.db2.gz BWRQGSQUAZUCOY-JTQLQIEISA-N 0 3 189.262 1.532 20 0 ADADHN CCCC[C@@H](N)C(=O)N(C)CCC 37480574 572117697 /nfs/dbraw/zinc/11/76/97/572117697.db2.gz OGWJBEPXECTCJJ-SECBINFHSA-N 0 3 186.299 1.372 20 0 ADADHN CCN[C@@H](C)C(=O)NC[C@@H]1C=CCC1 711787684 572118443 /nfs/dbraw/zinc/11/84/43/572118443.db2.gz VLQYEDFBAHILCH-VHSXEESVSA-N 0 3 196.294 1.067 20 0 ADADHN CCCCNCc1cccnc1OC 37408136 572118595 /nfs/dbraw/zinc/11/85/95/572118595.db2.gz TYQRNDSVKBRBGX-UHFFFAOYSA-N 0 3 194.278 1.980 20 0 ADADHN CCN[C@@H](C)C(=O)NC[C@H]1C=CCC1 711787682 572119507 /nfs/dbraw/zinc/11/95/07/572119507.db2.gz VLQYEDFBAHILCH-UWVGGRQHSA-N 0 3 196.294 1.067 20 0 ADADHN CCN[C@H](C)C(=O)NC[C@@H]1C=CCC1 711787678 572120213 /nfs/dbraw/zinc/12/02/13/572120213.db2.gz VLQYEDFBAHILCH-NXEZZACHSA-N 0 3 196.294 1.067 20 0 ADADHN CCN[C@H](C)C(=O)NC[C@H]1C=CCC1 711787686 572120580 /nfs/dbraw/zinc/12/05/80/572120580.db2.gz VLQYEDFBAHILCH-ZJUUUORDSA-N 0 3 196.294 1.067 20 0 ADADHN OCCN[C@H](c1cccnc1)C1CC1 238706166 572122714 /nfs/dbraw/zinc/12/27/14/572122714.db2.gz MVVHHXKILNIBQN-NSHDSACASA-N 0 3 192.262 1.115 20 0 ADADHN O[C@H]1C=C(c2ccccc2)CNC1 238715642 572123389 /nfs/dbraw/zinc/12/33/89/572123389.db2.gz HMXWTHQEPNPQQZ-NSHDSACASA-N 0 3 175.231 1.034 20 0 ADADHN OCCN[C@@H](c1cccnc1)C1CC1 238706758 572123413 /nfs/dbraw/zinc/12/34/13/572123413.db2.gz MVVHHXKILNIBQN-LLVKDONJSA-N 0 3 192.262 1.115 20 0 ADADHN CCN(C(=O)CNC(C)C)C(C)C 37477112 572145934 /nfs/dbraw/zinc/14/59/34/572145934.db2.gz VMYPNNFELXVITI-UHFFFAOYSA-N 0 3 186.299 1.241 20 0 ADADHN CCCC[C@@H](N)C(=O)NCC(C)C 37480389 572150085 /nfs/dbraw/zinc/15/00/85/572150085.db2.gz YALKGNZJJTVQJM-SECBINFHSA-N 0 3 186.299 1.276 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@H](C)CC 37480384 572150620 /nfs/dbraw/zinc/15/06/20/572150620.db2.gz ZTALUDCCDLHYCM-BDAKNGLRSA-N 0 3 186.299 1.419 20 0 ADADHN CCCC[C@H](N)C(=O)NCC1CC1 37480415 572150677 /nfs/dbraw/zinc/15/06/77/572150677.db2.gz MKBMUJBVKAIJFF-VIFPVBQESA-N 0 3 184.283 1.030 20 0 ADADHN CCCC[C@@H](N)C(=O)N(CC)CC 37480367 572150734 /nfs/dbraw/zinc/15/07/34/572150734.db2.gz HQRHGDHWKQRKBH-SECBINFHSA-N 0 3 186.299 1.372 20 0 ADADHN CCCC[C@@H](N)C(=O)N[C@@H](C)CC 37480383 572150913 /nfs/dbraw/zinc/15/09/13/572150913.db2.gz ZTALUDCCDLHYCM-DTWKUNHWSA-N 0 3 186.299 1.419 20 0 ADADHN CCCC[C@H](N)C(=O)NC(C)C 37480374 572151178 /nfs/dbraw/zinc/15/11/78/572151178.db2.gz PCVNUPYLWSMJPI-QMMMGPOBSA-N 0 3 172.272 1.029 20 0 ADADHN CCCC[C@@H](N)C(=O)NCC1CC1 37480416 572151383 /nfs/dbraw/zinc/15/13/83/572151383.db2.gz MKBMUJBVKAIJFF-SECBINFHSA-N 0 3 184.283 1.030 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@@H](C)CC 37480382 572151403 /nfs/dbraw/zinc/15/14/03/572151403.db2.gz ZTALUDCCDLHYCM-IUCAKERBSA-N 0 3 186.299 1.419 20 0 ADADHN CCCC[C@@H](N)C(=O)N[C@H](C)CC 37480385 572151453 /nfs/dbraw/zinc/15/14/53/572151453.db2.gz ZTALUDCCDLHYCM-RKDXNWHRSA-N 0 3 186.299 1.419 20 0 ADADHN CCCC[C@@H](N)C(=O)N(C)C(C)C 37480449 572151937 /nfs/dbraw/zinc/15/19/37/572151937.db2.gz IDOZRFASQLJHJQ-SECBINFHSA-N 0 3 186.299 1.371 20 0 ADADHN CC[C@H](O)CNC/C=C/Cl 234065083 572152136 /nfs/dbraw/zinc/15/21/36/572152136.db2.gz BXNUABGWHREGTE-SDLBARTOSA-N 0 3 163.648 1.099 20 0 ADADHN CCCCNC(=O)[C@@H](N)CCCC 37480433 572152158 /nfs/dbraw/zinc/15/21/58/572152158.db2.gz IQWVXDGHTLVNTN-VIFPVBQESA-N 0 3 186.299 1.420 20 0 ADADHN CCCC[C@H](N)C(=O)N(C)C(C)C 37480448 572152279 /nfs/dbraw/zinc/15/22/79/572152279.db2.gz IDOZRFASQLJHJQ-VIFPVBQESA-N 0 3 186.299 1.371 20 0 ADADHN CCCC[C@H](N)C(=O)N(CC)CC 37480366 572153040 /nfs/dbraw/zinc/15/30/40/572153040.db2.gz HQRHGDHWKQRKBH-VIFPVBQESA-N 0 3 186.299 1.372 20 0 ADADHN CCCC[C@@H](N)C(=O)N(C)C1CC1 37480560 572154580 /nfs/dbraw/zinc/15/45/80/572154580.db2.gz WIEMKFOSXUBBEH-SECBINFHSA-N 0 3 184.283 1.125 20 0 ADADHN CCCC[C@@H](N)C(=O)NCC1CCC1 37480592 572155131 /nfs/dbraw/zinc/15/51/31/572155131.db2.gz YCBFBWWCBPHNEF-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN CCCC[C@@H](N)C(=O)N[C@@H](C)C1CC1 37480644 572156432 /nfs/dbraw/zinc/15/64/32/572156432.db2.gz BJPWNHXBXATKFT-WCBMZHEXSA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@H](N)C(=O)N(C)CCC 37480573 572156674 /nfs/dbraw/zinc/15/66/74/572156674.db2.gz OGWJBEPXECTCJJ-VIFPVBQESA-N 0 3 186.299 1.372 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@@H](C)C1CC1 37480643 572157000 /nfs/dbraw/zinc/15/70/00/572157000.db2.gz BJPWNHXBXATKFT-WPRPVWTQSA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@H](N)C(=O)NCC1CCC1 37480591 572157074 /nfs/dbraw/zinc/15/70/74/572157074.db2.gz YCBFBWWCBPHNEF-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN COCCNCc1cnc(C)s1 37505297 572162062 /nfs/dbraw/zinc/16/20/62/572162062.db2.gz JZBSNJXDYHDAHV-UHFFFAOYSA-N 0 3 186.280 1.188 20 0 ADADHN CN(C[C@H](O)c1ccccc1)C1CC1 37500661 572162361 /nfs/dbraw/zinc/16/23/61/572162361.db2.gz FOOSVRCTVADIIB-LBPRGKRZSA-N 0 3 191.274 1.814 20 0 ADADHN CN(C[C@@H](O)c1ccccc1)C1CC1 37500662 572162393 /nfs/dbraw/zinc/16/23/93/572162393.db2.gz FOOSVRCTVADIIB-GFCCVEGCSA-N 0 3 191.274 1.814 20 0 ADADHN COC(=O)CCNc1ccncc1 37753313 572186957 /nfs/dbraw/zinc/18/69/57/572186957.db2.gz JUCKBXJCVOCUIX-UHFFFAOYSA-N 0 3 180.207 1.057 20 0 ADADHN CC[C@H](NCc1nc[nH]n1)C1CC1 83055675 572189396 /nfs/dbraw/zinc/18/93/96/572189396.db2.gz NUPXBULEOQVBEL-QMMMGPOBSA-N 0 3 180.255 1.083 20 0 ADADHN CC[C@@H](NCc1nc[nH]n1)C1CC1 83055677 572189735 /nfs/dbraw/zinc/18/97/35/572189735.db2.gz NUPXBULEOQVBEL-MRVPVSSYSA-N 0 3 180.255 1.083 20 0 ADADHN CCCC[C@H](N)C(=O)N(C)CC1CC1 37816389 572194928 /nfs/dbraw/zinc/19/49/28/572194928.db2.gz GWTNAQUDNLDGIT-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CCC(=O)N[C@H](CN(C)C)C(C)C 70226848 572199779 /nfs/dbraw/zinc/19/97/79/572199779.db2.gz WVULXPWOZSZKJK-SECBINFHSA-N 0 3 186.299 1.099 20 0 ADADHN CCN(C)CCNC(=O)C(C)(C)C 70232512 572201279 /nfs/dbraw/zinc/20/12/79/572201279.db2.gz HEZVUVXZJCGWNF-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCC(=O)N[C@@H](CN(C)C)C(C)C 70226847 572201074 /nfs/dbraw/zinc/20/10/74/572201074.db2.gz WVULXPWOZSZKJK-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)[C@H](CN(C)C)NC(=O)C1CC1 70226846 572202023 /nfs/dbraw/zinc/20/20/23/572202023.db2.gz BLIXZMVQWQOPOK-JTQLQIEISA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)[C@@H](CN(C)C)NC(=O)C1CC1 70226845 572202154 /nfs/dbraw/zinc/20/21/54/572202154.db2.gz BLIXZMVQWQOPOK-SNVBAGLBSA-N 0 3 198.310 1.099 20 0 ADADHN OCCCCCCNCc1ncc[nH]1 83342790 572204284 /nfs/dbraw/zinc/20/42/84/572204284.db2.gz AQXPIZVLNFZQAR-UHFFFAOYSA-N 0 3 197.282 1.052 20 0 ADADHN OCCCCCCNCc1ccco1 83342787 572204419 /nfs/dbraw/zinc/20/44/19/572204419.db2.gz DYHLHNKGEIGSMM-UHFFFAOYSA-N 0 3 197.278 1.922 20 0 ADADHN CCCCCCNC(=O)C1(N)CC1 83340933 572206109 /nfs/dbraw/zinc/20/61/09/572206109.db2.gz PUEGOTUESKQYJD-UHFFFAOYSA-N 0 3 184.283 1.174 20 0 ADADHN C[C@H](N)C(=O)N1CCCCCCC1 20265832 572215479 /nfs/dbraw/zinc/21/54/79/572215479.db2.gz URROWOPGAACQHX-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN CCC(C)(C)NC(=O)[C@@H](C)NC1CC1 20365364 572219284 /nfs/dbraw/zinc/21/92/84/572219284.db2.gz HKKMDAGEDAZFEW-MRVPVSSYSA-N 0 3 198.310 1.432 20 0 ADADHN C=CC(=O)N1CCCN(C)C[C@@H]1CC 234110177 572221311 /nfs/dbraw/zinc/22/13/11/572221311.db2.gz MVTTVBOZEKOTLU-JTQLQIEISA-N 0 3 196.294 1.115 20 0 ADADHN Cc1cnc([C@@H]2CCCCN2)cn1 82870016 572225288 /nfs/dbraw/zinc/22/52/88/572225288.db2.gz CUSPXENGAWCHJH-VIFPVBQESA-N 0 3 177.251 1.600 20 0 ADADHN CC(C)NCc1ncc(Cl)n1C 36804415 572225525 /nfs/dbraw/zinc/22/55/25/572225525.db2.gz ZRZNIYSLKPNFIB-UHFFFAOYSA-N 0 3 187.674 1.572 20 0 ADADHN Cc1ccc([C@@H](CN)N(C)C)s1 36906757 572226979 /nfs/dbraw/zinc/22/69/79/572226979.db2.gz RQPBUYBUQJQGNW-MRVPVSSYSA-N 0 3 184.308 1.618 20 0 ADADHN Cc1ccc([C@H](CN)N(C)C)s1 36906758 572227398 /nfs/dbraw/zinc/22/73/98/572227398.db2.gz RQPBUYBUQJQGNW-QMMMGPOBSA-N 0 3 184.308 1.618 20 0 ADADHN c1coc([C@H]2CCN2)c1 20596534 572228689 /nfs/dbraw/zinc/22/86/89/572228689.db2.gz FXSBCJGVJOJKSE-ZCFIWIBFSA-N 0 3 123.155 1.314 20 0 ADADHN c1coc([C@@H]2CCN2)c1 20596533 572229311 /nfs/dbraw/zinc/22/93/11/572229311.db2.gz FXSBCJGVJOJKSE-LURJTMIESA-N 0 3 123.155 1.314 20 0 ADADHN c1nc(CNCC2CCCCC2)n[nH]1 37919162 572237778 /nfs/dbraw/zinc/23/77/78/572237778.db2.gz VAFKNXDZVXUOOB-UHFFFAOYSA-N 0 3 194.282 1.475 20 0 ADADHN CC(C)N(C/C=C/Cl)CCO 50103612 572251470 /nfs/dbraw/zinc/25/14/70/572251470.db2.gz DPYWATOAPWYILL-ONEGZZNKSA-N 0 3 177.675 1.442 20 0 ADADHN CCCCN(C/C=C/Cl)CCO 50106118 572251497 /nfs/dbraw/zinc/25/14/97/572251497.db2.gz CDWCYOAZSIKLPK-SNAWJCMRSA-N 0 3 191.702 1.833 20 0 ADADHN CN(C)CCNc1nccs1 21800616 572252525 /nfs/dbraw/zinc/25/25/25/572252525.db2.gz JLNBKBFXJUPABR-UHFFFAOYSA-N 0 3 171.269 1.117 20 0 ADADHN CCC(=O)OCCN(CC)CC 196343559 572327378 /nfs/dbraw/zinc/32/73/78/572327378.db2.gz IYLIXOSUWQUYIH-UHFFFAOYSA-N 0 3 173.256 1.281 20 0 ADADHN CN(C/C=C/Cl)CC1(O)CCC1 307982077 572336483 /nfs/dbraw/zinc/33/64/83/572336483.db2.gz PIDQSNRPAVVNTL-ZZXKWVIFSA-N 0 3 189.686 1.586 20 0 ADADHN CN(C/C=C\Cl)CC1(O)CCC1 307982075 572336721 /nfs/dbraw/zinc/33/67/21/572336721.db2.gz PIDQSNRPAVVNTL-UTCJRWHESA-N 0 3 189.686 1.586 20 0 ADADHN COC[C@@H](C)NC/C=C/Cl 234687635 572339870 /nfs/dbraw/zinc/33/98/70/572339870.db2.gz LOJNXAJNVQYSLA-KGGZQZJCSA-N 0 3 163.648 1.363 20 0 ADADHN CN(C/C=C\Cl)CCCCCO 307983424 572340877 /nfs/dbraw/zinc/34/08/77/572340877.db2.gz QSBFQKVUHGOXDJ-WAYWQWQTSA-N 0 3 191.702 1.833 20 0 ADADHN COC[C@H](C)NC/C=C/Cl 234696042 572356157 /nfs/dbraw/zinc/35/61/57/572356157.db2.gz LOJNXAJNVQYSLA-SDLBARTOSA-N 0 3 163.648 1.363 20 0 ADADHN C[C@H](N[C@H](C)[C@@H](C)O)c1ccccn1 87127846 572370817 /nfs/dbraw/zinc/37/08/17/572370817.db2.gz APGVAUHDWKLXLT-KXUCPTDWSA-N 0 3 194.278 1.502 20 0 ADADHN C[C@H](N[C@@H](C)[C@@H](C)O)c1ccccn1 87127840 572371460 /nfs/dbraw/zinc/37/14/60/572371460.db2.gz APGVAUHDWKLXLT-LPEHRKFASA-N 0 3 194.278 1.502 20 0 ADADHN Cc1occc1CN(C)[C@@H](C)[C@@H](C)O 87137660 572376581 /nfs/dbraw/zinc/37/65/81/572376581.db2.gz PPCVDHIBHAQEGM-DTWKUNHWSA-N 0 3 197.278 1.789 20 0 ADADHN C[C@@H](O)[C@@H](C)N(C)Cc1ccoc1 87137653 572377400 /nfs/dbraw/zinc/37/74/00/572377400.db2.gz WHVQDOBXKIKOMN-RKDXNWHRSA-N 0 3 183.251 1.481 20 0 ADADHN C[C@@H]([C@@H](C)O)N(C)Cc1ccoc1 87137650 572377837 /nfs/dbraw/zinc/37/78/37/572377837.db2.gz WHVQDOBXKIKOMN-DTWKUNHWSA-N 0 3 183.251 1.481 20 0 ADADHN C[C@H](O)[C@@H](C)N(C)Cc1ccoc1 87137658 572378170 /nfs/dbraw/zinc/37/81/70/572378170.db2.gz WHVQDOBXKIKOMN-BDAKNGLRSA-N 0 3 183.251 1.481 20 0 ADADHN Cc1occc1CN(C)[C@H](C)[C@@H](C)O 87137663 572378470 /nfs/dbraw/zinc/37/84/70/572378470.db2.gz PPCVDHIBHAQEGM-RKDXNWHRSA-N 0 3 197.278 1.789 20 0 ADADHN C[C@H](O)[C@H](C)N(C)Cc1ccoc1 87137655 572378911 /nfs/dbraw/zinc/37/89/11/572378911.db2.gz WHVQDOBXKIKOMN-IUCAKERBSA-N 0 3 183.251 1.481 20 0 ADADHN CCN(Cc1c[nH]cn1)C(C)C 308002018 572384902 /nfs/dbraw/zinc/38/49/02/572384902.db2.gz BIWKAHCTOWRZLB-UHFFFAOYSA-N 0 3 167.256 1.640 20 0 ADADHN CCN(Cc1cnc[nH]1)C(C)C 308002018 572384908 /nfs/dbraw/zinc/38/49/08/572384908.db2.gz BIWKAHCTOWRZLB-UHFFFAOYSA-N 0 3 167.256 1.640 20 0 ADADHN CCNCC(=O)N(C)c1ccccc1 44288589 572386673 /nfs/dbraw/zinc/38/66/73/572386673.db2.gz PSVXQZFAYAQLML-UHFFFAOYSA-N 0 3 192.262 1.259 20 0 ADADHN CC[C@H](C)C(=O)NCCN(C)CC 197014529 572391763 /nfs/dbraw/zinc/39/17/63/572391763.db2.gz ANMJXXPVUNTKOX-VIFPVBQESA-N 0 3 186.299 1.100 20 0 ADADHN Cc1cscc1CN[C@H](C)[C@H](C)O 87310624 572414249 /nfs/dbraw/zinc/41/42/49/572414249.db2.gz YXMDAJKVICJPJX-BDAKNGLRSA-N 0 3 199.319 1.915 20 0 ADADHN Cc1cscc1CN[C@@H](C)[C@H](C)O 87310623 572416960 /nfs/dbraw/zinc/41/69/60/572416960.db2.gz YXMDAJKVICJPJX-IUCAKERBSA-N 0 3 199.319 1.915 20 0 ADADHN Cc1cscc1CN[C@@H](C)[C@@H](C)O 87310621 572417478 /nfs/dbraw/zinc/41/74/78/572417478.db2.gz YXMDAJKVICJPJX-DTWKUNHWSA-N 0 3 199.319 1.915 20 0 ADADHN Cc1cscc1CN[C@H](C)[C@@H](C)O 87310622 572417989 /nfs/dbraw/zinc/41/79/89/572417989.db2.gz YXMDAJKVICJPJX-RKDXNWHRSA-N 0 3 199.319 1.915 20 0 ADADHN C/C=C/C(=O)N(C)C[C@H]1CCCN1C 87333861 572419378 /nfs/dbraw/zinc/41/93/78/572419378.db2.gz QJIDPKRFBZOOCI-DFVUYQKZSA-N 0 3 196.294 1.115 20 0 ADADHN C/C=C/C(=O)N(C)C[C@@H]1CCCN1C 87333859 572421132 /nfs/dbraw/zinc/42/11/32/572421132.db2.gz QJIDPKRFBZOOCI-RWCYGVJQSA-N 0 3 196.294 1.115 20 0 ADADHN CCCCC[C@@H](C)NC(=O)C1(N)CC1 83834362 572430031 /nfs/dbraw/zinc/43/00/31/572430031.db2.gz FXMKQSYYUDUNPF-SECBINFHSA-N 0 3 198.310 1.563 20 0 ADADHN CCCCC[C@H](C)NC(=O)C1(N)CC1 83834364 572430715 /nfs/dbraw/zinc/43/07/15/572430715.db2.gz FXMKQSYYUDUNPF-VIFPVBQESA-N 0 3 198.310 1.563 20 0 ADADHN Cc1cc(CNCC2CCC2)no1 83838587 572436798 /nfs/dbraw/zinc/43/67/98/572436798.db2.gz LIACMEUGWMGTLI-UHFFFAOYSA-N 0 3 180.251 1.873 20 0 ADADHN c1nc(CNCCC2CC2)c[nH]1 83893838 572439403 /nfs/dbraw/zinc/43/94/03/572439403.db2.gz ISQJKQVRSXJKKK-UHFFFAOYSA-N 0 3 165.240 1.299 20 0 ADADHN C[C@H](O)[C@H](C)N(C)CCC(F)(F)F 83890295 572439497 /nfs/dbraw/zinc/43/94/97/572439497.db2.gz ZCTCWJDQGNDNAL-BQBZGAKWSA-N 0 3 199.216 1.640 20 0 ADADHN CCCC[C@@H](N)C(=O)NCCC1CC1 83894336 572439924 /nfs/dbraw/zinc/43/99/24/572439924.db2.gz SXYQSJNUJFYNQR-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN c1cnc(CNCCC2CC2)cn1 83893839 572439997 /nfs/dbraw/zinc/43/99/97/572439997.db2.gz WEQYWEPETQCDFV-UHFFFAOYSA-N 0 3 177.251 1.366 20 0 ADADHN C[C@H](O)[C@@H](C)N(C)CCC(F)(F)F 83890296 572440632 /nfs/dbraw/zinc/44/06/32/572440632.db2.gz ZCTCWJDQGNDNAL-RQJHMYQMSA-N 0 3 199.216 1.640 20 0 ADADHN CCCC[C@H](N)C(=O)NCCC1CC1 83894335 572441138 /nfs/dbraw/zinc/44/11/38/572441138.db2.gz SXYQSJNUJFYNQR-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN C[C@@H](O)[C@@H](C)N(C)CCC(F)(F)F 83890294 572441794 /nfs/dbraw/zinc/44/17/94/572441794.db2.gz ZCTCWJDQGNDNAL-RNFRBKRXSA-N 0 3 199.216 1.640 20 0 ADADHN C[C@@H]([C@@H](C)O)N(C)CCC(F)(F)F 83890293 572441954 /nfs/dbraw/zinc/44/19/54/572441954.db2.gz ZCTCWJDQGNDNAL-NKWVEPMBSA-N 0 3 199.216 1.640 20 0 ADADHN C[C@@]1(CC2CC2)NCCc2nc[nH]c21 306667010 572448562 /nfs/dbraw/zinc/44/85/62/572448562.db2.gz ACUMISAZKLTEMK-NSHDSACASA-N 0 3 191.278 1.571 20 0 ADADHN C[C@]1(CC2CC2)NCCc2nc[nH]c21 306667005 572449842 /nfs/dbraw/zinc/44/98/42/572449842.db2.gz ACUMISAZKLTEMK-LLVKDONJSA-N 0 3 191.278 1.571 20 0 ADADHN CCNCc1nc2c([nH]1)CCC2 68945958 572456226 /nfs/dbraw/zinc/45/62/26/572456226.db2.gz IVFNLDRXCOWRDF-UHFFFAOYSA-N 0 3 165.240 1.008 20 0 ADADHN OCC[C@@H]1CCCN1C/C=C\Cl 308028738 572459780 /nfs/dbraw/zinc/45/97/80/572459780.db2.gz YLWMFGJWAFFAQC-ANTNXHBISA-N 0 3 189.686 1.586 20 0 ADADHN OCC[C@H]1CCCN1C/C=C\Cl 308028739 572459920 /nfs/dbraw/zinc/45/99/20/572459920.db2.gz YLWMFGJWAFFAQC-JHYPKJRRSA-N 0 3 189.686 1.586 20 0 ADADHN OCC[C@@H]1CCCN1C/C=C/Cl 308028740 572460055 /nfs/dbraw/zinc/46/00/55/572460055.db2.gz YLWMFGJWAFFAQC-MAHOQKISSA-N 0 3 189.686 1.586 20 0 ADADHN OCC[C@H]1CCCN1C/C=C/Cl 308028741 572460069 /nfs/dbraw/zinc/46/00/69/572460069.db2.gz YLWMFGJWAFFAQC-OSOUNJMWSA-N 0 3 189.686 1.586 20 0 ADADHN Cc1ccnc(NC[C@@H](C)N(C)C)n1 61859125 572460249 /nfs/dbraw/zinc/46/02/49/572460249.db2.gz XTHAGCGTYJWUGQ-SECBINFHSA-N 0 3 194.282 1.147 20 0 ADADHN Cc1ccnc(NC[C@H](C)N(C)C)n1 61859126 572462488 /nfs/dbraw/zinc/46/24/88/572462488.db2.gz XTHAGCGTYJWUGQ-VIFPVBQESA-N 0 3 194.282 1.147 20 0 ADADHN CCN[C@@H](CC)c1nccn1C 69029268 572464033 /nfs/dbraw/zinc/46/40/33/572464033.db2.gz RKXWZNDMRFGFIU-QMMMGPOBSA-N 0 3 167.256 1.481 20 0 ADADHN CCNCC(=O)N[C@@H]1CCC[C@@H](C)C1 44647030 572464113 /nfs/dbraw/zinc/46/41/13/572464113.db2.gz XUQUAYSVUWPTDM-NXEZZACHSA-N 0 3 198.310 1.291 20 0 ADADHN Cc1cc([C@H](C)NC(=O)CN)c(C)o1 44731203 572477431 /nfs/dbraw/zinc/47/74/31/572477431.db2.gz PMUZXANLBODPHB-ZETCQYMHSA-N 0 3 196.250 1.032 20 0 ADADHN Cc1cc([C@@H](C)NC(=O)CN)c(C)o1 44731202 572477573 /nfs/dbraw/zinc/47/75/73/572477573.db2.gz PMUZXANLBODPHB-SSDOTTSWSA-N 0 3 196.250 1.032 20 0 ADADHN CCCCN(C)C/C=C/C(=O)OCC 87415880 572478123 /nfs/dbraw/zinc/47/81/23/572478123.db2.gz ROYPZHZDHDWJGF-BQYQJAHWSA-N 0 3 199.294 1.838 20 0 ADADHN CCOC(=O)/C=C/CN(CC)C1CC1 87415897 572478601 /nfs/dbraw/zinc/47/86/01/572478601.db2.gz ZHLZNWDGRSOQFF-AATRIKPKSA-N 0 3 197.278 1.590 20 0 ADADHN C[C@@H](CCO)NC/C=C/Cl 235087509 572491313 /nfs/dbraw/zinc/49/13/13/572491313.db2.gz LMTVGBYPCLCTQP-XBBYQOBLSA-N 0 3 163.648 1.099 20 0 ADADHN C1=CO[C@@H](CNCc2c[nH]cn2)CC1 84080829 572492936 /nfs/dbraw/zinc/49/29/36/572492936.db2.gz VWPRATRLSXOSAI-SNVBAGLBSA-N 0 3 193.250 1.192 20 0 ADADHN C1=CO[C@@H](CNCc2cnc[nH]2)CC1 84080829 572492938 /nfs/dbraw/zinc/49/29/38/572492938.db2.gz VWPRATRLSXOSAI-SNVBAGLBSA-N 0 3 193.250 1.192 20 0 ADADHN C1=CO[C@H](CNCc2c[nH]cn2)CC1 84080828 572496035 /nfs/dbraw/zinc/49/60/35/572496035.db2.gz VWPRATRLSXOSAI-JTQLQIEISA-N 0 3 193.250 1.192 20 0 ADADHN C1=CO[C@H](CNCc2cnc[nH]2)CC1 84080828 572496040 /nfs/dbraw/zinc/49/60/40/572496040.db2.gz VWPRATRLSXOSAI-JTQLQIEISA-N 0 3 193.250 1.192 20 0 ADADHN CCNCC(=O)N1CCC[C@H]1C(C)C 84126185 572502508 /nfs/dbraw/zinc/50/25/08/572502508.db2.gz RSVMHTAEEDSJTK-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCC(=O)CCN1CC=CCC1 308042476 572502823 /nfs/dbraw/zinc/50/28/23/572502823.db2.gz NYEBNNRQOKTXRQ-UHFFFAOYSA-N 0 3 167.252 1.618 20 0 ADADHN CC[C@@H](O)CNC/C=C\Cl 307778736 572504121 /nfs/dbraw/zinc/50/41/21/572504121.db2.gz BXNUABGWHREGTE-KFOINNEUSA-N 0 3 163.648 1.099 20 0 ADADHN CC[C@H](O)CNC/C=C\Cl 307778734 572504416 /nfs/dbraw/zinc/50/44/16/572504416.db2.gz BXNUABGWHREGTE-AVALRIAPSA-N 0 3 163.648 1.099 20 0 ADADHN CCNCC(=O)N1CCC[C@@H]1C(C)C 84126183 572504779 /nfs/dbraw/zinc/50/47/79/572504779.db2.gz RSVMHTAEEDSJTK-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](CNC1CSC1)C(F)(F)F 308043790 572507767 /nfs/dbraw/zinc/50/77/67/572507767.db2.gz ONFRHXQDRLAPKN-RXMQYKEDSA-N 0 3 199.241 1.890 20 0 ADADHN c1nc(CNC[C@@H]2CCCS2)c[nH]1 87473124 572508297 /nfs/dbraw/zinc/50/82/97/572508297.db2.gz ACCATBOFFRGFBY-VIFPVBQESA-N 0 3 197.307 1.395 20 0 ADADHN c1ncc(CNC[C@@H]2CCCS2)[nH]1 87473124 572508300 /nfs/dbraw/zinc/50/83/00/572508300.db2.gz ACCATBOFFRGFBY-VIFPVBQESA-N 0 3 197.307 1.395 20 0 ADADHN C[C@@H](CNC1CSC1)C(F)(F)F 308044023 572508824 /nfs/dbraw/zinc/50/88/24/572508824.db2.gz ONFRHXQDRLAPKN-YFKPBYRVSA-N 0 3 199.241 1.890 20 0 ADADHN Cc1ccc(COC2CNC2)cc1C 62809997 572515513 /nfs/dbraw/zinc/51/55/13/572515513.db2.gz MEUZZYTZLYSPAA-UHFFFAOYSA-N 0 3 191.274 1.792 20 0 ADADHN CCN(Cc1ccno1)C(C)C 308045118 572513800 /nfs/dbraw/zinc/51/38/00/572513800.db2.gz PCUSLODWNVDFAQ-UHFFFAOYSA-N 0 3 168.240 1.905 20 0 ADADHN Cc1ccc(C)c(COC2CNC2)c1 62809956 572514758 /nfs/dbraw/zinc/51/47/58/572514758.db2.gz WYXDAIIMGJAUQJ-UHFFFAOYSA-N 0 3 191.274 1.792 20 0 ADADHN CC(C)(C)CCOC1CNC1 62810006 572515846 /nfs/dbraw/zinc/51/58/46/572515846.db2.gz MNMRPPXFZFQAPZ-UHFFFAOYSA-N 0 3 157.257 1.411 20 0 ADADHN CSCCNCc1cc(C)nn1C 84244579 572518254 /nfs/dbraw/zinc/51/82/54/572518254.db2.gz JMFIBFZHWWJDQF-UHFFFAOYSA-N 0 3 199.323 1.181 20 0 ADADHN CCCCCN1CC(O)(C(C)C)C1 84376894 572541446 /nfs/dbraw/zinc/54/14/46/572541446.db2.gz MELDJZFHTYADGO-UHFFFAOYSA-N 0 3 185.311 1.879 20 0 ADADHN CC(C)C1(O)CN(CCC2CC2)C1 84376826 572542142 /nfs/dbraw/zinc/54/21/42/572542142.db2.gz DXZNHUIAULOMPJ-UHFFFAOYSA-N 0 3 183.295 1.489 20 0 ADADHN CC[C@@H](C)CN1CC(O)(C(C)C)C1 84376729 572542200 /nfs/dbraw/zinc/54/22/00/572542200.db2.gz HRATWOOOPDNOGF-SNVBAGLBSA-N 0 3 185.311 1.735 20 0 ADADHN CC[C@H](C)CN1CC(O)(C(C)C)C1 84376730 572543252 /nfs/dbraw/zinc/54/32/52/572543252.db2.gz HRATWOOOPDNOGF-JTQLQIEISA-N 0 3 185.311 1.735 20 0 ADADHN CC(C)CCN1CC(O)(C(C)C)C1 84376843 572543769 /nfs/dbraw/zinc/54/37/69/572543769.db2.gz OALZDLANHQOXIS-UHFFFAOYSA-N 0 3 185.311 1.735 20 0 ADADHN CCCCN1CC(O)(C(C)C)C1 84376676 572543924 /nfs/dbraw/zinc/54/39/24/572543924.db2.gz BUERZKGCLSYQSF-UHFFFAOYSA-N 0 3 171.284 1.489 20 0 ADADHN Cc1cccc([C@H](N)CO)c1Cl 72197564 572609497 /nfs/dbraw/zinc/60/94/97/572609497.db2.gz PQVPTZRWMCKUQH-MRVPVSSYSA-N 0 3 185.654 1.641 20 0 ADADHN Cc1cccc([C@@H](N)CO)c1Cl 72197565 572611467 /nfs/dbraw/zinc/61/14/67/572611467.db2.gz PQVPTZRWMCKUQH-QMMMGPOBSA-N 0 3 185.654 1.641 20 0 ADADHN Cc1cc(CN)nc(-c2ccoc2)n1 69947145 572615332 /nfs/dbraw/zinc/61/53/32/572615332.db2.gz ANWVMXBFFZLWMZ-UHFFFAOYSA-N 0 3 189.218 1.504 20 0 ADADHN C[C@@H]1C[C@]2(NCCc3nc[nH]c32)[C@@H]1C 306913392 572633728 /nfs/dbraw/zinc/63/37/28/572633728.db2.gz SZRQIBXYFQWWLM-XLDPMVHQSA-N 0 3 191.278 1.427 20 0 ADADHN C[C@@H]1C[C@@]2(NCCc3nc[nH]c32)[C@@H]1C 306913389 572634206 /nfs/dbraw/zinc/63/42/06/572634206.db2.gz SZRQIBXYFQWWLM-SOCHQFKDSA-N 0 3 191.278 1.427 20 0 ADADHN C[C@H]1[C@H](C)C[C@@]12NCCc1nc[nH]c12 306913390 572634296 /nfs/dbraw/zinc/63/42/96/572634296.db2.gz SZRQIBXYFQWWLM-VHSKPIJISA-N 0 3 191.278 1.427 20 0 ADADHN C[C@H]1[C@H](C)C[C@]12NCCc1nc[nH]c12 306913387 572634318 /nfs/dbraw/zinc/63/43/18/572634318.db2.gz SZRQIBXYFQWWLM-FYBVGQRMSA-N 0 3 191.278 1.427 20 0 ADADHN NC[C@H](F)CC(F)(F)F 213628001 572638474 /nfs/dbraw/zinc/63/84/74/572638474.db2.gz UNIPAUHXJAHRFL-GSVOUGTGSA-N 0 3 145.099 1.236 20 0 ADADHN OCCN(C/C=C\Cl)CC1CC1 308082060 572642669 /nfs/dbraw/zinc/64/26/69/572642669.db2.gz KEMRQOXTHXKKHG-RJRFIUFISA-N 0 3 189.686 1.443 20 0 ADADHN OCCCCN(CCF)C1CC1 308081902 572642260 /nfs/dbraw/zinc/64/22/60/572642260.db2.gz JVLBPDNYLCKHCE-UHFFFAOYSA-N 0 3 175.247 1.193 20 0 ADADHN OCCN(C/C=C/Cl)CC1CC1 308082059 572643803 /nfs/dbraw/zinc/64/38/03/572643803.db2.gz KEMRQOXTHXKKHG-DAFODLJHSA-N 0 3 189.686 1.443 20 0 ADADHN OC[C@@H](NC/C=C/Cl)C1CC1 307852189 572649564 /nfs/dbraw/zinc/64/95/64/572649564.db2.gz AYHYMEMQVQFTLW-YKXFLQSUSA-N 0 3 175.659 1.099 20 0 ADADHN OC[C@H](NC/C=C/Cl)C1CC1 307852188 572649704 /nfs/dbraw/zinc/64/97/04/572649704.db2.gz AYHYMEMQVQFTLW-WTJMVXMFSA-N 0 3 175.659 1.099 20 0 ADADHN OC[C@H](NC/C=C\Cl)C1CC1 307852186 572649768 /nfs/dbraw/zinc/64/97/68/572649768.db2.gz AYHYMEMQVQFTLW-HEZXMNBVSA-N 0 3 175.659 1.099 20 0 ADADHN OC[C@@H](NC/C=C\Cl)C1CC1 307852187 572649971 /nfs/dbraw/zinc/64/99/71/572649971.db2.gz AYHYMEMQVQFTLW-IHDKTBNVSA-N 0 3 175.659 1.099 20 0 ADADHN C[C@@H]1C[C@H]1[C@]1(C)NCCc2nc[nH]c21 306963012 572650439 /nfs/dbraw/zinc/65/04/39/572650439.db2.gz HGGMDCARHRVFIR-XLDPMVHQSA-N 0 3 191.278 1.427 20 0 ADADHN C[C@@H]1C[C@@H]1[C@]1(C)NCCc2nc[nH]c21 306963009 572650533 /nfs/dbraw/zinc/65/05/33/572650533.db2.gz HGGMDCARHRVFIR-FYBVGQRMSA-N 0 3 191.278 1.427 20 0 ADADHN C[C@@H]1C[C@@H]1[C@@]1(C)NCCc2nc[nH]c21 306963011 572652062 /nfs/dbraw/zinc/65/20/62/572652062.db2.gz HGGMDCARHRVFIR-VHSKPIJISA-N 0 3 191.278 1.427 20 0 ADADHN C[C@@H]1C[C@H]1[C@@]1(C)NCCc2nc[nH]c21 306963010 572652075 /nfs/dbraw/zinc/65/20/75/572652075.db2.gz HGGMDCARHRVFIR-SOCHQFKDSA-N 0 3 191.278 1.427 20 0 ADADHN c1csc(NCCN2CCCC2)n1 48322192 572654400 /nfs/dbraw/zinc/65/44/00/572654400.db2.gz WJICAKLGTZNBRT-UHFFFAOYSA-N 0 3 197.307 1.651 20 0 ADADHN CN(C/C=C\Cl)C(C)(C)CO 307862494 572661749 /nfs/dbraw/zinc/66/17/49/572661749.db2.gz CRLWELSLMVZURJ-PLNGDYQASA-N 0 3 177.675 1.442 20 0 ADADHN C=C/C=C\CCNCc1ccn(C)n1 713731454 572664193 /nfs/dbraw/zinc/66/41/93/572664193.db2.gz QFTHOCZUKJQVDD-PLNGDYQASA-N 0 3 191.278 1.642 20 0 ADADHN C[C@H]1C[C@H](C)CN(CCF)C1 306991725 572664982 /nfs/dbraw/zinc/66/49/82/572664982.db2.gz KKWMUOMXJAACCA-IUCAKERBSA-N 0 3 159.248 1.934 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(CCF)C1 306991726 572665143 /nfs/dbraw/zinc/66/51/43/572665143.db2.gz KKWMUOMXJAACCA-RKDXNWHRSA-N 0 3 159.248 1.934 20 0 ADADHN C[C@@H]1CCn2c(nc3c2CCCC3)N1 235290877 572665544 /nfs/dbraw/zinc/66/55/44/572665544.db2.gz CFZXJCCTPSNCOQ-MRVPVSSYSA-N 0 3 191.278 1.966 20 0 ADADHN C=C/C=C/CCNCc1ccn(C)n1 713731455 572666216 /nfs/dbraw/zinc/66/62/16/572666216.db2.gz QFTHOCZUKJQVDD-SNAWJCMRSA-N 0 3 191.278 1.642 20 0 ADADHN OCC[C@H]1CCCCN1CCF 87689925 572681667 /nfs/dbraw/zinc/68/16/67/572681667.db2.gz SOUHHNWTOTXXSS-SECBINFHSA-N 0 3 175.247 1.193 20 0 ADADHN OCC[C@@H]1CCCN(CCF)C1 87689933 572682515 /nfs/dbraw/zinc/68/25/15/572682515.db2.gz KLAPZKMHELGIDZ-VIFPVBQESA-N 0 3 175.247 1.050 20 0 ADADHN CCCCN(CCO)CCF 87689884 572682926 /nfs/dbraw/zinc/68/29/26/572682926.db2.gz OICZVKKZMYGOSK-UHFFFAOYSA-N 0 3 163.236 1.050 20 0 ADADHN OCC[C@@H]1CCCCN1CCF 87689924 572683293 /nfs/dbraw/zinc/68/32/93/572683293.db2.gz SOUHHNWTOTXXSS-VIFPVBQESA-N 0 3 175.247 1.193 20 0 ADADHN OCC[C@H]1CCCN(CCF)C1 87689932 572683333 /nfs/dbraw/zinc/68/33/33/572683333.db2.gz KLAPZKMHELGIDZ-SECBINFHSA-N 0 3 175.247 1.050 20 0 ADADHN CCN(CCF)CC(C)(C)O 87689929 572683575 /nfs/dbraw/zinc/68/35/75/572683575.db2.gz KZOYYLCUKGMGQU-UHFFFAOYSA-N 0 3 163.236 1.049 20 0 ADADHN OC[C@H]1CCCCN1C/C=C/Cl 48743366 572687808 /nfs/dbraw/zinc/68/78/08/572687808.db2.gz WOLIAPKEMDYQDI-HYYFJVDXSA-N 0 3 189.686 1.586 20 0 ADADHN OC[C@@H]1CCCCN1C/C=C/Cl 48743363 572688866 /nfs/dbraw/zinc/68/88/66/572688866.db2.gz WOLIAPKEMDYQDI-SGRBOOSSSA-N 0 3 189.686 1.586 20 0 ADADHN C[C@@H]1COC[C@H]([C@H]2CCCCC2=O)N1 253169423 572691074 /nfs/dbraw/zinc/69/10/74/572691074.db2.gz CPQOVTIDXBMBIJ-OPRDCNLKSA-N 0 3 197.278 1.123 20 0 ADADHN C[C@@H]1SCC[C@@H]1NCc1c[nH]cn1 235308561 572693691 /nfs/dbraw/zinc/69/36/91/572693691.db2.gz DHAYQBCOERTJTE-CBAPKCEASA-N 0 3 197.307 1.393 20 0 ADADHN C[C@@H]1SCC[C@@H]1NCc1cnc[nH]1 235308561 572693697 /nfs/dbraw/zinc/69/36/97/572693697.db2.gz DHAYQBCOERTJTE-CBAPKCEASA-N 0 3 197.307 1.393 20 0 ADADHN CC(C)OC[C@@H](C)NCCF 307872778 572694015 /nfs/dbraw/zinc/69/40/15/572694015.db2.gz MBZZZJFUZLMVKU-MRVPVSSYSA-N 0 3 163.236 1.359 20 0 ADADHN C[C@@H]1COC[C@@H]([C@H]2CCCCC2=O)N1 253169422 572694414 /nfs/dbraw/zinc/69/44/14/572694414.db2.gz CPQOVTIDXBMBIJ-BBBLOLIVSA-N 0 3 197.278 1.123 20 0 ADADHN CC(C)OC[C@H](C)NCCF 307872782 572696162 /nfs/dbraw/zinc/69/61/62/572696162.db2.gz MBZZZJFUZLMVKU-QMMMGPOBSA-N 0 3 163.236 1.359 20 0 ADADHN CCn1cncc1CNC1CC1 85182903 572699698 /nfs/dbraw/zinc/69/96/98/572699698.db2.gz WYDDHGFSLHACEM-UHFFFAOYSA-N 0 3 165.240 1.155 20 0 ADADHN CCn1cncc1CN[C@H](C)COC 85182962 572700956 /nfs/dbraw/zinc/70/09/56/572700956.db2.gz PNFAVXNNXFLTSX-SECBINFHSA-N 0 3 197.282 1.028 20 0 ADADHN O[C@H](CNCCF)c1ccccc1 87774744 572707660 /nfs/dbraw/zinc/70/76/60/572707660.db2.gz MILZAPJXBXFTKU-SNVBAGLBSA-N 0 3 183.226 1.279 20 0 ADADHN CCn1cc([C@H]2C[C@@H](C)CCN2)cn1 70621759 572711019 /nfs/dbraw/zinc/71/10/19/572711019.db2.gz VTXZIRPCGZQJLZ-GXSJLCMTSA-N 0 3 193.294 1.964 20 0 ADADHN Clc1ccc(CNC2CC2)nc1 70624937 572711214 /nfs/dbraw/zinc/71/12/14/572711214.db2.gz WBDZQDZDFQRJDU-UHFFFAOYSA-N 0 3 182.654 1.987 20 0 ADADHN CCn1cc([C@H]2C[C@H](C)CCN2)cn1 70621757 572713695 /nfs/dbraw/zinc/71/36/95/572713695.db2.gz VTXZIRPCGZQJLZ-MWLCHTKSSA-N 0 3 193.294 1.964 20 0 ADADHN CCn1cc([C@@H]2C[C@H](C)CCN2)cn1 70621756 572714083 /nfs/dbraw/zinc/71/40/83/572714083.db2.gz VTXZIRPCGZQJLZ-KOLCDFICSA-N 0 3 193.294 1.964 20 0 ADADHN CCn1cc([C@@H]2C[C@@H](C)CCN2)cn1 70621758 572714287 /nfs/dbraw/zinc/71/42/87/572714287.db2.gz VTXZIRPCGZQJLZ-ONGXEEELSA-N 0 3 193.294 1.964 20 0 ADADHN OCCN(CCF)C1CCCCC1 87777050 572716682 /nfs/dbraw/zinc/71/66/82/572716682.db2.gz YNMGRRGYOMSRFU-UHFFFAOYSA-N 0 3 189.274 1.583 20 0 ADADHN CCCn1cc(CNCC(C)C)nn1 85273609 572717725 /nfs/dbraw/zinc/71/77/25/572717725.db2.gz DMXYLTPSQRXACX-UHFFFAOYSA-N 0 3 196.298 1.434 20 0 ADADHN CCCn1cc(CNC(C)(C)C)nn1 85273543 572719839 /nfs/dbraw/zinc/71/98/39/572719839.db2.gz MMYSRKOENRPCLZ-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CC[C@H]1CCC[C@@H](OC2CNC2)C1 70652057 572721845 /nfs/dbraw/zinc/72/18/45/572721845.db2.gz ZHVPENXKEWPPJS-VHSXEESVSA-N 0 3 183.295 1.944 20 0 ADADHN CC[C@@H]1CCC[C@@H](OC2CNC2)C1 70652056 572721937 /nfs/dbraw/zinc/72/19/37/572721937.db2.gz ZHVPENXKEWPPJS-NXEZZACHSA-N 0 3 183.295 1.944 20 0 ADADHN CC[C@H]1CCC[C@H](OC2CNC2)C1 70652055 572722281 /nfs/dbraw/zinc/72/22/81/572722281.db2.gz ZHVPENXKEWPPJS-UWVGGRQHSA-N 0 3 183.295 1.944 20 0 ADADHN CC1(C)C[C@@H]1NCc1c[nH]cn1 54765289 572722468 /nfs/dbraw/zinc/72/24/68/572722468.db2.gz COLQMNPNOVGNKY-QMMMGPOBSA-N 0 3 165.240 1.298 20 0 ADADHN CC1(C)C[C@@H]1NCc1cnc[nH]1 54765289 572722472 /nfs/dbraw/zinc/72/24/72/572722472.db2.gz COLQMNPNOVGNKY-QMMMGPOBSA-N 0 3 165.240 1.298 20 0 ADADHN CC[C@@H]1CCC[C@H](OC2CNC2)C1 70652054 572723051 /nfs/dbraw/zinc/72/30/51/572723051.db2.gz ZHVPENXKEWPPJS-ZJUUUORDSA-N 0 3 183.295 1.944 20 0 ADADHN c1coc(CCNCc2c[nH]cn2)c1 54764068 572723620 /nfs/dbraw/zinc/72/36/20/572723620.db2.gz MSDLURCUCIEFEK-UHFFFAOYSA-N 0 3 191.234 1.335 20 0 ADADHN c1coc(CCNCc2cnc[nH]2)c1 54764068 572723623 /nfs/dbraw/zinc/72/36/23/572723623.db2.gz MSDLURCUCIEFEK-UHFFFAOYSA-N 0 3 191.234 1.335 20 0 ADADHN CC[C@H](C)NCc1c[nH]cn1 54762874 572724874 /nfs/dbraw/zinc/72/48/74/572724874.db2.gz DZOUQZOCURISOS-ZETCQYMHSA-N 0 3 153.229 1.298 20 0 ADADHN Cc1cc(CN)nc(CC(C)C)n1 54830758 572725473 /nfs/dbraw/zinc/72/54/73/572725473.db2.gz ZUIGODRGWANIGH-UHFFFAOYSA-N 0 3 179.267 1.442 20 0 ADADHN Cc1cc(CN)nc(C2CCCC2)n1 54830739 572727908 /nfs/dbraw/zinc/72/79/08/572727908.db2.gz NUMJUFPHHPRJNZ-UHFFFAOYSA-N 0 3 191.278 1.901 20 0 ADADHN COC(CN(C)CC(C)(C)C)OC 85351199 572728768 /nfs/dbraw/zinc/72/87/68/572728768.db2.gz IMUUSSZMCNYCKH-UHFFFAOYSA-N 0 3 189.299 1.583 20 0 ADADHN CCCCN(C)CC(OC)OC 85350938 572729138 /nfs/dbraw/zinc/72/91/38/572729138.db2.gz PIIFFFCUVCSPFW-UHFFFAOYSA-N 0 3 175.272 1.337 20 0 ADADHN COC(CN(C)CC(C)C)OC 85351016 572729151 /nfs/dbraw/zinc/72/91/51/572729151.db2.gz YTGACRLILHRYOC-UHFFFAOYSA-N 0 3 175.272 1.193 20 0 ADADHN CCN(CC(OC)OC)C1CC1 85350996 572729209 /nfs/dbraw/zinc/72/92/09/572729209.db2.gz UXIRLUJRRSAVQU-UHFFFAOYSA-N 0 3 173.256 1.090 20 0 ADADHN COC(CN(C)CCC(C)C)OC 85351090 572729793 /nfs/dbraw/zinc/72/97/93/572729793.db2.gz PKWQNAACOAEURZ-UHFFFAOYSA-N 0 3 189.299 1.583 20 0 ADADHN CCN(CC(OC)OC)C(C)C 85351000 572730350 /nfs/dbraw/zinc/73/03/50/572730350.db2.gz KGKQPGZAUHGTQP-UHFFFAOYSA-N 0 3 175.272 1.336 20 0 ADADHN CC[C@H](C)N(C)CC(OC)OC 85351020 572730404 /nfs/dbraw/zinc/73/04/04/572730404.db2.gz LEWQTSDWDFEFLJ-QMMMGPOBSA-N 0 3 175.272 1.336 20 0 ADADHN CCCN(CC)CC(OC)OC 85351007 572730822 /nfs/dbraw/zinc/73/08/22/572730822.db2.gz SJWQWFSEFYQLRC-UHFFFAOYSA-N 0 3 175.272 1.337 20 0 ADADHN CC[C@@H](C)N(C)CC(OC)OC 85351019 572730967 /nfs/dbraw/zinc/73/09/67/572730967.db2.gz LEWQTSDWDFEFLJ-MRVPVSSYSA-N 0 3 175.272 1.336 20 0 ADADHN C[C@H]1CCCCN1CCF 307549103 572732698 /nfs/dbraw/zinc/73/26/98/572732698.db2.gz NCIISJVWOOJAFP-QMMMGPOBSA-N 0 3 145.221 1.830 20 0 ADADHN Cc1ccc([C@H](C)NC(=O)CN)s1 49185284 572743596 /nfs/dbraw/zinc/74/35/96/572743596.db2.gz LJJUOCBWKIMCNZ-ZETCQYMHSA-N 0 3 198.291 1.192 20 0 ADADHN CC[C@@H](COC)NC/C=C\Cl 307898246 572744043 /nfs/dbraw/zinc/74/40/43/572744043.db2.gz ONTBYXOUNDZZFH-LGYSABEFSA-N 0 3 177.675 1.754 20 0 ADADHN CC[C@H](COC)NC/C=C\Cl 307898249 572744570 /nfs/dbraw/zinc/74/45/70/572744570.db2.gz ONTBYXOUNDZZFH-PULIVWKDSA-N 0 3 177.675 1.754 20 0 ADADHN Cc1ccc([C@@H](C)NC(=O)CN)s1 49185283 572744979 /nfs/dbraw/zinc/74/49/79/572744979.db2.gz LJJUOCBWKIMCNZ-SSDOTTSWSA-N 0 3 198.291 1.192 20 0 ADADHN CC[C@@H](C)N(CCO)CCF 307902491 572746418 /nfs/dbraw/zinc/74/64/18/572746418.db2.gz OPYSXIZQUBHISB-MRVPVSSYSA-N 0 3 163.236 1.049 20 0 ADADHN CC[C@H](C)N(CCO)CCF 307902492 572746994 /nfs/dbraw/zinc/74/69/94/572746994.db2.gz OPYSXIZQUBHISB-QMMMGPOBSA-N 0 3 163.236 1.049 20 0 ADADHN CC[C@H](C)C(=O)[C@@H](N)C1CC1 307649303 572755098 /nfs/dbraw/zinc/75/50/98/572755098.db2.gz GDBXVDDWTGXOTO-XPUUQOCRSA-N 0 3 155.241 1.339 20 0 ADADHN C=CC=CCCNCc1nc(C)c[nH]1 713491184 572755290 /nfs/dbraw/zinc/75/52/90/572755290.db2.gz OCRRXUJIWJMVPD-SNAWJCMRSA-N 0 3 191.278 1.940 20 0 ADADHN CCCC(=O)[C@H](N)C1CCC1 307649003 572756154 /nfs/dbraw/zinc/75/61/54/572756154.db2.gz FNADJNSFRVSQGK-SECBINFHSA-N 0 3 155.241 1.483 20 0 ADADHN CCCC(=O)[C@@H](N)C1CCC1 307649005 572757213 /nfs/dbraw/zinc/75/72/13/572757213.db2.gz FNADJNSFRVSQGK-VIFPVBQESA-N 0 3 155.241 1.483 20 0 ADADHN CC[C@H](C)C(=O)[C@H](N)C1CC1 307649299 572757709 /nfs/dbraw/zinc/75/77/09/572757709.db2.gz GDBXVDDWTGXOTO-POYBYMJQSA-N 0 3 155.241 1.339 20 0 ADADHN CC[C@@H](C)C(=O)[C@@H](N)C1CC1 307649301 572757818 /nfs/dbraw/zinc/75/78/18/572757818.db2.gz GDBXVDDWTGXOTO-SVRRBLITSA-N 0 3 155.241 1.339 20 0 ADADHN C[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1C[C@H]1N 257361586 572762265 /nfs/dbraw/zinc/76/22/65/572762265.db2.gz MXQPFRUEWPLBOB-QCLAVDOMSA-N 0 3 196.294 1.123 20 0 ADADHN CNCC(=O)CC1(C)CCC1 307759207 572777186 /nfs/dbraw/zinc/77/71/86/572777186.db2.gz QUDUNXOXKPKCMN-UHFFFAOYSA-N 0 3 155.241 1.355 20 0 ADADHN OC1(CNC/C=C/Cl)CCCC1 236487287 572785673 /nfs/dbraw/zinc/78/56/73/572785673.db2.gz OKEWUHIPWOBOHB-ZZXKWVIFSA-N 0 3 189.686 1.634 20 0 ADADHN OCC1(NC/C=C\Cl)CCCC1 307935279 572792954 /nfs/dbraw/zinc/79/29/54/572792954.db2.gz DQNWYDROCNKTMW-UTCJRWHESA-N 0 3 189.686 1.634 20 0 ADADHN CCOC1CC(NC/C=C\Cl)C1 307935505 572794499 /nfs/dbraw/zinc/79/44/99/572794499.db2.gz HWZTWVCCABCRII-ARJAWSKDSA-N 0 3 189.686 1.896 20 0 ADADHN C[C@H]1CCCc2nc(CN)cn21 49804842 572808743 /nfs/dbraw/zinc/80/87/43/572808743.db2.gz KNIYNJLKNOPEKG-ZETCQYMHSA-N 0 3 165.240 1.239 20 0 ADADHN C[C@@H]1CCCc2nc(CN)cn21 49804841 572810402 /nfs/dbraw/zinc/81/04/02/572810402.db2.gz KNIYNJLKNOPEKG-SSDOTTSWSA-N 0 3 165.240 1.239 20 0 ADADHN C[C@H](NC/C=C\Cl)[C@@H]1CCCO1 307945945 572816226 /nfs/dbraw/zinc/81/62/26/572816226.db2.gz ILNGUSCMMFXFMH-ATBIPZOJSA-N 0 3 189.686 1.896 20 0 ADADHN C[C@H](NC/C=C\Cl)[C@H]1CCCO1 307945947 572817078 /nfs/dbraw/zinc/81/70/78/572817078.db2.gz ILNGUSCMMFXFMH-LPMXFETPSA-N 0 3 189.686 1.896 20 0 ADADHN Cc1n[nH]c(C)c1CNC1CSC1 75124179 572819592 /nfs/dbraw/zinc/81/95/92/572819592.db2.gz IRUPSMSXNAEFQE-UHFFFAOYSA-N 0 3 197.307 1.232 20 0 ADADHN CC(C)[C@]1(CO)CCN(CCF)C1 308144256 572821165 /nfs/dbraw/zinc/82/11/65/572821165.db2.gz KQSUSEKRVOUXKB-SNVBAGLBSA-N 0 3 189.274 1.296 20 0 ADADHN CC(C)[C@@]1(CO)CCN(CCF)C1 308144253 572821712 /nfs/dbraw/zinc/82/17/12/572821712.db2.gz KQSUSEKRVOUXKB-JTQLQIEISA-N 0 3 189.274 1.296 20 0 ADADHN CC(C)(C)CN(CCO)CCF 307949782 572827045 /nfs/dbraw/zinc/82/70/45/572827045.db2.gz MYEDEAKCHYQUHM-UHFFFAOYSA-N 0 3 177.263 1.296 20 0 ADADHN C[C@H]([NH3+])c1ccc([O-])c2ncccc12 71453876 572822919 /nfs/dbraw/zinc/82/29/19/572822919.db2.gz MVVXTOPFBHWKSI-ZETCQYMHSA-N 0 3 188.230 1.960 20 0 ADADHN CO[C@@H]1CCC[C@H]1NC/C=C\Cl 307948345 572823461 /nfs/dbraw/zinc/82/34/61/572823461.db2.gz PAOTVHAKBWXNCH-UCOPNCLCSA-N 0 3 189.686 1.896 20 0 ADADHN CC1(C)[C@H](O)C[C@H]1NC/C=C\Cl 307949492 572824799 /nfs/dbraw/zinc/82/47/99/572824799.db2.gz QMUGWZJNOVPKSG-PYWFFMSPSA-N 0 3 189.686 1.488 20 0 ADADHN C[C@@H](N)c1cn(CCCCF)nn1 308141234 572824981 /nfs/dbraw/zinc/82/49/81/572824981.db2.gz LIEPDNLQJFVSBQ-SSDOTTSWSA-N 0 3 186.234 1.048 20 0 ADADHN C[C@H]1Cc2ccc(O)cc2CN1 71485107 572827780 /nfs/dbraw/zinc/82/77/80/572827780.db2.gz LVVIONBMFKBTFR-ZETCQYMHSA-N 0 3 163.220 1.426 20 0 ADADHN C[C@H](N)c1cn(CCCCF)nn1 308141235 572825713 /nfs/dbraw/zinc/82/57/13/572825713.db2.gz LIEPDNLQJFVSBQ-ZETCQYMHSA-N 0 3 186.234 1.048 20 0 ADADHN OC[C@H]1CCCN(C/C=C/Cl)C1 49934120 572826762 /nfs/dbraw/zinc/82/67/62/572826762.db2.gz MDNGMKYRMGGLIS-LXOKAJLYSA-N 0 3 189.686 1.443 20 0 ADADHN OC[C@@H]1CCCN(C/C=C/Cl)C1 49934121 572828851 /nfs/dbraw/zinc/82/88/51/572828851.db2.gz MDNGMKYRMGGLIS-HDMKULJXSA-N 0 3 189.686 1.443 20 0 ADADHN C[C@@H]1Cc2ccc(O)cc2CN1 71485106 572828968 /nfs/dbraw/zinc/82/89/68/572828968.db2.gz LVVIONBMFKBTFR-SSDOTTSWSA-N 0 3 163.220 1.426 20 0 ADADHN COC(=O)[C@@H](C)N1CCCCCCC1 49956495 572831205 /nfs/dbraw/zinc/83/12/05/572831205.db2.gz VQCLDGBCXWACRM-SNVBAGLBSA-N 0 3 199.294 1.814 20 0 ADADHN COC[C@H]1CCN(C/C=C/Cl)C1 308142684 572831989 /nfs/dbraw/zinc/83/19/89/572831989.db2.gz IEOUSWSWMXRYAK-LXOKAJLYSA-N 0 3 189.686 1.707 20 0 ADADHN COC[C@@H]1CCN(C/C=C/Cl)C1 308142680 572832782 /nfs/dbraw/zinc/83/27/82/572832782.db2.gz IEOUSWSWMXRYAK-HDMKULJXSA-N 0 3 189.686 1.707 20 0 ADADHN COC[C@@H]1CCN(C/C=C\Cl)C1 308142675 572832865 /nfs/dbraw/zinc/83/28/65/572832865.db2.gz IEOUSWSWMXRYAK-FIFYQCSRSA-N 0 3 189.686 1.707 20 0 ADADHN COC[C@@H](NC/C=C\Cl)C(C)C 307954668 572843747 /nfs/dbraw/zinc/84/37/47/572843747.db2.gz ZRBVCITZLHQALV-XRVBUDJMSA-N 0 3 191.702 2.000 20 0 ADADHN CCCN(CC)Cc1c[nH]cn1 307958864 572847604 /nfs/dbraw/zinc/84/76/04/572847604.db2.gz UJEINFAFMGHRIU-UHFFFAOYSA-N 0 3 167.256 1.642 20 0 ADADHN CCCN(CC)Cc1cnc[nH]1 307958864 572847609 /nfs/dbraw/zinc/84/76/09/572847609.db2.gz UJEINFAFMGHRIU-UHFFFAOYSA-N 0 3 167.256 1.642 20 0 ADADHN CC(C)C(=O)CCN1CC=CCC1 308145944 572854763 /nfs/dbraw/zinc/85/47/63/572854763.db2.gz LQEDNLQOCVVCMJ-UHFFFAOYSA-N 0 3 181.279 1.864 20 0 ADADHN OC[C@H]1CCCN1C/C=C/Cl 50113525 572857401 /nfs/dbraw/zinc/85/74/01/572857401.db2.gz QRTQEYLEKVUCOT-BYDTYLDUSA-N 0 3 175.659 1.196 20 0 ADADHN C[C@@H]1SCC[C@H]1NCc1cnc[nH]1 235372956 572865585 /nfs/dbraw/zinc/86/55/85/572865585.db2.gz DHAYQBCOERTJTE-IONNQARKSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@@H]1SCC[C@H]1NCc1c[nH]cn1 235372956 572865582 /nfs/dbraw/zinc/86/55/82/572865582.db2.gz DHAYQBCOERTJTE-IONNQARKSA-N 0 3 197.307 1.393 20 0 ADADHN CC[C@H](CO)NCc1cccc(C)n1 86136218 572877326 /nfs/dbraw/zinc/87/73/26/572877326.db2.gz IUEKULQSINZDLR-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@@H](CO)NCc1cccc(C)n1 86136217 572879366 /nfs/dbraw/zinc/87/93/66/572879366.db2.gz IUEKULQSINZDLR-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN CCOC[C@H]1CCN(CCF)C1 308160330 572881165 /nfs/dbraw/zinc/88/11/65/572881165.db2.gz QZLSMUCIOAFQCL-VIFPVBQESA-N 0 3 175.247 1.314 20 0 ADADHN CCOC[C@@H]1CCN(CCF)C1 308160323 572881745 /nfs/dbraw/zinc/88/17/45/572881745.db2.gz QZLSMUCIOAFQCL-SECBINFHSA-N 0 3 175.247 1.314 20 0 ADADHN CC[C@]1(NC/C=C/Cl)CCOC1 307972047 572882147 /nfs/dbraw/zinc/88/21/47/572882147.db2.gz HVAMAUXUTYSHEW-SGRBOOSSSA-N 0 3 189.686 1.898 20 0 ADADHN CC[C@@]1(NC/C=C\Cl)CCOC1 307972044 572882285 /nfs/dbraw/zinc/88/22/85/572882285.db2.gz HVAMAUXUTYSHEW-AZVKUDOFSA-N 0 3 189.686 1.898 20 0 ADADHN CC[C@]1(NC/C=C\Cl)CCOC1 307972046 572882805 /nfs/dbraw/zinc/88/28/05/572882805.db2.gz HVAMAUXUTYSHEW-LVCFMKKZSA-N 0 3 189.686 1.898 20 0 ADADHN CC[C@@]1(NC/C=C/Cl)CCOC1 307972045 572883377 /nfs/dbraw/zinc/88/33/77/572883377.db2.gz HVAMAUXUTYSHEW-HYYFJVDXSA-N 0 3 189.686 1.898 20 0 ADADHN CC[C@@H](C)NC(=O)[C@@H](N)CC1CC1 308172057 572891827 /nfs/dbraw/zinc/89/18/27/572891827.db2.gz CQZVHRRTOQSKSG-APPZFPTMSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1cc(CNCCCF)[nH]n1 308171193 572892261 /nfs/dbraw/zinc/89/22/61/572892261.db2.gz WSZLIXXUUHGLAI-UHFFFAOYSA-N 0 3 171.219 1.167 20 0 ADADHN Cc1cc(CNCCCF)n[nH]1 308171193 572892264 /nfs/dbraw/zinc/89/22/64/572892264.db2.gz WSZLIXXUUHGLAI-UHFFFAOYSA-N 0 3 171.219 1.167 20 0 ADADHN CC[C@H](C)NC(=O)[C@@H](N)CC1CC1 308172059 572892284 /nfs/dbraw/zinc/89/22/84/572892284.db2.gz CQZVHRRTOQSKSG-CBAPKCEASA-N 0 3 184.283 1.029 20 0 ADADHN CN(C/C=C/Cl)C[C@@H]1CCOC1 307973364 572893314 /nfs/dbraw/zinc/89/33/14/572893314.db2.gz IPTXVPZANIPOIY-LXOKAJLYSA-N 0 3 189.686 1.707 20 0 ADADHN CCNCc1cnc([C@H](C)O)s1 307973797 572893617 /nfs/dbraw/zinc/89/36/17/572893617.db2.gz JEQUUONYPSYDAL-LURJTMIESA-N 0 3 186.280 1.306 20 0 ADADHN CSCCNCc1cc(C)[nH]n1 308171821 572893724 /nfs/dbraw/zinc/89/37/24/572893724.db2.gz WZGLTWCZSFYMHS-UHFFFAOYSA-N 0 3 185.296 1.171 20 0 ADADHN CSCCNCc1cc(C)n[nH]1 308171821 572893725 /nfs/dbraw/zinc/89/37/25/572893725.db2.gz WZGLTWCZSFYMHS-UHFFFAOYSA-N 0 3 185.296 1.171 20 0 ADADHN CCNCc1cnc([C@@H](C)O)s1 307973798 572894345 /nfs/dbraw/zinc/89/43/45/572894345.db2.gz JEQUUONYPSYDAL-ZCFIWIBFSA-N 0 3 186.280 1.306 20 0 ADADHN CN(C/C=C\Cl)C[C@@H]1CCOC1 307973365 572895431 /nfs/dbraw/zinc/89/54/31/572895431.db2.gz IPTXVPZANIPOIY-MDHMXLOGSA-N 0 3 189.686 1.707 20 0 ADADHN CN(C/C=C\Cl)C[C@H]1CCOC1 307973362 572894699 /nfs/dbraw/zinc/89/46/99/572894699.db2.gz IPTXVPZANIPOIY-FIFYQCSRSA-N 0 3 189.686 1.707 20 0 ADADHN CN(C/C=C/Cl)C[C@H]1CCOC1 307973363 572894810 /nfs/dbraw/zinc/89/48/10/572894810.db2.gz IPTXVPZANIPOIY-HDMKULJXSA-N 0 3 189.686 1.707 20 0 ADADHN CCNCC(=O)NC1C(C)(C)C1(C)C 86240624 572899690 /nfs/dbraw/zinc/89/96/90/572899690.db2.gz JAEMWVCXHBAFLF-UHFFFAOYSA-N 0 3 198.310 1.147 20 0 ADADHN CCN(C/C=C/Cl)CC(C)(C)O 86274850 572902721 /nfs/dbraw/zinc/90/27/21/572902721.db2.gz QZNKOJWCACPODV-AATRIKPKSA-N 0 3 191.702 1.832 20 0 ADADHN CC[C@@H](C)CN1CCOCC1 196705621 572920797 /nfs/dbraw/zinc/92/07/97/572920797.db2.gz ZWVGWAOXRABPPK-SECBINFHSA-N 0 3 157.257 1.365 20 0 ADADHN COC[C@H]1CCCN1C/C=C/Cl 308200509 572928820 /nfs/dbraw/zinc/92/88/20/572928820.db2.gz XVLYLYOFHXZILK-HYYFJVDXSA-N 0 3 189.686 1.850 20 0 ADADHN COC[C@H]1CCCN1C/C=C\Cl 308200508 572928906 /nfs/dbraw/zinc/92/89/06/572928906.db2.gz XVLYLYOFHXZILK-AZVKUDOFSA-N 0 3 189.686 1.850 20 0 ADADHN COC[C@@H]1CCCN1C/C=C/Cl 308200511 572929575 /nfs/dbraw/zinc/92/95/75/572929575.db2.gz XVLYLYOFHXZILK-SGRBOOSSSA-N 0 3 189.686 1.850 20 0 ADADHN COC[C@@H]1CCCN1C/C=C\Cl 308200510 572930030 /nfs/dbraw/zinc/93/00/30/572930030.db2.gz XVLYLYOFHXZILK-LVCFMKKZSA-N 0 3 189.686 1.850 20 0 ADADHN Cc1ccc(CNCCCF)cn1 88024912 572930428 /nfs/dbraw/zinc/93/04/28/572930428.db2.gz UYARGBAQAVBWCY-UHFFFAOYSA-N 0 3 182.242 1.839 20 0 ADADHN Cc1cccnc1CNCCCF 88024940 572931109 /nfs/dbraw/zinc/93/11/09/572931109.db2.gz CVTSOBWRBBONIN-UHFFFAOYSA-N 0 3 182.242 1.839 20 0 ADADHN Cc1csc(CNCCCF)n1 88024610 572934493 /nfs/dbraw/zinc/93/44/93/572934493.db2.gz RVDGOZUNZUCJAJ-UHFFFAOYSA-N 0 3 188.271 1.901 20 0 ADADHN Cc1ncc(CNCCCF)s1 88024642 572935283 /nfs/dbraw/zinc/93/52/83/572935283.db2.gz GKQMYVNAWRCFCT-UHFFFAOYSA-N 0 3 188.271 1.901 20 0 ADADHN C/C=C(\CC)C(=O)NCCN(C)C 308197155 572939633 /nfs/dbraw/zinc/93/96/33/572939633.db2.gz RUXQPEQCDWOYEO-WEVVVXLNSA-N 0 3 184.283 1.021 20 0 ADADHN C/C=C(/CC)C(=O)NCCN(C)C 308197154 572940169 /nfs/dbraw/zinc/94/01/69/572940169.db2.gz RUXQPEQCDWOYEO-UITAMQMPSA-N 0 3 184.283 1.021 20 0 ADADHN COc1ncc(CNC2(C)CC2)s1 308209058 572941576 /nfs/dbraw/zinc/94/15/76/572941576.db2.gz VLJNEIBDWPRLDO-UHFFFAOYSA-N 0 3 198.291 1.794 20 0 ADADHN C/C=C/C(=O)NCCN1CCCCC1 88046544 572943039 /nfs/dbraw/zinc/94/30/39/572943039.db2.gz MEZYUVBGTPKZGW-QHHAFSJGSA-N 0 3 196.294 1.165 20 0 ADADHN C/C=C/C(=O)N[C@H](CN(C)C)C(C)C 88046541 572943991 /nfs/dbraw/zinc/94/39/91/572943991.db2.gz UQCPFBOPHZPZCD-VQCYPWCPSA-N 0 3 198.310 1.265 20 0 ADADHN C/C=C/C(=O)N[C@@H](CN(C)C)C(C)C 88046540 572944710 /nfs/dbraw/zinc/94/47/10/572944710.db2.gz UQCPFBOPHZPZCD-FGEFZZPRSA-N 0 3 198.310 1.265 20 0 ADADHN CCCCCCNC(=O)C1(N)CCC1 88050424 572945120 /nfs/dbraw/zinc/94/51/20/572945120.db2.gz MYEXINLDLKQQSC-UHFFFAOYSA-N 0 3 198.310 1.564 20 0 ADADHN CCC(CC)NCc1cnn(C)n1 308214885 572948789 /nfs/dbraw/zinc/94/87/89/572948789.db2.gz YXRREPMPEMOSFZ-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN CC(C)CCNC(=O)[C@@H](N)CC1CC1 238158222 572957860 /nfs/dbraw/zinc/95/78/60/572957860.db2.gz PJMZFAHXKOHHFR-JTQLQIEISA-N 0 3 198.310 1.276 20 0 ADADHN CCCC(=O)Nc1ccccc1CN 59108277 572967235 /nfs/dbraw/zinc/96/72/35/572967235.db2.gz HSTSLKTUSLTBIO-UHFFFAOYSA-N 0 3 192.262 1.884 20 0 ADADHN CCN(Cc1cnc(N)s1)C(C)C 86765706 572979390 /nfs/dbraw/zinc/97/93/90/572979390.db2.gz SGEPJOPIEONGBW-UHFFFAOYSA-N 0 3 199.323 1.956 20 0 ADADHN CCCNCc1ccc(OC)cn1 86791159 572980173 /nfs/dbraw/zinc/98/01/73/572980173.db2.gz UXGJGZOZFFUBEQ-UHFFFAOYSA-N 0 3 180.251 1.590 20 0 ADADHN COc1ccc(CNC(C)C)nc1 86791262 572980927 /nfs/dbraw/zinc/98/09/27/572980927.db2.gz LLGJEGRXEZACMV-UHFFFAOYSA-N 0 3 180.251 1.588 20 0 ADADHN COc1ccc(CNC(C)(C)C)nc1 86791716 572981322 /nfs/dbraw/zinc/98/13/22/572981322.db2.gz DURJRVBUGQIQBG-UHFFFAOYSA-N 0 3 194.278 1.978 20 0 ADADHN COc1ccc(CNCC(C)C)nc1 86791951 572981452 /nfs/dbraw/zinc/98/14/52/572981452.db2.gz XCIPMOHRYNWSPV-UHFFFAOYSA-N 0 3 194.278 1.836 20 0 ADADHN C[C@@H]1CCN(C/C=C/Cl)[C@H]1CO 299914424 572982969 /nfs/dbraw/zinc/98/29/69/572982969.db2.gz SGIYMRPCBXIGPM-DTBGECHCSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@@H]1[C@H](O)CCN1C/C=C\Cl 686252109 572996480 /nfs/dbraw/zinc/99/64/80/572996480.db2.gz PHBADOFJNDKIQL-CVIXOHNVSA-N 0 3 175.659 1.194 20 0 ADADHN C[C@@H]1[C@H](O)CCN1C/C=C/Cl 686252119 572996635 /nfs/dbraw/zinc/99/66/35/572996635.db2.gz PHBADOFJNDKIQL-WGAMGKKUSA-N 0 3 175.659 1.194 20 0 ADADHN CC[C@@H](N)c1ncccc1OC 104524486 572996948 /nfs/dbraw/zinc/99/69/48/572996948.db2.gz WGDNOWFNQNOVSB-SSDOTTSWSA-N 0 3 166.224 1.500 20 0 ADADHN CC1CCC(OC2CNC2)CC1 82373115 573009613 /nfs/dbraw/zinc/00/96/13/573009613.db2.gz BKPFOOCBOVRFDR-UHFFFAOYSA-N 0 3 169.268 1.554 20 0 ADADHN CC(C)=C(C)C(=O)NCCN(C)C 224371273 573011222 /nfs/dbraw/zinc/01/12/22/573011222.db2.gz KGLWYGDBBAGCPI-UHFFFAOYSA-N 0 3 184.283 1.021 20 0 ADADHN CC[C@H]1CCCC[C@H]1OC1CNC1 82373127 573011784 /nfs/dbraw/zinc/01/17/84/573011784.db2.gz UFKGLCGNUKPJDS-GXSJLCMTSA-N 0 3 183.295 1.944 20 0 ADADHN CCCCCNC(=O)C1(NC)CCC1 308475113 573011962 /nfs/dbraw/zinc/01/19/62/573011962.db2.gz JEVJNHKYVQTOEL-UHFFFAOYSA-N 0 3 198.310 1.435 20 0 ADADHN CC[C@H]1CCCC[C@@H]1OC1CNC1 82373123 573012163 /nfs/dbraw/zinc/01/21/63/573012163.db2.gz UFKGLCGNUKPJDS-ONGXEEELSA-N 0 3 183.295 1.944 20 0 ADADHN CC[C@@H]1CCCC[C@@H]1OC1CNC1 82373118 573012306 /nfs/dbraw/zinc/01/23/06/573012306.db2.gz UFKGLCGNUKPJDS-KOLCDFICSA-N 0 3 183.295 1.944 20 0 ADADHN CC[C@@H]1CCCC[C@H]1OC1CNC1 82373125 573013286 /nfs/dbraw/zinc/01/32/86/573013286.db2.gz UFKGLCGNUKPJDS-MWLCHTKSSA-N 0 3 183.295 1.944 20 0 ADADHN Cn1ncc(CNCC2CCCC2)n1 308475810 573014868 /nfs/dbraw/zinc/01/48/68/573014868.db2.gz JKRIAUYVQODDRH-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN C/C=C/C(=O)NC[C@H]1CCCN1CC 82389986 573016006 /nfs/dbraw/zinc/01/60/06/573016006.db2.gz POICJVHWOTWHLL-QLCVYAKKSA-N 0 3 196.294 1.163 20 0 ADADHN CC[C@H](N)c1cc(F)ccc1N 104576198 573023976 /nfs/dbraw/zinc/02/39/76/573023976.db2.gz IWKHCLIXVYUVOY-QMMMGPOBSA-N 0 3 168.215 1.818 20 0 ADADHN CCC(CC)NC(=O)[C@H](N)CC1CC1 308477716 573024279 /nfs/dbraw/zinc/02/42/79/573024279.db2.gz LSHJHAQVTLCOOG-SNVBAGLBSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](N)c1cc(F)ccc1N 104576202 573025306 /nfs/dbraw/zinc/02/53/06/573025306.db2.gz IWKHCLIXVYUVOY-MRVPVSSYSA-N 0 3 168.215 1.818 20 0 ADADHN N[C@@H](CC1CC1)C(=O)NCC1CCC1 308478857 573027859 /nfs/dbraw/zinc/02/78/59/573027859.db2.gz LXYWBDYFRVNREI-JTQLQIEISA-N 0 3 196.294 1.030 20 0 ADADHN c1cc2c(s1)CNC2 82411443 573029671 /nfs/dbraw/zinc/02/96/71/573029671.db2.gz ILIZNFIPIKPITN-UHFFFAOYSA-N 0 3 125.196 1.351 20 0 in-vitro ADADHN CC(C)[C@H](N)c1cscn1 82406230 573033187 /nfs/dbraw/zinc/03/31/87/573033187.db2.gz MZYSRMUFWGDMPV-ZETCQYMHSA-N 0 3 156.254 1.799 20 0 ADADHN CCN(CC)CCOC(=O)C1CC1 308235393 573034248 /nfs/dbraw/zinc/03/42/48/573034248.db2.gz QSNWMDKRZOMKMA-UHFFFAOYSA-N 0 3 185.267 1.281 20 0 ADADHN CCCOC(=O)N[C@@H](C)CN(C)C 308235161 573034915 /nfs/dbraw/zinc/03/49/15/573034915.db2.gz VRRINHAJLLHKMU-QMMMGPOBSA-N 0 3 188.271 1.073 20 0 ADADHN c1nc(CNC2CCSCC2)c[nH]1 82432950 573037668 /nfs/dbraw/zinc/03/76/68/573037668.db2.gz TVPVCZHEQALOHC-UHFFFAOYSA-N 0 3 197.307 1.395 20 0 ADADHN C[C@H](CCO)NC/C=C/Cl 235449109 573041665 /nfs/dbraw/zinc/04/16/65/573041665.db2.gz LMTVGBYPCLCTQP-NUOXCJHRSA-N 0 3 163.648 1.099 20 0 ADADHN CCCCCN(CC)CC(=O)NC 308248108 573048515 /nfs/dbraw/zinc/04/85/15/573048515.db2.gz YUXSFADYPSBSQM-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CCN(C)C(=O)CN(CC)C(C)C 308248723 573052287 /nfs/dbraw/zinc/05/22/87/573052287.db2.gz ZYKOWFDJXDIMFN-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN C/C=C/C(=O)N[C@@H]1CCN(C)[C@H](C)C1 88055810 573057337 /nfs/dbraw/zinc/05/73/37/573057337.db2.gz KKDPECBPNPQLRA-NUNSBDKSSA-N 0 3 196.294 1.161 20 0 ADADHN CC[C@@H](N)c1cc(F)cnc1OC 238274465 573059637 /nfs/dbraw/zinc/05/96/37/573059637.db2.gz NBQUAPHXAMINTL-MRVPVSSYSA-N 0 3 184.214 1.639 20 0 ADADHN CC(C)[C@H](NCCO)c1ccccn1 308492399 573062289 /nfs/dbraw/zinc/06/22/89/573062289.db2.gz CCNCKLVOZSROGZ-NSHDSACASA-N 0 3 194.278 1.361 20 0 ADADHN CC(C)[C@@H](NCCO)c1ccccn1 308492397 573062523 /nfs/dbraw/zinc/06/25/23/573062523.db2.gz CCNCKLVOZSROGZ-LLVKDONJSA-N 0 3 194.278 1.361 20 0 ADADHN CCc1cc(CNCC2(C)CC2)[nH]n1 308488485 573066826 /nfs/dbraw/zinc/06/68/26/573066826.db2.gz AVFFTPBIGGQATM-UHFFFAOYSA-N 0 3 193.294 1.862 20 0 ADADHN CCNCC(=O)Nc1ccsc1 85535152 573067160 /nfs/dbraw/zinc/06/71/60/573067160.db2.gz RKWXFPWNLPXIFE-UHFFFAOYSA-N 0 3 184.264 1.296 20 0 ADADHN CCN(C(=O)[C@@H](N)CC1CC1)C(C)C 308494403 573068394 /nfs/dbraw/zinc/06/83/94/573068394.db2.gz SGIQTOLYNNMXMM-JTQLQIEISA-N 0 3 198.310 1.371 20 0 ADADHN Cc1ccc(CN[C@@H](CO)C2CC2)o1 393656600 573068422 /nfs/dbraw/zinc/06/84/22/573068422.db2.gz IXIZMKCPCCSLPG-NSHDSACASA-N 0 3 195.262 1.449 20 0 ADADHN CCCCN(C)CCNC(=O)OC 308246872 573068767 /nfs/dbraw/zinc/06/87/67/573068767.db2.gz WSBBTOVBSIRDML-UHFFFAOYSA-N 0 3 188.271 1.074 20 0 ADADHN Cc1ccc(CN[C@H](CO)C2CC2)o1 393656598 573068802 /nfs/dbraw/zinc/06/88/02/573068802.db2.gz IXIZMKCPCCSLPG-LLVKDONJSA-N 0 3 195.262 1.449 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](N)CC1CC1 308490008 573072611 /nfs/dbraw/zinc/07/26/11/573072611.db2.gz QHJKQUKISLQWOC-KXUCPTDWSA-N 0 3 196.294 1.029 20 0 ADADHN NC1(c2cccc(F)c2)CC(O)C1 224888416 573075154 /nfs/dbraw/zinc/07/51/54/573075154.db2.gz SNMUJTKGJNKYNC-UHFFFAOYSA-N 0 3 181.210 1.134 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@H](N)CC1CC1 308490010 573076008 /nfs/dbraw/zinc/07/60/08/573076008.db2.gz QHJKQUKISLQWOC-OPRDCNLKSA-N 0 3 196.294 1.029 20 0 ADADHN CC(C)CN(C)C(=O)[C@H](N)CC1CC1 308491681 573076327 /nfs/dbraw/zinc/07/63/27/573076327.db2.gz RBWLAQOFOTUGSM-SNVBAGLBSA-N 0 3 198.310 1.228 20 0 ADADHN N[C@@H](CC1CC1)C(=O)NCCC1CC1 308490742 573077278 /nfs/dbraw/zinc/07/72/78/573077278.db2.gz QORSSKYHTYGVQT-JTQLQIEISA-N 0 3 196.294 1.030 20 0 ADADHN C[C@H](NCCC1CC1)c1ncc[nH]1 308251794 573077430 /nfs/dbraw/zinc/07/74/30/573077430.db2.gz HUPACZCJLMZTRP-QMMMGPOBSA-N 0 3 179.267 1.860 20 0 ADADHN N[C@@H](CC1CC1)C(=O)NC1CCCC1 308491192 573077732 /nfs/dbraw/zinc/07/77/32/573077732.db2.gz QUGUKSOMUVCUAR-JTQLQIEISA-N 0 3 196.294 1.173 20 0 ADADHN CN(C(=O)[C@@H](N)CC1CC1)C1CCC1 308491212 573079289 /nfs/dbraw/zinc/07/92/89/573079289.db2.gz QVQADHNZOAKVBY-JTQLQIEISA-N 0 3 196.294 1.125 20 0 ADADHN CN(CCF)C1CCC(CO)CC1 308251208 573080588 /nfs/dbraw/zinc/08/05/88/573080588.db2.gz FOMAVNBNRAQTJZ-UHFFFAOYSA-N 0 3 189.274 1.439 20 0 ADADHN C[C@H]1CCNC(C)(C)O1 104621963 573082198 /nfs/dbraw/zinc/08/21/98/573082198.db2.gz PMEWEVHJCZGCHJ-LURJTMIESA-N 0 3 129.203 1.121 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1ccc[nH]1 308252614 573082422 /nfs/dbraw/zinc/08/24/22/573082422.db2.gz GPKXRTHRQVZLHD-RKDXNWHRSA-N 0 3 182.267 1.700 20 0 ADADHN C[C@@H]1CCNC(C)(C)O1 104621960 573083134 /nfs/dbraw/zinc/08/31/34/573083134.db2.gz PMEWEVHJCZGCHJ-ZCFIWIBFSA-N 0 3 129.203 1.121 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1ccc[nH]1 308252613 573083347 /nfs/dbraw/zinc/08/33/47/573083347.db2.gz GPKXRTHRQVZLHD-IUCAKERBSA-N 0 3 182.267 1.700 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1ccc[nH]1 308252611 573084850 /nfs/dbraw/zinc/08/48/50/573084850.db2.gz GPKXRTHRQVZLHD-BDAKNGLRSA-N 0 3 182.267 1.700 20 0 ADADHN COC[C@H](C)N[C@H](C)c1ccc[nH]1 308252612 573085381 /nfs/dbraw/zinc/08/53/81/573085381.db2.gz GPKXRTHRQVZLHD-DTWKUNHWSA-N 0 3 182.267 1.700 20 0 ADADHN CN(CCF)C[C@@H]1CCCC[C@@H]1O 308259651 573089607 /nfs/dbraw/zinc/08/96/07/573089607.db2.gz LTBJUAJRDRPCMB-UWVGGRQHSA-N 0 3 189.274 1.439 20 0 ADADHN CN(CCF)C[C@H]1CCCC[C@H]1O 308259649 573089630 /nfs/dbraw/zinc/08/96/30/573089630.db2.gz LTBJUAJRDRPCMB-NXEZZACHSA-N 0 3 189.274 1.439 20 0 ADADHN COC[C@H]1CCCCN(CCF)C1 308258358 573092032 /nfs/dbraw/zinc/09/20/32/573092032.db2.gz LAQVKJNPRRTWJU-JTQLQIEISA-N 0 3 189.274 1.704 20 0 ADADHN CC[C@H](C)[C@H](NCC=C(C)C)C(N)=O 308501316 573095957 /nfs/dbraw/zinc/09/59/57/573095957.db2.gz GTABNBCWOGZHSY-UWVGGRQHSA-N 0 3 198.310 1.442 20 0 ADADHN CCC[C@]1(CO)CCCN1CCF 308502058 573098227 /nfs/dbraw/zinc/09/82/27/573098227.db2.gz XKIXEKYHARFCGS-SNVBAGLBSA-N 0 3 189.274 1.583 20 0 ADADHN CCC[C@@]1(CO)CCCN1CCF 308502056 573100389 /nfs/dbraw/zinc/10/03/89/573100389.db2.gz XKIXEKYHARFCGS-JTQLQIEISA-N 0 3 189.274 1.583 20 0 ADADHN C[C@@H](NCCF)c1cc[nH]c(=O)c1 308257491 573101194 /nfs/dbraw/zinc/10/11/94/573101194.db2.gz LOTCIXASOJCRJG-SSDOTTSWSA-N 0 3 184.214 1.407 20 0 ADADHN CCNCC(=O)N1CC[C@@H](C)[C@H](C)C1 131924912 573113574 /nfs/dbraw/zinc/11/35/74/573113574.db2.gz IUXNRYKAUCSROT-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CCNCC(=O)N1CC[C@H](C)[C@H](C)C1 131924696 573114206 /nfs/dbraw/zinc/11/42/06/573114206.db2.gz IUXNRYKAUCSROT-VHSXEESVSA-N 0 3 198.310 1.100 20 0 ADADHN CN(C/C=C/Cl)CC(C)(C)O 85697016 573117414 /nfs/dbraw/zinc/11/74/14/573117414.db2.gz ZHZXPAFCEIHOPW-SNAWJCMRSA-N 0 3 177.675 1.442 20 0 ADADHN C[C@@H]1CC[C@@H]1NC[C@@H](O)C(F)(F)F 308267212 573119069 /nfs/dbraw/zinc/11/90/69/573119069.db2.gz QGJZGFNNODMHEL-DSYKOEDSSA-N 0 3 197.200 1.298 20 0 ADADHN C[C@H]1CC[C@@H]1NC[C@@H](O)C(F)(F)F 308267214 573120353 /nfs/dbraw/zinc/12/03/53/573120353.db2.gz QGJZGFNNODMHEL-LYFYHCNISA-N 0 3 197.200 1.298 20 0 ADADHN C/C=C/C(=O)NC[C@@H]1CCCN(C)C1 82605350 573120812 /nfs/dbraw/zinc/12/08/12/573120812.db2.gz HDFRYAXHXNZSJC-GFAPAMAISA-N 0 3 196.294 1.021 20 0 ADADHN CCNCC(=O)N1CC[C@H](C)[C@@H](C)C1 131925097 573122027 /nfs/dbraw/zinc/12/20/27/573122027.db2.gz IUXNRYKAUCSROT-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@@H](CO)N(CCF)CC1CCC1 308274293 573123167 /nfs/dbraw/zinc/12/31/67/573123167.db2.gz UMSFSJOGSACBHL-VIFPVBQESA-N 0 3 189.274 1.439 20 0 ADADHN CN(Cc1ccon1)C[Si](C)(C)C 308273346 573128815 /nfs/dbraw/zinc/12/88/15/573128815.db2.gz UDQYPZOCKGAIHN-UHFFFAOYSA-N 0 3 198.342 1.984 20 0 ADADHN C[C@@H](O)c1ncc(CNC2CC2)s1 308279701 573132620 /nfs/dbraw/zinc/13/26/20/573132620.db2.gz WPMPSLXMXTXDGP-ZCFIWIBFSA-N 0 3 198.291 1.448 20 0 ADADHN CC(C)c1oncc1CN 82631509 573135494 /nfs/dbraw/zinc/13/54/94/573135494.db2.gz CWJDRUNASHEDBO-UHFFFAOYSA-N 0 3 140.186 1.257 20 0 ADADHN Cc1cc2c(cc1F)OCC[C@@H]2N 104659656 573135346 /nfs/dbraw/zinc/13/53/46/573135346.db2.gz NILXMEHNSZWRCD-VIFPVBQESA-N 0 3 181.210 1.916 20 0 ADADHN Cc1nc(Cl)sc1CN 82632580 573137265 /nfs/dbraw/zinc/13/72/65/573137265.db2.gz MRPXTUMOUDKUIK-UHFFFAOYSA-N 0 3 162.645 1.564 20 0 ADADHN C=Cc1ccccc1[C@@H](N)[C@H](C)O 104660489 573139316 /nfs/dbraw/zinc/13/93/16/573139316.db2.gz FTYJNULGKZXDNB-KWQFWETISA-N 0 3 177.247 1.710 20 0 ADADHN C=Cc1cccc([C@@H](N)[C@H](C)O)c1 104660500 573140280 /nfs/dbraw/zinc/14/02/80/573140280.db2.gz QFUOVKAIYILMGF-KWQFWETISA-N 0 3 177.247 1.710 20 0 ADADHN CCc1ccc2c(c1)OC[C@H]2N 104660986 573140678 /nfs/dbraw/zinc/14/06/78/573140678.db2.gz GERWWERJRSAIAO-SECBINFHSA-N 0 3 163.220 1.641 20 0 ADADHN CCc1ccc2c(c1)OC[C@@H]2N 104664773 573143944 /nfs/dbraw/zinc/14/39/44/573143944.db2.gz GERWWERJRSAIAO-VIFPVBQESA-N 0 3 163.220 1.641 20 0 ADADHN CCc1ccccc1[C@H](N)[C@H](C)O 104665563 573143974 /nfs/dbraw/zinc/14/39/74/573143974.db2.gz JSMGPFUDSSMWIF-GZMMTYOYSA-N 0 3 179.263 1.630 20 0 ADADHN CSc1ccc2c(c1)OC[C@H]2N 104665918 573145816 /nfs/dbraw/zinc/14/58/16/573145816.db2.gz IRILIZGMAOTYIM-MRVPVSSYSA-N 0 3 181.260 1.801 20 0 ADADHN CCCC[C@H](N)C(=O)N1CC[C@@H](C)C1 40724793 573146046 /nfs/dbraw/zinc/14/60/46/573146046.db2.gz CNZGABIFUKJDCA-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN Cc1occc1CNCC1(C)COC1 393658369 573147538 /nfs/dbraw/zinc/14/75/38/573147538.db2.gz OKFHFCFRGAHMEB-UHFFFAOYSA-N 0 3 195.262 1.714 20 0 ADADHN CCCC[C@@H](N)C(=O)N1CC[C@@H](C)C1 40724795 573147803 /nfs/dbraw/zinc/14/78/03/573147803.db2.gz CNZGABIFUKJDCA-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CCCC[C@H](N)C(=O)N1CC[C@H](C)C1 40724789 573148590 /nfs/dbraw/zinc/14/85/90/573148590.db2.gz CNZGABIFUKJDCA-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)c1c(F)cncc1F 104668578 573150385 /nfs/dbraw/zinc/15/03/85/573150385.db2.gz JNYOBOZJGRWFQC-ZETCQYMHSA-N 0 3 172.178 1.770 20 0 ADADHN C=Cc1cccc([C@H](N)[C@H](C)O)c1 104668846 573152321 /nfs/dbraw/zinc/15/23/21/573152321.db2.gz QFUOVKAIYILMGF-GZMMTYOYSA-N 0 3 177.247 1.710 20 0 ADADHN C=Cc1ccccc1[C@H](N)[C@H](C)O 104668844 573152411 /nfs/dbraw/zinc/15/24/11/573152411.db2.gz FTYJNULGKZXDNB-GZMMTYOYSA-N 0 3 177.247 1.710 20 0 ADADHN N[C@@H](c1c(F)cncc1F)C1CC1 104668587 573153500 /nfs/dbraw/zinc/15/35/00/573153500.db2.gz GJACGOWGNQVPPX-SECBINFHSA-N 0 3 184.189 1.770 20 0 ADADHN Fc1cncc(F)c1[C@@H]1CCCN1 104669297 573156033 /nfs/dbraw/zinc/15/60/33/573156033.db2.gz XTLYYKRITNPJGU-QMMMGPOBSA-N 0 3 184.189 1.784 20 0 ADADHN Cc1ccc2c(c1)OC[C@H]2N 82707538 573157506 /nfs/dbraw/zinc/15/75/06/573157506.db2.gz WJAHXDJJUGSXIA-MRVPVSSYSA-N 0 3 149.193 1.387 20 0 ADADHN Fc1cncc(F)c1[C@H]1CCCN1 104669302 573157720 /nfs/dbraw/zinc/15/77/20/573157720.db2.gz XTLYYKRITNPJGU-MRVPVSSYSA-N 0 3 184.189 1.784 20 0 ADADHN CCc1ccccc1[C@H](N)[C@@H](C)O 104672029 573157805 /nfs/dbraw/zinc/15/78/05/573157805.db2.gz JSMGPFUDSSMWIF-LDYMZIIASA-N 0 3 179.263 1.630 20 0 ADADHN CSc1ccc2c(c1)OC[C@@H]2N 104669711 573157895 /nfs/dbraw/zinc/15/78/95/573157895.db2.gz IRILIZGMAOTYIM-QMMMGPOBSA-N 0 3 181.260 1.801 20 0 ADADHN Cc1cc(CN)nc(CC(C)(C)C)n1 82675011 573157908 /nfs/dbraw/zinc/15/79/08/573157908.db2.gz MQQIBFZMOPMGKE-UHFFFAOYSA-N 0 3 193.294 1.832 20 0 ADADHN Cc1cc2c(cc1F)OCC[C@H]2N 104670435 573158385 /nfs/dbraw/zinc/15/83/85/573158385.db2.gz NILXMEHNSZWRCD-SECBINFHSA-N 0 3 181.210 1.916 20 0 ADADHN CC(C)(C)Cc1nccc(CN)n1 82675002 573159406 /nfs/dbraw/zinc/15/94/06/573159406.db2.gz KCZBFJPHUZATOZ-UHFFFAOYSA-N 0 3 179.267 1.524 20 0 ADADHN Cc1cc2c(cc1F)[C@@H](N)CCO2 104669718 573160566 /nfs/dbraw/zinc/16/05/66/573160566.db2.gz CCLSQDJKHHUSKT-VIFPVBQESA-N 0 3 181.210 1.916 20 0 ADADHN CCc1ccccc1[C@@H](N)[C@H](C)O 104670119 573160716 /nfs/dbraw/zinc/16/07/16/573160716.db2.gz JSMGPFUDSSMWIF-KWQFWETISA-N 0 3 179.263 1.630 20 0 ADADHN C=Cc1cccc([C@@H](N)[C@@H](C)O)c1 104672774 573165866 /nfs/dbraw/zinc/16/58/66/573165866.db2.gz QFUOVKAIYILMGF-KCJUWKMLSA-N 0 3 177.247 1.710 20 0 ADADHN C=Cc1ccccc1[C@@H](N)[C@@H](C)O 104672765 573166186 /nfs/dbraw/zinc/16/61/86/573166186.db2.gz FTYJNULGKZXDNB-KCJUWKMLSA-N 0 3 177.247 1.710 20 0 ADADHN C=Cc1cccc([C@H](N)[C@@H](C)O)c1 104672778 573167746 /nfs/dbraw/zinc/16/77/46/573167746.db2.gz QFUOVKAIYILMGF-LDYMZIIASA-N 0 3 177.247 1.710 20 0 ADADHN C=Cc1ccccc1[C@H](N)[C@@H](C)O 104672768 573168790 /nfs/dbraw/zinc/16/87/90/573168790.db2.gz FTYJNULGKZXDNB-LDYMZIIASA-N 0 3 177.247 1.710 20 0 ADADHN COc1cc2c(cc1C)OCC[C@H]2N 104675562 573171179 /nfs/dbraw/zinc/17/11/79/573171179.db2.gz JCXIOPSEMHSFCS-SECBINFHSA-N 0 3 193.246 1.786 20 0 ADADHN COc1cc2c(cc1C)OCC[C@@H]2N 104675565 573172352 /nfs/dbraw/zinc/17/23/52/573172352.db2.gz JCXIOPSEMHSFCS-VIFPVBQESA-N 0 3 193.246 1.786 20 0 ADADHN CCN(CCC(=O)C1CC1)C1CC1 308294191 573176002 /nfs/dbraw/zinc/17/60/02/573176002.db2.gz JBTUOKKTQZQYEV-UHFFFAOYSA-N 0 3 181.279 1.840 20 0 ADADHN CC[C@@H]1Oc2c(OC)cccc2[C@H]1N 82759604 573175149 /nfs/dbraw/zinc/17/51/49/573175149.db2.gz PGRIEBALUAFTIC-WCBMZHEXSA-N 0 3 193.246 1.866 20 0 ADADHN CC[C@H]1Oc2c(OC)cccc2[C@@H]1N 82759605 573175375 /nfs/dbraw/zinc/17/53/75/573175375.db2.gz PGRIEBALUAFTIC-SCZZXKLOSA-N 0 3 193.246 1.866 20 0 ADADHN CC[C@@H]1Oc2ccc(OC)cc2[C@@H]1N 82759702 573175510 /nfs/dbraw/zinc/17/55/10/573175510.db2.gz WAVDYDWBUADGHZ-ONGXEEELSA-N 0 3 193.246 1.866 20 0 ADADHN CC[C@@H]1Oc2ccc(F)cc2[C@@H]1N 82759730 573175785 /nfs/dbraw/zinc/17/57/85/573175785.db2.gz KBBDMBBOMUBVQH-WPRPVWTQSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@H]1Oc2ccc(F)cc2[C@@H]1N 82759729 573175915 /nfs/dbraw/zinc/17/59/15/573175915.db2.gz KBBDMBBOMUBVQH-SCZZXKLOSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@@H]1Oc2c(F)cccc2[C@@H]1N 82759618 573175938 /nfs/dbraw/zinc/17/59/38/573175938.db2.gz LNUKRWBSISUEDP-IUCAKERBSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@H](O)CNCc1ccc(F)nc1 308509558 573175986 /nfs/dbraw/zinc/17/59/86/573175986.db2.gz KJJWKXIJVPVHRU-VIFPVBQESA-N 0 3 198.241 1.081 20 0 ADADHN CC[C@@H]1Oc2ccccc2[C@@H]1N 82759682 573176540 /nfs/dbraw/zinc/17/65/40/573176540.db2.gz NDKLGTVVYKEUDT-WPRPVWTQSA-N 0 3 163.220 1.857 20 0 ADADHN CC[C@@H]1Oc2ccccc2[C@H]1N 82759680 573176915 /nfs/dbraw/zinc/17/69/15/573176915.db2.gz NDKLGTVVYKEUDT-WCBMZHEXSA-N 0 3 163.220 1.857 20 0 ADADHN CC[C@H]1Oc2c(F)cccc2[C@H]1N 82759615 573177514 /nfs/dbraw/zinc/17/75/14/573177514.db2.gz LNUKRWBSISUEDP-RKDXNWHRSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@@H]1Oc2c(F)cccc2[C@H]1N 82759616 573177952 /nfs/dbraw/zinc/17/79/52/573177952.db2.gz LNUKRWBSISUEDP-DTWKUNHWSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@H]1Oc2ccc(F)cc2[C@H]1N 82759727 573178072 /nfs/dbraw/zinc/17/80/72/573178072.db2.gz KBBDMBBOMUBVQH-PSASIEDQSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@H]1Oc2c(F)cccc2[C@@H]1N 82759617 573178084 /nfs/dbraw/zinc/17/80/84/573178084.db2.gz LNUKRWBSISUEDP-BDAKNGLRSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@H]1Oc2ccccc2[C@H]1N 82759679 573178250 /nfs/dbraw/zinc/17/82/50/573178250.db2.gz NDKLGTVVYKEUDT-PSASIEDQSA-N 0 3 163.220 1.857 20 0 ADADHN CC[C@H]1Oc2c(OC)cccc2[C@H]1N 82759603 573178276 /nfs/dbraw/zinc/17/82/76/573178276.db2.gz PGRIEBALUAFTIC-PSASIEDQSA-N 0 3 193.246 1.866 20 0 ADADHN CC[C@@H]1Oc2ccc(F)cc2[C@H]1N 82759728 573179424 /nfs/dbraw/zinc/17/94/24/573179424.db2.gz KBBDMBBOMUBVQH-WCBMZHEXSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@H]1Oc2ccccc2[C@@H]1N 82759681 573179128 /nfs/dbraw/zinc/17/91/28/573179128.db2.gz NDKLGTVVYKEUDT-SCZZXKLOSA-N 0 3 163.220 1.857 20 0 ADADHN CC[C@H]1Oc2ccc(OC)cc2[C@@H]1N 82759701 573179166 /nfs/dbraw/zinc/17/91/66/573179166.db2.gz WAVDYDWBUADGHZ-KOLCDFICSA-N 0 3 193.246 1.866 20 0 ADADHN CC[C@@H]1Oc2ccc(OC)cc2[C@H]1N 82759700 573179603 /nfs/dbraw/zinc/17/96/03/573179603.db2.gz WAVDYDWBUADGHZ-GXSJLCMTSA-N 0 3 193.246 1.866 20 0 ADADHN CC[C@@H]1Oc2c(OC)cccc2[C@@H]1N 82759606 573179754 /nfs/dbraw/zinc/17/97/54/573179754.db2.gz PGRIEBALUAFTIC-WPRPVWTQSA-N 0 3 193.246 1.866 20 0 ADADHN CC[C@H]1Oc2ccc(OC)cc2[C@H]1N 82759699 573179847 /nfs/dbraw/zinc/17/98/47/573179847.db2.gz WAVDYDWBUADGHZ-MWLCHTKSSA-N 0 3 193.246 1.866 20 0 ADADHN CCN(Cc1cc(C)n[nH]1)C(C)C 308293119 573179975 /nfs/dbraw/zinc/17/99/75/573179975.db2.gz IMMDIUDTCNRZID-UHFFFAOYSA-N 0 3 181.283 1.948 20 0 ADADHN CCN(Cc1cc(C)[nH]n1)C(C)C 308293119 573179981 /nfs/dbraw/zinc/17/99/81/573179981.db2.gz IMMDIUDTCNRZID-UHFFFAOYSA-N 0 3 181.283 1.948 20 0 ADADHN c1nc(CNCC2(C3CC3)CC2)c[nH]1 125836339 573181603 /nfs/dbraw/zinc/18/16/03/573181603.db2.gz ZFVXXFWGLVYZKW-UHFFFAOYSA-N 0 3 191.278 1.690 20 0 ADADHN CC(C)CCN[C@H](C)c1ncnn1C 308517038 573189942 /nfs/dbraw/zinc/18/99/42/573189942.db2.gz NBYYORSPCQFWGM-SECBINFHSA-N 0 3 196.298 1.512 20 0 ADADHN C/C=C(/C)C(=O)N[C@@H](C)CN(C)C 308303821 573193428 /nfs/dbraw/zinc/19/34/28/573193428.db2.gz NGXDMECDIFDYOR-XZLDQRQTSA-N 0 3 184.283 1.019 20 0 ADADHN C/C=C(\C)C(=O)N[C@@H](C)CN(C)C 308303820 573194939 /nfs/dbraw/zinc/19/49/39/573194939.db2.gz NGXDMECDIFDYOR-ORZBULNSSA-N 0 3 184.283 1.019 20 0 ADADHN CC[C@H](N)c1cc(F)cnc1OC 238312939 573207577 /nfs/dbraw/zinc/20/75/77/573207577.db2.gz NBQUAPHXAMINTL-QMMMGPOBSA-N 0 3 184.214 1.639 20 0 ADADHN C[C@@H]1CC(OC2CNC2)C[C@@H](C)C1 82832899 573218850 /nfs/dbraw/zinc/21/88/50/573218850.db2.gz DLJBXCGQAJPKAY-IUCAKERBSA-N 0 3 183.295 1.800 20 0 ADADHN C[C@H]1CC(OC2CNC2)C[C@H](C)C1 82832900 573219685 /nfs/dbraw/zinc/21/96/85/573219685.db2.gz DLJBXCGQAJPKAY-RKDXNWHRSA-N 0 3 183.295 1.800 20 0 ADADHN CC[C@@](C)(CC(=O)OC)NCCF 308318400 573222308 /nfs/dbraw/zinc/22/23/08/573222308.db2.gz XDBPLGRFEACAAU-VIFPVBQESA-N 0 3 191.246 1.277 20 0 ADADHN CCC1CCC(OC2CNC2)CC1 82848707 573232751 /nfs/dbraw/zinc/23/27/51/573232751.db2.gz LNJACJGNWXUHPN-UHFFFAOYSA-N 0 3 183.295 1.944 20 0 ADADHN CCOC(=O)/C=C\CN1CC[C@H](C)C1 308324115 573240048 /nfs/dbraw/zinc/24/00/48/573240048.db2.gz UQCMKLHPWPGCLP-LWTINBJPSA-N 0 3 197.278 1.448 20 0 ADADHN CCN(C/C=C/Cl)[C@@H](C)CO 393512711 573256470 /nfs/dbraw/zinc/25/64/70/573256470.db2.gz KANKNPUEUGSNGK-ZJELKQJVSA-N 0 3 177.675 1.442 20 0 ADADHN CCC[C@@H](C)NC(=O)C1(NC)CCC1 308531874 573260450 /nfs/dbraw/zinc/26/04/50/573260450.db2.gz QSFUYTOCGLZEIT-SECBINFHSA-N 0 3 198.310 1.433 20 0 ADADHN CCN(Cc1c[nH]cn1)CC(C)C 308332127 573260605 /nfs/dbraw/zinc/26/06/05/573260605.db2.gz JHRYHEOLWYQLBH-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CCN(Cc1cnc[nH]1)CC(C)C 308332127 573260610 /nfs/dbraw/zinc/26/06/10/573260610.db2.gz JHRYHEOLWYQLBH-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CCC[C@H](C)NC(=O)C1(NC)CCC1 308531878 573262047 /nfs/dbraw/zinc/26/20/47/573262047.db2.gz QSFUYTOCGLZEIT-VIFPVBQESA-N 0 3 198.310 1.433 20 0 ADADHN C[C@@H](NCc1cnn(C)n1)C(C)(C)C 308532065 573265049 /nfs/dbraw/zinc/26/50/49/573265049.db2.gz QXFYMLMJBUIKRT-MRVPVSSYSA-N 0 3 196.298 1.339 20 0 ADADHN C[C@H](NCc1cnn(C)n1)C(C)(C)C 308532067 573267968 /nfs/dbraw/zinc/26/79/68/573267968.db2.gz QXFYMLMJBUIKRT-QMMMGPOBSA-N 0 3 196.298 1.339 20 0 ADADHN C/C=C/C(=O)NC1(CN(C)C)CCC1 393514069 573286950 /nfs/dbraw/zinc/28/69/50/573286950.db2.gz WEHNRZBXXYNJOT-GQCTYLIASA-N 0 3 196.294 1.163 20 0 ADADHN C[C@@H](CC1CC1)NCc1nncn1C 132370319 573292403 /nfs/dbraw/zinc/29/24/03/573292403.db2.gz VSNNKORLZBHUMM-QMMMGPOBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H](CC1CC1)NCc1nncn1C 132370505 573292707 /nfs/dbraw/zinc/29/27/07/573292707.db2.gz VSNNKORLZBHUMM-MRVPVSSYSA-N 0 3 194.282 1.093 20 0 ADADHN CC[C@H](NCc1c[nH]cn1)C(C)(C)O 393514464 573295040 /nfs/dbraw/zinc/29/50/40/573295040.db2.gz ZQVYSTASMXYTOL-VIFPVBQESA-N 0 3 197.282 1.049 20 0 ADADHN CC[C@H](NCc1cnc[nH]1)C(C)(C)O 393514464 573295045 /nfs/dbraw/zinc/29/50/45/573295045.db2.gz ZQVYSTASMXYTOL-VIFPVBQESA-N 0 3 197.282 1.049 20 0 ADADHN CC[C@@H](NCc1c[nH]cn1)C(C)(C)O 393514461 573295291 /nfs/dbraw/zinc/29/52/91/573295291.db2.gz ZQVYSTASMXYTOL-SECBINFHSA-N 0 3 197.282 1.049 20 0 ADADHN CC[C@@H](NCc1cnc[nH]1)C(C)(C)O 393514461 573295297 /nfs/dbraw/zinc/29/52/97/573295297.db2.gz ZQVYSTASMXYTOL-SECBINFHSA-N 0 3 197.282 1.049 20 0 ADADHN Cn1cnc(CNC2CCCC2)c1 236129110 573301373 /nfs/dbraw/zinc/30/13/73/573301373.db2.gz ACWNCWCUVOXLHA-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN Cc1cc([C@H](N)[C@H](C)O)ccc1F 74299455 573304388 /nfs/dbraw/zinc/30/43/88/573304388.db2.gz FSABZFYFIIFJAQ-OIBJUYFYSA-N 0 3 183.226 1.515 20 0 ADADHN Cc1cc([C@@H](N)[C@@H](C)O)ccc1F 74299454 573305090 /nfs/dbraw/zinc/30/50/90/573305090.db2.gz FSABZFYFIIFJAQ-XCBNKYQSSA-N 0 3 183.226 1.515 20 0 ADADHN Cn1ncc(CNC(C)(C)C2CC2)n1 308544989 573305597 /nfs/dbraw/zinc/30/55/97/573305597.db2.gz VHUVODNKZTXEMN-UHFFFAOYSA-N 0 3 194.282 1.093 20 0 ADADHN Cc1cc([C@H](N)[C@@H](C)O)ccc1F 74299452 573306757 /nfs/dbraw/zinc/30/67/57/573306757.db2.gz FSABZFYFIIFJAQ-GMSGAONNSA-N 0 3 183.226 1.515 20 0 ADADHN CCCCCCn1cc(CN)nn1 50224548 573320555 /nfs/dbraw/zinc/32/05/55/573320555.db2.gz GFSPBVLUQRKIQB-UHFFFAOYSA-N 0 3 182.271 1.317 20 0 ADADHN CC(C)C[C@H](C)NCc1cnn(C)n1 308552717 573321254 /nfs/dbraw/zinc/32/12/54/573321254.db2.gz YBTLKDTUFKNSHZ-VIFPVBQESA-N 0 3 196.298 1.339 20 0 ADADHN CC(C)C[C@@H](C)NCc1cnn(C)n1 308552716 573322247 /nfs/dbraw/zinc/32/22/47/573322247.db2.gz YBTLKDTUFKNSHZ-SECBINFHSA-N 0 3 196.298 1.339 20 0 ADADHN CCCN(CC)C(=O)C1(NC)CCC1 308548719 573323345 /nfs/dbraw/zinc/32/33/45/573323345.db2.gz WSUZRLWFIBFBFT-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN OCCCCNCc1ccc(F)nc1 308550631 573335215 /nfs/dbraw/zinc/33/52/15/573335215.db2.gz VYCWZKLZXKWZDO-UHFFFAOYSA-N 0 3 198.241 1.083 20 0 ADADHN Cc1cccc2c1CN(C)CC2 74449835 573339280 /nfs/dbraw/zinc/33/92/80/573339280.db2.gz XBECECDPBFZMKD-UHFFFAOYSA-N 0 3 161.248 1.983 20 0 ADADHN C[C@H]1CN(CCO)Cc2ccccc21 74450562 573339823 /nfs/dbraw/zinc/33/98/23/573339823.db2.gz WUWBGKSFUZVGGC-JTQLQIEISA-N 0 3 191.274 1.598 20 0 ADADHN Cc1cccc2c1CCN(CCO)C2 74447940 573340109 /nfs/dbraw/zinc/34/01/09/573340109.db2.gz NZIHODAEEKYWBE-UHFFFAOYSA-N 0 3 191.274 1.345 20 0 ADADHN C[C@@H]1CN(CCO)Cc2ccccc21 74450560 573340886 /nfs/dbraw/zinc/34/08/86/573340886.db2.gz WUWBGKSFUZVGGC-SNVBAGLBSA-N 0 3 191.274 1.598 20 0 ADADHN CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]1C 308559153 573350956 /nfs/dbraw/zinc/35/09/56/573350956.db2.gz WFUDHJYCQSUDSW-KXUCPTDWSA-N 0 3 198.310 1.419 20 0 ADADHN Cc1cc(CNCCC2CC2)[nH]n1 308363726 573358369 /nfs/dbraw/zinc/35/83/69/573358369.db2.gz GEIKBWBYYVQLJZ-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN CCCCNCc1cc(CC)n[nH]1 50306704 573362795 /nfs/dbraw/zinc/36/27/95/573362795.db2.gz MCWCWFJDLBFAQY-UHFFFAOYSA-N 0 3 181.283 1.862 20 0 ADADHN CCc1cc(CNCC2CC2)[nH]n1 50306714 573364870 /nfs/dbraw/zinc/36/48/70/573364870.db2.gz DFUQLCZTXMXBGT-UHFFFAOYSA-N 0 3 179.267 1.472 20 0 ADADHN Cc1cc(N)nc(NC2CCC2)n1 259610202 573374716 /nfs/dbraw/zinc/37/47/16/573374716.db2.gz DRBMBYBMNVYJRS-UHFFFAOYSA-N 0 3 178.239 1.332 20 0 ADADHN CNCC(=O)NCCCCC(C)C 133118669 573375457 /nfs/dbraw/zinc/37/54/57/573375457.db2.gz ABHDFRKOQVZTTB-UHFFFAOYSA-N 0 3 186.299 1.148 20 0 ADADHN C[C@@H](CC1CC1)NCc1cn(C)cn1 308565638 573376330 /nfs/dbraw/zinc/37/63/30/573376330.db2.gz HNFUQBHDNKDJIB-VIFPVBQESA-N 0 3 193.294 1.698 20 0 ADADHN CCCCN(C)C(=O)CN1CCCC1 74693500 573376450 /nfs/dbraw/zinc/37/64/50/573376450.db2.gz TVXOFQHCTJXHQZ-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN C[C@H](CC1CC1)NCc1cn(C)cn1 308565635 573376811 /nfs/dbraw/zinc/37/68/11/573376811.db2.gz HNFUQBHDNKDJIB-SECBINFHSA-N 0 3 193.294 1.698 20 0 ADADHN CCN(C)CCNC(=O)CC(C)C 308377597 573381524 /nfs/dbraw/zinc/38/15/24/573381524.db2.gz SZNZXZBDAMKDML-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN COc1cc(C)cc([C@H](N)[C@@H](C)O)c1 238376398 573388077 /nfs/dbraw/zinc/38/80/77/573388077.db2.gz UUQOOMMZAUMHRB-LDYMZIIASA-N 0 3 195.262 1.384 20 0 ADADHN COc1cc(C)cc([C@H](N)[C@H](C)O)c1 238376413 573388308 /nfs/dbraw/zinc/38/83/08/573388308.db2.gz UUQOOMMZAUMHRB-GZMMTYOYSA-N 0 3 195.262 1.384 20 0 ADADHN C[C@H](N)c1cc(C2CC2)nn1C 107160962 573389923 /nfs/dbraw/zinc/38/99/23/573389923.db2.gz BAFMSPZMAOVQIS-LURJTMIESA-N 0 3 165.240 1.317 20 0 ADADHN C[C@@H](N)c1cc(C2CC2)nn1C 107160965 573390745 /nfs/dbraw/zinc/39/07/45/573390745.db2.gz BAFMSPZMAOVQIS-ZCFIWIBFSA-N 0 3 165.240 1.317 20 0 ADADHN CCOCCCN[C@H](C)c1ncc[nH]1 308574673 573403148 /nfs/dbraw/zinc/40/31/48/573403148.db2.gz DAKLJYNXEVUJCS-SECBINFHSA-N 0 3 197.282 1.487 20 0 ADADHN C[C@@H](CCO)NCc1ccc(F)nc1 308578897 573411302 /nfs/dbraw/zinc/41/13/02/573411302.db2.gz ODHLFJINSZABCI-QMMMGPOBSA-N 0 3 198.241 1.081 20 0 ADADHN CCCNCc1c(C)cnn1COC 308578388 573413719 /nfs/dbraw/zinc/41/37/19/573413719.db2.gz FMEROYQAPUETAO-UHFFFAOYSA-N 0 3 197.282 1.295 20 0 ADADHN OCCCCCCNCc1c[nH]cn1 133608620 573415164 /nfs/dbraw/zinc/41/51/64/573415164.db2.gz MBUYPQDQCJJXOW-UHFFFAOYSA-N 0 3 197.282 1.052 20 0 ADADHN OCCCCCCNCc1cc[nH]n1 133612739 573415551 /nfs/dbraw/zinc/41/55/51/573415551.db2.gz HTHZYTOJYKYGFN-UHFFFAOYSA-N 0 3 197.282 1.052 20 0 ADADHN CCC1CCC([C@H](N)C(N)=O)CC1 83144668 573425397 /nfs/dbraw/zinc/42/53/97/573425397.db2.gz WTOARLDYWDGLKM-HACHORDNSA-N 0 3 184.283 1.015 20 0 ADADHN CCC1CCC([C@@H](N)C(N)=O)CC1 83144670 573425533 /nfs/dbraw/zinc/42/55/33/573425533.db2.gz WTOARLDYWDGLKM-AMDVSUOASA-N 0 3 184.283 1.015 20 0 ADADHN CC(C)(N)c1cc(C2CC2)no1 107222052 573425857 /nfs/dbraw/zinc/42/58/57/573425857.db2.gz SKPKMQSRGMEELG-UHFFFAOYSA-N 0 3 166.224 1.746 20 0 ADADHN COc1cc2c(cc1C)[C@H](N)CCO2 238395917 573438812 /nfs/dbraw/zinc/43/88/12/573438812.db2.gz HFOLBJULRLSFBS-SECBINFHSA-N 0 3 193.246 1.786 20 0 ADADHN C1CCC(c2n[nH]c3c2CNCC3)C1 107233572 573439623 /nfs/dbraw/zinc/43/96/23/573439623.db2.gz OJAWFIVSCZSKJD-UHFFFAOYSA-N 0 3 191.278 1.713 20 0 ADADHN C1CCC(c2[nH]nc3c2CNCC3)C1 107233572 573439628 /nfs/dbraw/zinc/43/96/28/573439628.db2.gz OJAWFIVSCZSKJD-UHFFFAOYSA-N 0 3 191.278 1.713 20 0 ADADHN COc1cc2c(cc1C)[C@@H](N)CCO2 238396103 573439688 /nfs/dbraw/zinc/43/96/88/573439688.db2.gz HFOLBJULRLSFBS-VIFPVBQESA-N 0 3 193.246 1.786 20 0 ADADHN COC(=O)C=C1CCN(C2CC2)CC1 107236170 573440923 /nfs/dbraw/zinc/44/09/23/573440923.db2.gz ZCQBTGNSBHWALI-UHFFFAOYSA-N 0 3 195.262 1.344 20 0 ADADHN COC(=O)C=C1CCN(C(C)C)CC1 107238096 573443893 /nfs/dbraw/zinc/44/38/93/573443893.db2.gz CSKNLAQLTXJQFH-UHFFFAOYSA-N 0 3 197.278 1.590 20 0 ADADHN CSc1nc(Cl)cc(CN)n1 107250646 573447660 /nfs/dbraw/zinc/44/76/60/573447660.db2.gz FHFMAKPVLPQGOJ-UHFFFAOYSA-N 0 3 189.671 1.311 20 0 ADADHN Cc1ccoc1CN(C)[C@@H](C)[C@@H](C)O 308587652 573448336 /nfs/dbraw/zinc/44/83/36/573448336.db2.gz SVNVKFTUCMAOJX-VHSXEESVSA-N 0 3 197.278 1.789 20 0 ADADHN Cc1ccoc1CN(C)[C@@H](C)[C@H](C)O 308587651 573451653 /nfs/dbraw/zinc/45/16/53/573451653.db2.gz SVNVKFTUCMAOJX-UWVGGRQHSA-N 0 3 197.278 1.789 20 0 ADADHN Cc1ccoc1CN(C)[C@H](C)[C@H](C)O 308587653 573449856 /nfs/dbraw/zinc/44/98/56/573449856.db2.gz SVNVKFTUCMAOJX-ZJUUUORDSA-N 0 3 197.278 1.789 20 0 ADADHN CC(C)[C@@H](N)c1cscn1 83268925 573450003 /nfs/dbraw/zinc/45/00/03/573450003.db2.gz MZYSRMUFWGDMPV-SSDOTTSWSA-N 0 3 156.254 1.799 20 0 ADADHN Cc1ccoc1CN(C)[C@H](C)[C@@H](C)O 308587650 573450357 /nfs/dbraw/zinc/45/03/57/573450357.db2.gz SVNVKFTUCMAOJX-NXEZZACHSA-N 0 3 197.278 1.789 20 0 ADADHN NC[C@@H](F)COCc1ccccc1 107257770 573451072 /nfs/dbraw/zinc/45/10/72/573451072.db2.gz MWKNRKBHGDHVRT-SNVBAGLBSA-N 0 3 183.226 1.500 20 0 ADADHN CCCc1ncc2cc(N)ccn12 258367333 573461979 /nfs/dbraw/zinc/46/19/79/573461979.db2.gz SGVOZBLHKIVEKK-UHFFFAOYSA-N 0 3 175.235 1.869 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1nc[nH]n1 83390675 573479066 /nfs/dbraw/zinc/47/90/66/573479066.db2.gz LUKIGDPINXIQTA-YUMQZZPRSA-N 0 3 180.255 1.083 20 0 ADADHN N[C@H](CCO)c1ccc(Cl)nc1 75086418 573475905 /nfs/dbraw/zinc/47/59/05/573475905.db2.gz FZKHDVDTGABUOI-SSDOTTSWSA-N 0 3 186.642 1.117 20 0 ADADHN COCCN[C@H](C)c1cnn(C)c1C 308585014 573476686 /nfs/dbraw/zinc/47/66/86/573476686.db2.gz LTJCKAJGMJZBRZ-MRVPVSSYSA-N 0 3 197.282 1.026 20 0 ADADHN N[C@@H](CCO)c1ccc(Cl)nc1 75086420 573477513 /nfs/dbraw/zinc/47/75/13/573477513.db2.gz FZKHDVDTGABUOI-ZETCQYMHSA-N 0 3 186.642 1.117 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1nc[nH]n1 83390674 573478511 /nfs/dbraw/zinc/47/85/11/573478511.db2.gz LUKIGDPINXIQTA-SFYZADRCSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@H]1SCC[C@@H]1NCc1c[nH]cn1 235604454 573478556 /nfs/dbraw/zinc/47/85/56/573478556.db2.gz DHAYQBCOERTJTE-APPZFPTMSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H]1SCC[C@@H]1NCc1cnc[nH]1 235604454 573478559 /nfs/dbraw/zinc/47/85/59/573478559.db2.gz DHAYQBCOERTJTE-APPZFPTMSA-N 0 3 197.307 1.393 20 0 ADADHN CCc1cc(CN[C@@H](C)COC)n[nH]1 308596283 573480042 /nfs/dbraw/zinc/48/00/42/573480042.db2.gz MQNOBNBSJFZLGF-QMMMGPOBSA-N 0 3 197.282 1.097 20 0 ADADHN CCc1cc(CN[C@@H](C)COC)[nH]n1 308596283 573480043 /nfs/dbraw/zinc/48/00/43/573480043.db2.gz MQNOBNBSJFZLGF-QMMMGPOBSA-N 0 3 197.282 1.097 20 0 ADADHN COc1ncc(F)cc1[C@H](C)N 238415036 573482397 /nfs/dbraw/zinc/48/23/97/573482397.db2.gz SNKPNKLWTBUEMR-YFKPBYRVSA-N 0 3 170.187 1.249 20 0 ADADHN COc1ncc(F)cc1[C@@H](N)C(C)C 238414771 573482457 /nfs/dbraw/zinc/48/24/57/573482457.db2.gz AWEUXCDERMPISJ-VIFPVBQESA-N 0 3 198.241 1.885 20 0 ADADHN FC1(F)CNCC12CCCC2 257820060 573487355 /nfs/dbraw/zinc/48/73/55/573487355.db2.gz FOQZKZYPJNOEJM-UHFFFAOYSA-N 0 3 161.195 1.785 20 0 ADADHN C/C=C\C(=O)NC(C)(C)CN(C)C 308608426 573497342 /nfs/dbraw/zinc/49/73/42/573497342.db2.gz RBTZMNHEJOXCSI-SREVYHEPSA-N 0 3 184.283 1.019 20 0 ADADHN C[C@@H](N)C(=O)NCC(C)(C)C1CCC1 258698547 573498921 /nfs/dbraw/zinc/49/89/21/573498921.db2.gz FHIAEDJKFKJHKF-MRVPVSSYSA-N 0 3 198.310 1.276 20 0 ADADHN c1c[nH]c(CNCC2(C3CC3)CC2)n1 125837553 573515346 /nfs/dbraw/zinc/51/53/46/573515346.db2.gz BOXRSOHAORFGPI-UHFFFAOYSA-N 0 3 191.278 1.690 20 0 ADADHN COCCN[C@H](C)c1cc(C)nn1C 308603342 573516632 /nfs/dbraw/zinc/51/66/32/573516632.db2.gz OXIILSZRMRUWEE-SECBINFHSA-N 0 3 197.282 1.026 20 0 ADADHN c1cc(CNCC2(C3CC3)CC2)n[nH]1 125838098 573518263 /nfs/dbraw/zinc/51/82/63/573518263.db2.gz CHRNVOMUVAIWAO-UHFFFAOYSA-N 0 3 191.278 1.690 20 0 ADADHN COCCN[C@@H](C)c1cc(C)nn1C 308603344 573518085 /nfs/dbraw/zinc/51/80/85/573518085.db2.gz OXIILSZRMRUWEE-VIFPVBQESA-N 0 3 197.282 1.026 20 0 ADADHN COCCC(C)(C)NCc1c[nH]cn1 308605069 573519840 /nfs/dbraw/zinc/51/98/40/573519840.db2.gz PJFDMOXCAVSMBR-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CO[C@@H](C)CCNCc1cc(C)n[nH]1 308612577 573526354 /nfs/dbraw/zinc/52/63/54/573526354.db2.gz RBSMDFNHLGZYNA-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN Cn1nncc1CNCCC1CCC1 130344288 573547166 /nfs/dbraw/zinc/54/71/66/573547166.db2.gz WQXLYWYXMFJYSU-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN Cn1ccc(CNCCC2CCC2)n1 130335809 573548002 /nfs/dbraw/zinc/54/80/02/573548002.db2.gz XVOQJANZGGHDAP-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN c1c[nH]c(CNCCC2CCC2)n1 130348368 573550700 /nfs/dbraw/zinc/55/07/00/573550700.db2.gz SWRHTTBAJCLDLZ-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN c1nc(CNCCC2CCC2)c[nH]1 130351752 573553790 /nfs/dbraw/zinc/55/37/90/573553790.db2.gz LVQQFDFTPPHIFG-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN CCCC1CCN(C(=O)[C@@H](C)N)CC1 50906119 573558219 /nfs/dbraw/zinc/55/82/19/573558219.db2.gz HRVRQGDATLUXHH-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CCCC1CCN(C(=O)CNC)CC1 50906228 573559378 /nfs/dbraw/zinc/55/93/78/573559378.db2.gz VAISJRDYNMSVDT-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN[C@H](C)c1ccn(C)n1 83574038 573561459 /nfs/dbraw/zinc/56/14/59/573561459.db2.gz BBNSNGCASPANKS-SSDOTTSWSA-N 0 3 153.229 1.091 20 0 ADADHN CO[C@H](CNCc1c[nH]cn1)C(C)C 308621845 573562258 /nfs/dbraw/zinc/56/22/58/573562258.db2.gz UFEOCZFZXNGMPM-SNVBAGLBSA-N 0 3 197.282 1.170 20 0 ADADHN CO[C@H](CNCc1cnc[nH]1)C(C)C 308621845 573562261 /nfs/dbraw/zinc/56/22/61/573562261.db2.gz UFEOCZFZXNGMPM-SNVBAGLBSA-N 0 3 197.282 1.170 20 0 ADADHN CO[C@@H](CNCc1c[nH]cn1)C(C)C 308621844 573564932 /nfs/dbraw/zinc/56/49/32/573564932.db2.gz UFEOCZFZXNGMPM-JTQLQIEISA-N 0 3 197.282 1.170 20 0 ADADHN CO[C@@H](CNCc1cnc[nH]1)C(C)C 308621844 573564938 /nfs/dbraw/zinc/56/49/38/573564938.db2.gz UFEOCZFZXNGMPM-JTQLQIEISA-N 0 3 197.282 1.170 20 0 ADADHN C[C@@H](NCc1cnc[nH]1)c1ccc[nH]1 308624874 573569455 /nfs/dbraw/zinc/56/94/55/573569455.db2.gz VMOVYCMRUUFLIE-MRVPVSSYSA-N 0 3 190.250 1.589 20 0 ADADHN Cc1ncc(CN)c(C(F)(F)F)n1 82389843 573571020 /nfs/dbraw/zinc/57/10/20/573571020.db2.gz ADRJFLNSNOEYMC-UHFFFAOYSA-N 0 3 191.156 1.263 20 0 ADADHN C[C@@H](CCO)NCc1cccc(F)n1 308637949 573581324 /nfs/dbraw/zinc/58/13/24/573581324.db2.gz CYGHHKBLZNEURV-QMMMGPOBSA-N 0 3 198.241 1.081 20 0 ADADHN CC(C)[C@@H](CO)N[C@@H](C)c1ncc[nH]1 308638046 573581848 /nfs/dbraw/zinc/58/18/48/573581848.db2.gz DAEVUJOUUQKPDT-DTWKUNHWSA-N 0 3 197.282 1.077 20 0 ADADHN C=Cc1ccc([C@@H](N)[C@@H](C)O)cc1 238455791 573594734 /nfs/dbraw/zinc/59/47/34/573594734.db2.gz CQTOCYBCTVVZNP-KCJUWKMLSA-N 0 3 177.247 1.710 20 0 ADADHN CCN1CCC[C@@H](OCC2CC2)C1 393540362 573598783 /nfs/dbraw/zinc/59/87/83/573598783.db2.gz XEKRVHHQOCNYIM-LLVKDONJSA-N 0 3 183.295 1.897 20 0 ADADHN Fc1ccc(COC2CNC2)cc1F 96303164 573604465 /nfs/dbraw/zinc/60/44/65/573604465.db2.gz IOFPVNUDIAXDED-UHFFFAOYSA-N 0 3 199.200 1.453 20 0 ADADHN Cc1ccc(CN[C@H]2COC[C@H]2C)o1 687962680 573613893 /nfs/dbraw/zinc/61/38/93/573613893.db2.gz FCFWDBHULVCHNZ-KCJUWKMLSA-N 0 3 195.262 1.713 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1cccc(F)n1 308642515 573614947 /nfs/dbraw/zinc/61/49/47/573614947.db2.gz FMNUPGPTPRVFFX-RKDXNWHRSA-N 0 3 194.253 1.966 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1cccc(F)n1 308642510 573616497 /nfs/dbraw/zinc/61/64/97/573616497.db2.gz FMNUPGPTPRVFFX-BDAKNGLRSA-N 0 3 194.253 1.966 20 0 ADADHN NCc1ccc(OCC2CC2)cn1 86789679 573617579 /nfs/dbraw/zinc/61/75/79/573617579.db2.gz IYICHBRKKUHKGO-UHFFFAOYSA-N 0 3 178.235 1.329 20 0 ADADHN Cc1ccc(CN[C@H]2COC[C@@H]2C)o1 687962681 573618129 /nfs/dbraw/zinc/61/81/29/573618129.db2.gz FCFWDBHULVCHNZ-KWQFWETISA-N 0 3 195.262 1.713 20 0 ADADHN C[C@H]1C[C@H]1CNCc1cccc(F)n1 308642513 573619474 /nfs/dbraw/zinc/61/94/74/573619474.db2.gz FMNUPGPTPRVFFX-IUCAKERBSA-N 0 3 194.253 1.966 20 0 ADADHN CC[C@](C)(N)C(=O)N1CCC(C)CC1 86800629 573624610 /nfs/dbraw/zinc/62/46/10/573624610.db2.gz CGHHKMQNZZSJOV-NSHDSACASA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@](C)(N)C(=O)N[C@H]1CCC[C@@H]1C 86806594 573624650 /nfs/dbraw/zinc/62/46/50/573624650.db2.gz XCNGTLFVZAGZAG-QXEWZRGKSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@](C)(N)C(=O)N1CCC(C)CC1 86800631 573624713 /nfs/dbraw/zinc/62/47/13/573624713.db2.gz CGHHKMQNZZSJOV-LLVKDONJSA-N 0 3 198.310 1.372 20 0 ADADHN N[C@H]1COc2cc(F)c(Cl)cc21 96554485 573626020 /nfs/dbraw/zinc/62/60/20/573626020.db2.gz ACTPJNVSXJBPTF-ZETCQYMHSA-N 0 3 187.601 1.871 20 0 ADADHN N[C@@H]1COc2cc(F)c(Cl)cc21 96554486 573629731 /nfs/dbraw/zinc/62/97/31/573629731.db2.gz ACTPJNVSXJBPTF-SSDOTTSWSA-N 0 3 187.601 1.871 20 0 ADADHN C/C=C/C(=O)N(C)[C@H]1CCCN(C)C1 83811203 573654599 /nfs/dbraw/zinc/65/45/99/573654599.db2.gz IMNITNUCVMWTQG-RWCYGVJQSA-N 0 3 196.294 1.115 20 0 ADADHN COCC(C)(C)CNCc1c[nH]cn1 308661712 573670979 /nfs/dbraw/zinc/67/09/79/573670979.db2.gz QEKVWRLGJNGLMR-UHFFFAOYSA-N 0 3 197.282 1.172 20 0 ADADHN NC1(C(=O)N2CCCCCCC2)CC1 83834034 573671107 /nfs/dbraw/zinc/67/11/07/573671107.db2.gz PWJMPXADLMMPGB-UHFFFAOYSA-N 0 3 196.294 1.270 20 0 ADADHN C(=C1CNC1)c1ccccc1 86881823 573672025 /nfs/dbraw/zinc/67/20/25/573672025.db2.gz YQAMJTBTZAPJQU-UHFFFAOYSA-N 0 3 145.205 1.673 20 0 ADADHN CCC(C)=C1CNC1 86882026 573674470 /nfs/dbraw/zinc/67/44/70/573674470.db2.gz YWMSDTQTTBAXJN-UHFFFAOYSA-N 0 3 111.188 1.316 20 0 ADADHN Fc1ccc(C=C2CNC2)cc1 86882146 573676417 /nfs/dbraw/zinc/67/64/17/573676417.db2.gz KDVSRQDWFPVKMT-UHFFFAOYSA-N 0 3 163.195 1.812 20 0 ADADHN Fc1ccc(F)c(C=C2CNC2)c1 86882227 573677980 /nfs/dbraw/zinc/67/79/80/573677980.db2.gz FQTDESIQELVADN-UHFFFAOYSA-N 0 3 181.185 1.951 20 0 ADADHN Fc1ccccc1C=C1CNC1 86882139 573677785 /nfs/dbraw/zinc/67/77/85/573677785.db2.gz TZSLOOGGGGPBIV-UHFFFAOYSA-N 0 3 163.195 1.812 20 0 ADADHN C1CCC(=C2CNC2)CC1 86882078 573678159 /nfs/dbraw/zinc/67/81/59/573678159.db2.gz VRTWBJIKLSBNNS-UHFFFAOYSA-N 0 3 137.226 1.850 20 0 ADADHN Fc1cccc(C=C2CNC2)c1 86881915 573678492 /nfs/dbraw/zinc/67/84/92/573678492.db2.gz OQKVLEQYCXXBIK-UHFFFAOYSA-N 0 3 163.195 1.812 20 0 ADADHN C[C@H]1CC[C@@H](NCc2ncnn2C)C1 122035975 573683673 /nfs/dbraw/zinc/68/36/73/573683673.db2.gz GBPWPSJLVXYQOY-DTWKUNHWSA-N 0 3 194.282 1.093 20 0 ADADHN CCCCCNCc1cc(C)n[nH]1 308420370 573684533 /nfs/dbraw/zinc/68/45/33/573684533.db2.gz OQEFVYBDKILJAG-UHFFFAOYSA-N 0 3 181.283 1.998 20 0 ADADHN C1CC2(C1)C[C@H](OC1CNC1)CCO2 86905280 573688420 /nfs/dbraw/zinc/68/84/20/573688420.db2.gz DEFGYQZGXTXSDW-SECBINFHSA-N 0 3 197.278 1.077 20 0 ADADHN C[C@H]1CC[C@H](NCc2ncnn2C)C1 122035537 573688607 /nfs/dbraw/zinc/68/86/07/573688607.db2.gz GBPWPSJLVXYQOY-IUCAKERBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H](N)C(=O)Nc1ccc(Cl)nc1 122111165 573699536 /nfs/dbraw/zinc/69/95/36/573699536.db2.gz SJIKUQZFNWZECV-RXMQYKEDSA-N 0 3 199.641 1.021 20 0 ADADHN Cc1cccc([C@H](C)NC(=O)CN)c1 83930489 573701209 /nfs/dbraw/zinc/70/12/09/573701209.db2.gz PHLDMBDULLGJQY-VIFPVBQESA-N 0 3 192.262 1.131 20 0 ADADHN FC(F)COCCN1CCCCC1 393552581 573701796 /nfs/dbraw/zinc/70/17/96/573701796.db2.gz VMDKRBVNIXHOMC-UHFFFAOYSA-N 0 3 193.237 1.754 20 0 ADADHN C[C@@H]1C[C@H](NCc2c[nH]cn2)CS1 86936319 573704391 /nfs/dbraw/zinc/70/43/91/573704391.db2.gz KPEAJSXWRDRNKY-SFYZADRCSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@@H]1C[C@H](NCc2cnc[nH]2)CS1 86936319 573704397 /nfs/dbraw/zinc/70/43/97/573704397.db2.gz KPEAJSXWRDRNKY-SFYZADRCSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H](N)c1cc(F)ccc1N 75845404 573707447 /nfs/dbraw/zinc/70/74/47/573707447.db2.gz JLTCGWBRNSZJIX-YFKPBYRVSA-N 0 3 154.188 1.428 20 0 ADADHN C=Cc1ccc([C@@H](N)[C@H](C)O)cc1 238490833 573709880 /nfs/dbraw/zinc/70/98/80/573709880.db2.gz CQTOCYBCTVVZNP-KWQFWETISA-N 0 3 177.247 1.710 20 0 ADADHN CCCn1cc(CNCC2CC2)nn1 130784194 573709960 /nfs/dbraw/zinc/70/99/60/573709960.db2.gz BZIKFXPKMQRDHV-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN CC1(C)CNC(C)(C)OC1 258512090 573716121 /nfs/dbraw/zinc/71/61/21/573716121.db2.gz MSALOWNRLGSZCJ-UHFFFAOYSA-N 0 3 143.230 1.369 20 0 ADADHN C[C@H](N[C@@H]1COC[C@H]1C)c1ccco1 687966107 573734501 /nfs/dbraw/zinc/73/45/01/573734501.db2.gz MNRJMASEYIVWHI-KXUCPTDWSA-N 0 3 195.262 1.965 20 0 ADADHN CCN(Cc1c[nH]nc1C)C(C)C 393559709 573741291 /nfs/dbraw/zinc/74/12/91/573741291.db2.gz YAKVYUCTRWALEX-UHFFFAOYSA-N 0 3 181.283 1.948 20 0 ADADHN CNc1ccccc1CNC[C@H](C)O 238341787 573752155 /nfs/dbraw/zinc/75/21/55/573752155.db2.gz IAXZXWQNCWEZIC-VIFPVBQESA-N 0 3 194.278 1.199 20 0 ADADHN CCCCN(CCCC)CC(N)=O 1626865 573759127 /nfs/dbraw/zinc/75/91/27/573759127.db2.gz INLXHJAERKAQSJ-UHFFFAOYSA-N 0 3 186.299 1.374 20 0 ADADHN c1nc(CN[C@H]2CCCOCC2)c[nH]1 84081041 573760794 /nfs/dbraw/zinc/76/07/94/573760794.db2.gz ITVORSCTDIXLCR-VIFPVBQESA-N 0 3 195.266 1.068 20 0 ADADHN C[C@@H]1C[C@H](NCc2c[nH]cn2)CCO1 84081012 573761085 /nfs/dbraw/zinc/76/10/85/573761085.db2.gz GTIGROWWYSKCPD-RKDXNWHRSA-N 0 3 195.266 1.067 20 0 ADADHN Cc1cccc(NCc2cnc[nH]2)n1 84081286 573761358 /nfs/dbraw/zinc/76/13/58/573761358.db2.gz YYMFEAGOCAZEKS-UHFFFAOYSA-N 0 3 188.234 1.725 20 0 ADADHN C[C@H]1C[C@H](NCc2c[nH]cn2)CCO1 84081013 573761911 /nfs/dbraw/zinc/76/19/11/573761911.db2.gz GTIGROWWYSKCPD-DTWKUNHWSA-N 0 3 195.266 1.067 20 0 ADADHN c1nc(CN[C@@H]2CCCSC2)c[nH]1 84081033 573762045 /nfs/dbraw/zinc/76/20/45/573762045.db2.gz XPAAKSHRJYTOSM-MRVPVSSYSA-N 0 3 197.307 1.395 20 0 ADADHN c1ncc(CN[C@@H]2CCCSC2)[nH]1 84081033 573762050 /nfs/dbraw/zinc/76/20/50/573762050.db2.gz XPAAKSHRJYTOSM-MRVPVSSYSA-N 0 3 197.307 1.395 20 0 ADADHN c1nc(CN[C@H]2CCSC2)c[nH]1 84080827 573763421 /nfs/dbraw/zinc/76/34/21/573763421.db2.gz FNTLILDDTNKTLW-ZETCQYMHSA-N 0 3 183.280 1.005 20 0 ADADHN c1ncc(CN[C@H]2CCSC2)[nH]1 84080827 573763426 /nfs/dbraw/zinc/76/34/26/573763426.db2.gz FNTLILDDTNKTLW-ZETCQYMHSA-N 0 3 183.280 1.005 20 0 ADADHN C[C@@H]1C[C@@H](NCc2c[nH]cn2)CCO1 84081014 573765455 /nfs/dbraw/zinc/76/54/55/573765455.db2.gz GTIGROWWYSKCPD-BDAKNGLRSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1C[C@@H](NCc2c[nH]cn2)CCO1 84081015 573765877 /nfs/dbraw/zinc/76/58/77/573765877.db2.gz GTIGROWWYSKCPD-IUCAKERBSA-N 0 3 195.266 1.067 20 0 ADADHN c1nc(CN[C@@H]2CCCOCC2)c[nH]1 84081040 573765954 /nfs/dbraw/zinc/76/59/54/573765954.db2.gz ITVORSCTDIXLCR-SECBINFHSA-N 0 3 195.266 1.068 20 0 ADADHN c1nc(CN[C@@H]2CCSC2)c[nH]1 84080826 573766008 /nfs/dbraw/zinc/76/60/08/573766008.db2.gz FNTLILDDTNKTLW-SSDOTTSWSA-N 0 3 183.280 1.005 20 0 ADADHN c1ncc(CN[C@@H]2CCSC2)[nH]1 84080826 573766014 /nfs/dbraw/zinc/76/60/14/573766014.db2.gz FNTLILDDTNKTLW-SSDOTTSWSA-N 0 3 183.280 1.005 20 0 ADADHN Clc1cnccc1COC1CNC1 84085422 573766774 /nfs/dbraw/zinc/76/67/74/573766774.db2.gz YRINEPMKIWKWRB-UHFFFAOYSA-N 0 3 198.653 1.223 20 0 ADADHN COCn1ncc(C)c1CNC(C)C 308719876 573771695 /nfs/dbraw/zinc/77/16/95/573771695.db2.gz CTOSFZMKJSQLHA-UHFFFAOYSA-N 0 3 197.282 1.293 20 0 ADADHN N[C@H]1Cc2cccc(Cl)c21 258422326 573771919 /nfs/dbraw/zinc/77/19/19/573771919.db2.gz CCDRHACEUZHRRR-ZETCQYMHSA-N 0 3 153.612 1.896 20 0 ADADHN CC(C)CN(C)c1ccnc(CO)c1 40877532 573772039 /nfs/dbraw/zinc/77/20/39/573772039.db2.gz ZLVOBTZOMOLYHO-UHFFFAOYSA-N 0 3 194.278 1.666 20 0 ADADHN CC(C)C[C@@H](C)CN(C)CC(N)=O 393590502 573789393 /nfs/dbraw/zinc/78/93/93/573789393.db2.gz NNVZFIJNJKGTEB-SECBINFHSA-N 0 3 186.299 1.086 20 0 ADADHN CCCCCCNC(=O)C(C)(C)N 40920954 573790169 /nfs/dbraw/zinc/79/01/69/573790169.db2.gz OTHIOMSGEQOHOU-UHFFFAOYSA-N 0 3 186.299 1.420 20 0 ADADHN Cc1ccoc1CN[C@@H](CO)C1CC1 308723534 573790180 /nfs/dbraw/zinc/79/01/80/573790180.db2.gz FJZJLPMRXFMSMH-JTQLQIEISA-N 0 3 195.262 1.449 20 0 ADADHN CC(C)C[C@H](C)CN(C)CC(N)=O 393590503 573791411 /nfs/dbraw/zinc/79/14/11/573791411.db2.gz NNVZFIJNJKGTEB-VIFPVBQESA-N 0 3 186.299 1.086 20 0 ADADHN Cc1ccoc1CN[C@H](CO)C1CC1 308723535 573791889 /nfs/dbraw/zinc/79/18/89/573791889.db2.gz FJZJLPMRXFMSMH-SNVBAGLBSA-N 0 3 195.262 1.449 20 0 ADADHN CCCCN(CC)Cn1cnnc1 308440801 573796337 /nfs/dbraw/zinc/79/63/37/573796337.db2.gz YVNQUYXZHVXSHX-UHFFFAOYSA-N 0 3 182.271 1.358 20 0 ADADHN CCN1CCC[C@H](OCCOC)C1 231536326 573797155 /nfs/dbraw/zinc/79/71/55/573797155.db2.gz SUNKGJFSMLVOEY-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CCCOC(=O)N(C)CCN(C)C 393563231 573798740 /nfs/dbraw/zinc/79/87/40/573798740.db2.gz DDBPFWDTJNZRKD-UHFFFAOYSA-N 0 3 188.271 1.026 20 0 ADADHN CCC(CC)OC1CNC1 87158061 573800786 /nfs/dbraw/zinc/80/07/86/573800786.db2.gz KJCXFJIQIMNHPA-UHFFFAOYSA-N 0 3 143.230 1.163 20 0 ADADHN CCNCc1c(Cl)c(C)nn1C 84270272 573816240 /nfs/dbraw/zinc/81/62/40/573816240.db2.gz MLLBECPMCJQPNB-UHFFFAOYSA-N 0 3 187.674 1.491 20 0 ADADHN CCCCNCc1cc(C)n[nH]1 41050789 573821572 /nfs/dbraw/zinc/82/15/72/573821572.db2.gz BHEJBPZNLXQTMX-UHFFFAOYSA-N 0 3 167.256 1.608 20 0 ADADHN CCCCN(C)Cc1cc(C)[nH]n1 308451689 573836581 /nfs/dbraw/zinc/83/65/81/573836581.db2.gz DPZXEPFCXNDPIN-UHFFFAOYSA-N 0 3 181.283 1.950 20 0 ADADHN FC1(F)CNCC12CCOCC2 257887240 573836615 /nfs/dbraw/zinc/83/66/15/573836615.db2.gz MSYBYASDPRCAQQ-UHFFFAOYSA-N 0 3 177.194 1.022 20 0 ADADHN CCCN(CC)C(=O)[C@@H](N)CC1CC1 308449932 573841200 /nfs/dbraw/zinc/84/12/00/573841200.db2.gz CARZWDHSMANNSY-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN OC1(c2ccccc2Cl)CNC1 84351365 573845048 /nfs/dbraw/zinc/84/50/48/573845048.db2.gz KLYWPENTGFWHOD-UHFFFAOYSA-N 0 3 183.638 1.131 20 0 ADADHN CCCCN(C)C(=O)[C@@H](N)CC1CC1 308452034 573845561 /nfs/dbraw/zinc/84/55/61/573845561.db2.gz CRWZNVVADBXVSO-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CCCCN(C)C(=O)[C@H](N)CC1CC1 308452036 573849885 /nfs/dbraw/zinc/84/98/85/573849885.db2.gz CRWZNVVADBXVSO-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CCCN1CC(O)(C(C)C)C1 84376670 573859877 /nfs/dbraw/zinc/85/98/77/573859877.db2.gz WHQJJZRNFPWHOB-UHFFFAOYSA-N 0 3 157.257 1.099 20 0 ADADHN CC(C)C1(O)CN(CC2CCC2)C1 84376739 573860552 /nfs/dbraw/zinc/86/05/52/573860552.db2.gz ZJYBOBJATFBTPQ-UHFFFAOYSA-N 0 3 183.295 1.489 20 0 ADADHN CC(C)C1(O)CN(CC2CCCC2)C1 84376661 573860617 /nfs/dbraw/zinc/86/06/17/573860617.db2.gz FIWYUFASYMUFOE-UHFFFAOYSA-N 0 3 197.322 1.879 20 0 ADADHN CC(C)N1CC(O)(C(C)C)C1 84376640 573862832 /nfs/dbraw/zinc/86/28/32/573862832.db2.gz WDRBDLVLXOJVIF-UHFFFAOYSA-N 0 3 157.257 1.098 20 0 ADADHN CC(C)C1(O)CN(C2CCCC2)C1 84376702 573863359 /nfs/dbraw/zinc/86/33/59/573863359.db2.gz AXWOHTOPBYWRJN-UHFFFAOYSA-N 0 3 183.295 1.632 20 0 ADADHN C[C@H](N[C@@H]1CCN(C)C1)c1ccoc1 87289998 573868507 /nfs/dbraw/zinc/86/85/07/573868507.db2.gz CNQWYRYIRDTLOY-GXSJLCMTSA-N 0 3 194.278 1.634 20 0 ADADHN Cc1cc(F)c2c(c1)OCC[C@@H]2N 238540810 573868209 /nfs/dbraw/zinc/86/82/09/573868209.db2.gz UMFHHJJCASBCSL-QMMMGPOBSA-N 0 3 181.210 1.916 20 0 ADADHN C/C=C/C(=O)NC[C@@H]1CCCCN1C 87333723 573880094 /nfs/dbraw/zinc/88/00/94/573880094.db2.gz NXEOQHCCIIQNGT-YVGDHZEHSA-N 0 3 196.294 1.163 20 0 ADADHN C1=CC[C@H](NCc2c[nH]cn2)CC1 80122758 573881574 /nfs/dbraw/zinc/88/15/74/573881574.db2.gz OQSOOMVEMGPPLJ-VIFPVBQESA-N 0 3 177.251 1.608 20 0 ADADHN C[C@H](O)[C@H](C)N(C)Cc1ccccn1 44133608 573881978 /nfs/dbraw/zinc/88/19/78/573881978.db2.gz LHXPBUUFXIDVLE-UWVGGRQHSA-N 0 3 194.278 1.283 20 0 ADADHN CCCC(=O)NC1(CN(C)C)CCC1 393568425 573882267 /nfs/dbraw/zinc/88/22/67/573882267.db2.gz GQKGFDVRNUITGJ-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN C/C=C/C(=O)NC[C@H]1CCCCN1C 87333724 573882519 /nfs/dbraw/zinc/88/25/19/573882519.db2.gz NXEOQHCCIIQNGT-QLCVYAKKSA-N 0 3 196.294 1.163 20 0 ADADHN C[C@H](O)[C@H](C)N(C)Cc1cccnc1 44134032 573884977 /nfs/dbraw/zinc/88/49/77/573884977.db2.gz LKDZNZCSRCNVBT-UWVGGRQHSA-N 0 3 194.278 1.283 20 0 ADADHN CCC[C@H](NC)c1ncc[nH]1 87341345 573887570 /nfs/dbraw/zinc/88/75/70/573887570.db2.gz RGEBUYBIHVKUCB-ZETCQYMHSA-N 0 3 153.229 1.470 20 0 ADADHN C[C@H](O)[C@@H](C)N(C)Cc1cccnc1 44134034 573887845 /nfs/dbraw/zinc/88/78/45/573887845.db2.gz LKDZNZCSRCNVBT-ZJUUUORDSA-N 0 3 194.278 1.283 20 0 ADADHN CCCN[C@H](C)c1ncc[nH]1 87342366 573888153 /nfs/dbraw/zinc/88/81/53/573888153.db2.gz HVXIPENRKRZURJ-SSDOTTSWSA-N 0 3 153.229 1.470 20 0 ADADHN CCN[C@H](CC)c1ncc[nH]1 87342072 573888627 /nfs/dbraw/zinc/88/86/27/573888627.db2.gz WZLXBGKXNFGUNT-SSDOTTSWSA-N 0 3 153.229 1.470 20 0 ADADHN CCCN[C@@H](C)c1ncc[nH]1 87342364 573888660 /nfs/dbraw/zinc/88/86/60/573888660.db2.gz HVXIPENRKRZURJ-ZETCQYMHSA-N 0 3 153.229 1.470 20 0 ADADHN CCC[C@@H](NC)c1ncc[nH]1 87341347 573889031 /nfs/dbraw/zinc/88/90/31/573889031.db2.gz RGEBUYBIHVKUCB-SSDOTTSWSA-N 0 3 153.229 1.470 20 0 ADADHN CCCN(CC1CC1)C(=O)CNCC 44293881 573897039 /nfs/dbraw/zinc/89/70/39/573897039.db2.gz LKFSOQRJWNFRGQ-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN c1cc(CNC2CSC2)ccn1 76604499 573897435 /nfs/dbraw/zinc/89/74/35/573897435.db2.gz DQCCIKRZEXYWLT-UHFFFAOYSA-N 0 3 180.276 1.287 20 0 ADADHN Cc1nc(COC2CNC2)sc1C 87391840 573903700 /nfs/dbraw/zinc/90/37/00/573903700.db2.gz WQNAIXWRMURPGW-UHFFFAOYSA-N 0 3 198.291 1.248 20 0 ADADHN CC[C@H](CO)NCc1cc(C)oc1C 127570487 573916375 /nfs/dbraw/zinc/91/63/75/573916375.db2.gz BLLRLIARUJHFQX-LLVKDONJSA-N 0 3 197.278 1.757 20 0 ADADHN CCN(C(=O)[C@H](N)CC1CC1)C1CC1 308463093 573919265 /nfs/dbraw/zinc/91/92/65/573919265.db2.gz GXSVGYUKTHUKRD-SNVBAGLBSA-N 0 3 196.294 1.125 20 0 ADADHN CCNCC(=O)N[C@H]1CCC[C@@H](C)C1 44647033 573919640 /nfs/dbraw/zinc/91/96/40/573919640.db2.gz XUQUAYSVUWPTDM-ZJUUUORDSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@@H](CO)NCc1cc(C)oc1C 127570263 573919650 /nfs/dbraw/zinc/91/96/50/573919650.db2.gz BLLRLIARUJHFQX-NSHDSACASA-N 0 3 197.278 1.757 20 0 ADADHN CCNCC(=O)N(CC)C1CCCC1 44647218 573919790 /nfs/dbraw/zinc/91/97/90/573919790.db2.gz ONFXBSGJRINRLS-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCNCC(=O)N(C)C[C@@H](C)CC 44647005 573921998 /nfs/dbraw/zinc/92/19/98/573921998.db2.gz RVZRGGYSXYEOFU-VIFPVBQESA-N 0 3 186.299 1.100 20 0 ADADHN CCNCC(=O)N[C@H](C)CC(C)C 44647055 573921642 /nfs/dbraw/zinc/92/16/42/573921642.db2.gz QHJNXGUUAPVACY-SECBINFHSA-N 0 3 186.299 1.147 20 0 ADADHN CCNCC(=O)N[C@@H](C)CC(C)C 44647053 573921724 /nfs/dbraw/zinc/92/17/24/573921724.db2.gz QHJNXGUUAPVACY-VIFPVBQESA-N 0 3 186.299 1.147 20 0 ADADHN CCNCC(=O)N(C)C[C@H](C)CC 44647003 573921889 /nfs/dbraw/zinc/92/18/89/573921889.db2.gz RVZRGGYSXYEOFU-SECBINFHSA-N 0 3 186.299 1.100 20 0 ADADHN CCNCC(=O)N(CC1CC1)C(C)C 44651625 573924604 /nfs/dbraw/zinc/92/46/04/573924604.db2.gz WFTYRVWDFVVNHD-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1cc(CN[C@H](C)CO)c(C)o1 127596141 573928802 /nfs/dbraw/zinc/92/88/02/573928802.db2.gz CVSNOMSBJMKNHG-SSDOTTSWSA-N 0 3 183.251 1.367 20 0 ADADHN c1nc(CNC[C@H]2CCCS2)c[nH]1 87473125 573929065 /nfs/dbraw/zinc/92/90/65/573929065.db2.gz ACCATBOFFRGFBY-SECBINFHSA-N 0 3 197.307 1.395 20 0 ADADHN c1ncc(CNC[C@H]2CCCS2)[nH]1 87473125 573929067 /nfs/dbraw/zinc/92/90/67/573929067.db2.gz ACCATBOFFRGFBY-SECBINFHSA-N 0 3 197.307 1.395 20 0 ADADHN CCCCOc1cnccc1N 216052655 573934850 /nfs/dbraw/zinc/93/48/50/573934850.db2.gz ILWBOMLIXWSKME-UHFFFAOYSA-N 0 3 166.224 1.843 20 0 ADADHN COC(CN(C)C1CCC1)OC 127623781 573934957 /nfs/dbraw/zinc/93/49/57/573934957.db2.gz OMZURWGBNZVOJM-UHFFFAOYSA-N 0 3 173.256 1.090 20 0 ADADHN CCN(CCO)Cc1cc(C)oc1C 127965918 573980942 /nfs/dbraw/zinc/98/09/42/573980942.db2.gz ZMLRMVVODOTPFC-UHFFFAOYSA-N 0 3 197.278 1.711 20 0 ADADHN COc1cc2c(cc1F)[C@@H](N)CCO2 104487279 574003354 /nfs/dbraw/zinc/00/33/54/574003354.db2.gz DVIXTWAVZVXODY-QMMMGPOBSA-N 0 3 197.209 1.617 20 0 ADADHN COc1cc2c(cc1F)OCC[C@@H]2N 104485625 574006336 /nfs/dbraw/zinc/00/63/36/574006336.db2.gz NPXIOWQKCYOJLM-QMMMGPOBSA-N 0 3 197.209 1.617 20 0 ADADHN CSc1ccccc1[C@H](N)[C@@H](C)O 104490601 574009089 /nfs/dbraw/zinc/00/90/89/574009089.db2.gz NPCXYJUMAXOZMY-GMSGAONNSA-N 0 3 197.303 1.789 20 0 ADADHN C1CCCC(OC2CNC2)CC1 112068611 574031277 /nfs/dbraw/zinc/03/12/77/574031277.db2.gz QLXLRKGCBYPXLW-UHFFFAOYSA-N 0 3 169.268 1.698 20 0 ADADHN Cc1ccc(CN[C@@H]2CC[C@H]2O)cn1 306957463 574035223 /nfs/dbraw/zinc/03/52/23/574035223.db2.gz TWNSEVJYDFSOIW-GHMZBOCLSA-N 0 3 192.262 1.003 20 0 ADADHN Nc1ccsc1CN[C@H]1CCOC1 87784819 574036123 /nfs/dbraw/zinc/03/61/23/574036123.db2.gz QAGGAXHBADZZMJ-ZETCQYMHSA-N 0 3 198.291 1.209 20 0 ADADHN CCC(CC)C(=O)NCCN(C)C 11639029 486710483 /nfs/dbraw/zinc/71/04/83/486710483.db2.gz ZQHCDQIIVPXNGV-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CC(=O)N[C@H]1CCCN2CCCC[C@H]12 13357475 486711104 /nfs/dbraw/zinc/71/11/04/486711104.db2.gz ZFOJLLQHJIXKHO-WDEREUQCSA-N 0 3 196.294 1.139 20 0 ADADHN CCCN(C)C(=O)[C@@H](N)[C@@H](C)CC 13529492 486711116 /nfs/dbraw/zinc/71/11/16/486711116.db2.gz MLYFFGHKVNCDOW-IUCAKERBSA-N 0 3 186.299 1.228 20 0 ADADHN CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 14420479 486711157 /nfs/dbraw/zinc/71/11/57/486711157.db2.gz ZFOJLLQHJIXKHO-MNOVXSKESA-N 0 3 196.294 1.139 20 0 ADADHN CCCN(C1CC1)C1COC1 17751947 486711622 /nfs/dbraw/zinc/71/16/22/486711622.db2.gz NBZPPQTVWJBKIK-UHFFFAOYSA-N 0 3 155.241 1.260 20 0 ADADHN CCC(CC)NC(=O)[C@H]1CCCCN1 19408830 486712377 /nfs/dbraw/zinc/71/23/77/486712377.db2.gz VVOFFNUABGUZGB-SNVBAGLBSA-N 0 3 198.310 1.433 20 0 ADADHN CCCCN(CCCC)C(=O)CN 20364083 486714253 /nfs/dbraw/zinc/71/42/53/486714253.db2.gz RXUWVKQHVHSLOY-UHFFFAOYSA-N 0 3 186.299 1.374 20 0 ADADHN C[C@H](N[C@H](C)CO)c1cccc(O)c1 35602953 486716080 /nfs/dbraw/zinc/71/60/80/486716080.db2.gz ZYJWHQVUMPOUHW-BDAKNGLRSA-N 0 3 195.262 1.424 20 0 ADADHN C[C@H](O)CN[C@H](C)c1cccc(O)c1 35601817 486716331 /nfs/dbraw/zinc/71/63/31/486716331.db2.gz JLIOBGDULGCLID-DTWKUNHWSA-N 0 3 195.262 1.424 20 0 ADADHN C[C@H](CO)N[C@H](C)c1cccc(O)c1 35602957 486716427 /nfs/dbraw/zinc/71/64/27/486716427.db2.gz ZYJWHQVUMPOUHW-RKDXNWHRSA-N 0 3 195.262 1.424 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1cccc(O)c1 35601815 486716513 /nfs/dbraw/zinc/71/65/13/486716513.db2.gz JLIOBGDULGCLID-IUCAKERBSA-N 0 3 195.262 1.424 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1cccc(O)c1 35601816 486716556 /nfs/dbraw/zinc/71/65/56/486716556.db2.gz JLIOBGDULGCLID-BDAKNGLRSA-N 0 3 195.262 1.424 20 0 ADADHN CC[C@H](C)N(C)C(=O)[C@@H](N)C(C)C 37110299 486717823 /nfs/dbraw/zinc/71/78/23/486717823.db2.gz VQBCVXVLODTIHI-IUCAKERBSA-N 0 3 186.299 1.227 20 0 ADADHN CC[C@@H](N)C(=O)N(CC)[C@H](C)CC 36871623 486717842 /nfs/dbraw/zinc/71/78/42/486717842.db2.gz QNUXIHWVYLKZNX-RKDXNWHRSA-N 0 3 186.299 1.371 20 0 ADADHN CC[C@@H](C)N(C)C(=O)[C@@H](N)C(C)C 37110298 486717870 /nfs/dbraw/zinc/71/78/70/486717870.db2.gz VQBCVXVLODTIHI-BDAKNGLRSA-N 0 3 186.299 1.227 20 0 ADADHN CC[C@H](C)N(CC)C(=O)[C@H](N)CC 36871624 486718042 /nfs/dbraw/zinc/71/80/42/486718042.db2.gz QNUXIHWVYLKZNX-DTWKUNHWSA-N 0 3 186.299 1.371 20 0 ADADHN CC[C@H](N)C(=O)N(CC)[C@H](C)CC 36871625 486718433 /nfs/dbraw/zinc/71/84/33/486718433.db2.gz QNUXIHWVYLKZNX-BDAKNGLRSA-N 0 3 186.299 1.371 20 0 ADADHN CCCN(C(=O)[C@@H](N)C(C)C)C1CC1 37097411 486718502 /nfs/dbraw/zinc/71/85/02/486718502.db2.gz MOAXZTKEAWKLIO-JTQLQIEISA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N(CC)[C@@H](C)CC 36871626 486718504 /nfs/dbraw/zinc/71/85/04/486718504.db2.gz QNUXIHWVYLKZNX-IUCAKERBSA-N 0 3 186.299 1.371 20 0 ADADHN CC[C@H](C)N(CC)C(=O)CNC1CC1 37476939 486719732 /nfs/dbraw/zinc/71/97/32/486719732.db2.gz IOBOOGSGRVPHNG-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN Cc1nc(CNCC2CC2)[nH]c1C 37478674 486719753 /nfs/dbraw/zinc/71/97/53/486719753.db2.gz FALKMHPMTCWASJ-UHFFFAOYSA-N 0 3 179.267 1.526 20 0 ADADHN CC[C@@H](C)NCc1nc(C)c[nH]1 37480019 486719779 /nfs/dbraw/zinc/71/97/79/486719779.db2.gz KISNIQUPHYJCBO-SSDOTTSWSA-N 0 3 167.256 1.606 20 0 ADADHN CC[C@@H](C)N(C)C(=O)CNC(C)C 37654674 486719812 /nfs/dbraw/zinc/71/98/12/486719812.db2.gz SYJZPDTUUNJPCP-SECBINFHSA-N 0 3 186.299 1.241 20 0 ADADHN CC[C@@H](C)NCc1nc(C)c(C)[nH]1 37480015 486719930 /nfs/dbraw/zinc/71/99/30/486719930.db2.gz GNNSAUDFPRDKGB-SSDOTTSWSA-N 0 3 181.283 1.915 20 0 ADADHN Cc1c[nH]c(CNCC2CC2)n1 37478666 486719939 /nfs/dbraw/zinc/71/99/39/486719939.db2.gz IHDXTUUZXIZAAJ-UHFFFAOYSA-N 0 3 165.240 1.218 20 0 ADADHN Cc1nc(CNC(C)C)[nH]c1C 37477346 486719999 /nfs/dbraw/zinc/71/99/99/486719999.db2.gz URANEVVILHKYAU-UHFFFAOYSA-N 0 3 167.256 1.525 20 0 ADADHN CC(C)NCC(=O)N(C)[C@H](C)C1CC1 37477176 486720021 /nfs/dbraw/zinc/72/00/21/486720021.db2.gz XYTYTJRSONKWAR-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C)N(CC)C(=O)CNC1CC1 37476938 486720104 /nfs/dbraw/zinc/72/01/04/486720104.db2.gz IOBOOGSGRVPHNG-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)NCC(=O)N(C)[C@@H](C)C1CC1 37477175 486720157 /nfs/dbraw/zinc/72/01/57/486720157.db2.gz XYTYTJRSONKWAR-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CN(C)C(=O)CNC(C)C 37477117 486720221 /nfs/dbraw/zinc/72/02/21/486720221.db2.gz VHDWLBLZIAVWOP-UHFFFAOYSA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)NCC(=O)N(C)C1CCCC1 37654673 486720226 /nfs/dbraw/zinc/72/02/26/486720226.db2.gz BQRNEPDJTXSTCW-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN Cc1c[nH]c(CNC2CCCC2)n1 37482523 486720276 /nfs/dbraw/zinc/72/02/76/486720276.db2.gz DLTVPCHQNLJJRK-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN CC(C)NCC(=O)NCC1CCCC1 37477126 486720288 /nfs/dbraw/zinc/72/02/88/486720288.db2.gz BTQHOTCFCPAGBL-UHFFFAOYSA-N 0 3 198.310 1.291 20 0 ADADHN CCCN(C(=O)CNC(C)C)C1CC1 37477115 486720297 /nfs/dbraw/zinc/72/02/97/486720297.db2.gz HESAISHHNDDYER-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C)NCc1nc(C)c[nH]1 37480020 486720537 /nfs/dbraw/zinc/72/05/37/486720537.db2.gz KISNIQUPHYJCBO-ZETCQYMHSA-N 0 3 167.256 1.606 20 0 ADADHN CC[C@H](C)N(C)C(=O)CNC(C)C 37654675 486720543 /nfs/dbraw/zinc/72/05/43/486720543.db2.gz SYJZPDTUUNJPCP-VIFPVBQESA-N 0 3 186.299 1.241 20 0 ADADHN CCCN(CC)C(=O)CNC(C)C 37477113 486720562 /nfs/dbraw/zinc/72/05/62/486720562.db2.gz WDEUPNJQPVGAEE-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CC[C@H](C)NCc1nc(C)c(C)[nH]1 37480016 486720510 /nfs/dbraw/zinc/72/05/10/486720510.db2.gz GNNSAUDFPRDKGB-ZETCQYMHSA-N 0 3 181.283 1.915 20 0 ADADHN CC[C@@H](O)CNCc1ccc(F)cc1 37688555 486720771 /nfs/dbraw/zinc/72/07/71/486720771.db2.gz XMSBKPZASLUNFT-LLVKDONJSA-N 0 3 197.253 1.686 20 0 ADADHN CC[C@@H](O)CNCc1cccc(F)c1 37688673 486720819 /nfs/dbraw/zinc/72/08/19/486720819.db2.gz SNEWFLFOTXKJRZ-LLVKDONJSA-N 0 3 197.253 1.686 20 0 ADADHN CC[C@H](O)CNCc1ccccc1F 37688564 486720872 /nfs/dbraw/zinc/72/08/72/486720872.db2.gz DUHFPEZRAHDUEE-JTQLQIEISA-N 0 3 197.253 1.686 20 0 ADADHN CC[C@H](O)CNCc1ccco1 37688628 486720877 /nfs/dbraw/zinc/72/08/77/486720877.db2.gz PALHBQMQQNNDPR-QMMMGPOBSA-N 0 3 169.224 1.140 20 0 ADADHN CC[C@@H](O)CNCc1ccccc1F 37688565 486720895 /nfs/dbraw/zinc/72/08/95/486720895.db2.gz DUHFPEZRAHDUEE-SNVBAGLBSA-N 0 3 197.253 1.686 20 0 ADADHN CC[C@H](O)CNCc1ccc(F)cc1 37688554 486721099 /nfs/dbraw/zinc/72/10/99/486721099.db2.gz XMSBKPZASLUNFT-NSHDSACASA-N 0 3 197.253 1.686 20 0 ADADHN CC[C@H](O)CNCc1cccc(F)c1 37688672 486721243 /nfs/dbraw/zinc/72/12/43/486721243.db2.gz SNEWFLFOTXKJRZ-NSHDSACASA-N 0 3 197.253 1.686 20 0 ADADHN CC[C@@H](O)CNCc1ccco1 37688629 486721327 /nfs/dbraw/zinc/72/13/27/486721327.db2.gz PALHBQMQQNNDPR-MRVPVSSYSA-N 0 3 169.224 1.140 20 0 ADADHN CCCN1CCN(CCC)CC1 39113745 486723310 /nfs/dbraw/zinc/72/33/10/486723310.db2.gz IVMKBBDVVDYGPS-UHFFFAOYSA-N 0 3 170.300 1.424 20 0 ADADHN CCn1nncc1CNC[C@H]1C[C@H]1C 669526166 486723397 /nfs/dbraw/zinc/72/33/97/486723397.db2.gz LCSALILWJSXDNN-RKDXNWHRSA-N 0 3 194.282 1.044 20 0 ADADHN CCn1nncc1CNC[C@H]1C[C@@H]1C 669526164 486723426 /nfs/dbraw/zinc/72/34/26/486723426.db2.gz LCSALILWJSXDNN-DTWKUNHWSA-N 0 3 194.282 1.044 20 0 ADADHN CCCCCNCc1cnnn1CC 669523405 486723437 /nfs/dbraw/zinc/72/34/37/486723437.db2.gz MCXVJWQXUCKFHI-UHFFFAOYSA-N 0 3 196.298 1.578 20 0 ADADHN CCn1nncc1CN[C@H]1CC1(C)C 669528843 486723474 /nfs/dbraw/zinc/72/34/74/486723474.db2.gz JNXUPGBDXSDNJY-VIFPVBQESA-N 0 3 194.282 1.186 20 0 ADADHN CCC(CC)NC(=O)C(C)(C)N 40912418 486723523 /nfs/dbraw/zinc/72/35/23/486723523.db2.gz CRYSTEKMMZCWFT-UHFFFAOYSA-N 0 3 172.272 1.029 20 0 ADADHN CCn1nncc1CNCC(C)(C)C 669530725 486723539 /nfs/dbraw/zinc/72/35/39/486723539.db2.gz OBLDBWPGWDCMHD-UHFFFAOYSA-N 0 3 196.298 1.434 20 0 ADADHN CCn1nncc1CN[C@@H]1CC1(C)C 669528842 486723548 /nfs/dbraw/zinc/72/35/48/486723548.db2.gz JNXUPGBDXSDNJY-SECBINFHSA-N 0 3 194.282 1.186 20 0 ADADHN CC[C@H](C)NCc1cnnn1CC 669523807 486723604 /nfs/dbraw/zinc/72/36/04/486723604.db2.gz ZMRSYUFHSMVRBC-QMMMGPOBSA-N 0 3 182.271 1.186 20 0 ADADHN CCC[C@H](C)NCc1cnnn1CC 669524105 486723613 /nfs/dbraw/zinc/72/36/13/486723613.db2.gz YICPPCGXFDQKAI-VIFPVBQESA-N 0 3 196.298 1.576 20 0 ADADHN CCn1nncc1CN[C@H](C)C1CC1 669524167 486723621 /nfs/dbraw/zinc/72/36/21/486723621.db2.gz PGQSKTUAPFYIGI-MRVPVSSYSA-N 0 3 194.282 1.186 20 0 ADADHN Cc1cc(CNCC2CC2)n(C)n1 41050865 486723626 /nfs/dbraw/zinc/72/36/26/486723626.db2.gz GSUIULDMMYJEQF-UHFFFAOYSA-N 0 3 179.267 1.228 20 0 ADADHN CCn1nncc1CNC[C@@H]1C[C@@H]1C 669526165 486723703 /nfs/dbraw/zinc/72/37/03/486723703.db2.gz LCSALILWJSXDNN-IUCAKERBSA-N 0 3 194.282 1.044 20 0 ADADHN CCC(CC)NCc1cnnn1CC 669522742 486723801 /nfs/dbraw/zinc/72/38/01/486723801.db2.gz HFUWIABKAQGAJE-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CCCCNCc1cnnn1CC 669524729 486723794 /nfs/dbraw/zinc/72/37/94/486723794.db2.gz HVCRJEPTFXBRNZ-UHFFFAOYSA-N 0 3 182.271 1.188 20 0 ADADHN CCn1nncc1CNCCC(C)C 669523360 486723813 /nfs/dbraw/zinc/72/38/13/486723813.db2.gz JVMOCUYNGVDLMU-UHFFFAOYSA-N 0 3 196.298 1.434 20 0 ADADHN Cc1cc(CNCC(C)C)on1 41042189 486723825 /nfs/dbraw/zinc/72/38/25/486723825.db2.gz YCBCESZNQXYVPH-UHFFFAOYSA-N 0 3 168.240 1.729 20 0 ADADHN CCC[C@@H](C)NCc1cnnn1CC 669524104 486723831 /nfs/dbraw/zinc/72/38/31/486723831.db2.gz YICPPCGXFDQKAI-SECBINFHSA-N 0 3 196.298 1.576 20 0 ADADHN CC[C@@H](C)NCc1cnnn1CC 669523806 486723910 /nfs/dbraw/zinc/72/39/10/486723910.db2.gz ZMRSYUFHSMVRBC-MRVPVSSYSA-N 0 3 182.271 1.186 20 0 ADADHN CCn1nncc1CNCC1CCC1 669531857 486723919 /nfs/dbraw/zinc/72/39/19/486723919.db2.gz NVIQXCLSXPZNCJ-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN CC(C)NCC(=O)NCC(C)(C)C 40494440 486723924 /nfs/dbraw/zinc/72/39/24/486723924.db2.gz RDKBSNPVYKLNDD-UHFFFAOYSA-N 0 3 186.299 1.147 20 0 ADADHN CCn1nncc1CN[C@@H](C)C1CC1 669524168 486723929 /nfs/dbraw/zinc/72/39/29/486723929.db2.gz PGQSKTUAPFYIGI-QMMMGPOBSA-N 0 3 194.282 1.186 20 0 ADADHN CCn1nncc1CNC[C@@H]1C[C@H]1C 669526163 486723943 /nfs/dbraw/zinc/72/39/43/486723943.db2.gz LCSALILWJSXDNN-BDAKNGLRSA-N 0 3 194.282 1.044 20 0 ADADHN CCn1nncc1CN[C@@H](C)C(C)C 669523915 486723953 /nfs/dbraw/zinc/72/39/53/486723953.db2.gz JAHFUVWYXFIVJM-VIFPVBQESA-N 0 3 196.298 1.432 20 0 ADADHN CCn1nncc1CN[C@H](C)C(C)C 669523914 486724029 /nfs/dbraw/zinc/72/40/29/486724029.db2.gz JAHFUVWYXFIVJM-SECBINFHSA-N 0 3 196.298 1.432 20 0 ADADHN CCn1nncc1CNC1CCCC1 669522765 486724055 /nfs/dbraw/zinc/72/40/55/486724055.db2.gz KAWUEKUXPFXJQU-UHFFFAOYSA-N 0 3 194.282 1.330 20 0 ADADHN CC(C)C[C@H](C)NC(=O)C(C)(C)N 40920601 486724124 /nfs/dbraw/zinc/72/41/24/486724124.db2.gz BJCBWRRQNMSHSX-QMMMGPOBSA-N 0 3 186.299 1.275 20 0 ADADHN CC(C)CCCNC(=O)C(C)(C)N 40924356 486724131 /nfs/dbraw/zinc/72/41/31/486724131.db2.gz ZCQPTQDHWYEVRO-UHFFFAOYSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@H](C)CN(C)C(=O)C(C)(C)N 40920574 486724347 /nfs/dbraw/zinc/72/43/47/486724347.db2.gz HUOIFMSJXMQPLD-QMMMGPOBSA-N 0 3 186.299 1.228 20 0 ADADHN CCn1nncc1CNC1(C)CCC1 669550831 486724546 /nfs/dbraw/zinc/72/45/46/486724546.db2.gz LZKMJKPJUDIJNZ-UHFFFAOYSA-N 0 3 194.282 1.330 20 0 ADADHN CCn1nncc1CNC1CC(C)C1 669545762 486724652 /nfs/dbraw/zinc/72/46/52/486724652.db2.gz DMSJPHCCOTUYRU-UHFFFAOYSA-N 0 3 194.282 1.186 20 0 ADADHN CCn1nncc1CNCC1(C)CC1 669545579 486724725 /nfs/dbraw/zinc/72/47/25/486724725.db2.gz PAZYOAUSXIJRNY-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN CCn1nncc1CNCCC1CC1 669545340 486725009 /nfs/dbraw/zinc/72/50/09/486725009.db2.gz RLUPRISVQOTKDO-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN CCn1nncc1CNC1(CC)CC1 669570196 486725331 /nfs/dbraw/zinc/72/53/31/486725331.db2.gz QEGUWOUACKATPG-UHFFFAOYSA-N 0 3 194.282 1.330 20 0 ADADHN CC[C@H](C)[C@@H](C)NC(=O)C(C)(C)N 42558545 486726321 /nfs/dbraw/zinc/72/63/21/486726321.db2.gz UIVNYNUDYXODJT-JGVFFNPUSA-N 0 3 186.299 1.275 20 0 ADADHN C[C@@H]1CN(Cc2ncc[nH]2)[C@@H](C)[C@H]1C 669575848 486726285 /nfs/dbraw/zinc/72/62/85/486726285.db2.gz GKEXNIKLFBHJOI-UTLUCORTSA-N 0 3 193.294 1.886 20 0 ADADHN CC[C@@H](C)[C@@H](C)NC(=O)C(C)(C)N 42558542 486726503 /nfs/dbraw/zinc/72/65/03/486726503.db2.gz UIVNYNUDYXODJT-HTQZYQBOSA-N 0 3 186.299 1.275 20 0 ADADHN C[C@@H]1CN(Cc2ncc[nH]2)[C@H](C)[C@H]1C 669575846 486726693 /nfs/dbraw/zinc/72/66/93/486726693.db2.gz GKEXNIKLFBHJOI-KXUCPTDWSA-N 0 3 193.294 1.886 20 0 ADADHN C[C@H]1CCC[C@@H](N(C)C(=O)[C@H](C)N)C1 42494928 486726995 /nfs/dbraw/zinc/72/69/95/486726995.db2.gz HBRQIKFFDGRZQI-LPEHRKFASA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H]1CN(Cc2ncc[nH]2)[C@H](C)[C@@H]1C 669575847 486727061 /nfs/dbraw/zinc/72/70/61/486727061.db2.gz GKEXNIKLFBHJOI-OPRDCNLKSA-N 0 3 193.294 1.886 20 0 ADADHN C[C@H]1CCC[C@H](N(C)C(=O)[C@H](C)N)C1 42494924 486727140 /nfs/dbraw/zinc/72/71/40/486727140.db2.gz HBRQIKFFDGRZQI-GUBZILKMSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H]1CN(Cc2ncc[nH]2)[C@@H](C)[C@@H]1C 669575845 486727160 /nfs/dbraw/zinc/72/71/60/486727160.db2.gz GKEXNIKLFBHJOI-BBBLOLIVSA-N 0 3 193.294 1.886 20 0 ADADHN CN(CCCO)Cc1cccc(N)c1 43444331 486727181 /nfs/dbraw/zinc/72/71/81/486727181.db2.gz XQRMTIUXCKGGCY-UHFFFAOYSA-N 0 3 194.278 1.083 20 0 ADADHN CC[C@@H](C)[C@H](C)NC(=O)C(C)(C)N 42558548 486727394 /nfs/dbraw/zinc/72/73/94/486727394.db2.gz UIVNYNUDYXODJT-SFYZADRCSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)[C@H](C)NC(=O)C(C)(C)N 42558551 486727503 /nfs/dbraw/zinc/72/75/03/486727503.db2.gz UIVNYNUDYXODJT-YUMQZZPRSA-N 0 3 186.299 1.275 20 0 ADADHN CN(CC(C)(C)C)C(=O)C(C)(C)N 45087959 486729249 /nfs/dbraw/zinc/72/92/49/486729249.db2.gz RIYXRPPYCVDGHJ-UHFFFAOYSA-N 0 3 186.299 1.228 20 0 ADADHN CCCN(CCO)Cc1cccs1 49137974 486730933 /nfs/dbraw/zinc/73/09/33/486730933.db2.gz LTIWJBNIBOSFTO-UHFFFAOYSA-N 0 3 199.319 1.952 20 0 ADADHN CCC[C@H](C)N(C)[C@@H]1CCN(C)C1=O 669690231 486731435 /nfs/dbraw/zinc/73/14/35/486731435.db2.gz TZIFXNOEFFWYBV-VHSXEESVSA-N 0 3 198.310 1.338 20 0 ADADHN COCCN(C)CCOCC(C)C 669688553 486731466 /nfs/dbraw/zinc/73/14/66/486731466.db2.gz JUMLDMQONFTCOJ-UHFFFAOYSA-N 0 3 189.299 1.237 20 0 ADADHN CCC[C@H](C)N(C)Cc1n[nH]c(C)n1 669691440 486731516 /nfs/dbraw/zinc/73/15/16/486731516.db2.gz YFHCGNUPGLYVBX-QMMMGPOBSA-N 0 3 196.298 1.734 20 0 ADADHN CCC[C@@H](C)N(C)[C@@H]1CCN(C)C1=O 669690229 486731669 /nfs/dbraw/zinc/73/16/69/486731669.db2.gz TZIFXNOEFFWYBV-NXEZZACHSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)COCCN(C)C1CC1 669688495 486731690 /nfs/dbraw/zinc/73/16/90/486731690.db2.gz XMYXWWDSFAOJMV-UHFFFAOYSA-N 0 3 171.284 1.753 20 0 ADADHN CCC[C@@H](C)N(C)[C@H]1CCN(C)C1=O 669690232 486731877 /nfs/dbraw/zinc/73/18/77/486731877.db2.gz TZIFXNOEFFWYBV-ZJUUUORDSA-N 0 3 198.310 1.338 20 0 ADADHN CCC[C@@H](C)N(C)Cc1n[nH]c(C)n1 669691439 486731942 /nfs/dbraw/zinc/73/19/42/486731942.db2.gz YFHCGNUPGLYVBX-MRVPVSSYSA-N 0 3 196.298 1.734 20 0 ADADHN CCC[C@H](C)N(C)[C@H]1CCN(C)C1=O 669690230 486732074 /nfs/dbraw/zinc/73/20/74/486732074.db2.gz TZIFXNOEFFWYBV-UWVGGRQHSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)COCCN1CC=CCC1 669692098 486732396 /nfs/dbraw/zinc/73/23/96/486732396.db2.gz PIJKPCQLZPRRAM-UHFFFAOYSA-N 0 3 183.295 1.921 20 0 ADADHN Cc1ccc(C)c(CN(C)CCO)c1 49633740 486733192 /nfs/dbraw/zinc/73/31/92/486733192.db2.gz FLCIQNRUODRBNN-UHFFFAOYSA-N 0 3 193.290 1.728 20 0 ADADHN CCC[C@H](C)N1CCc2nn[nH]c2C1 669693579 486732738 /nfs/dbraw/zinc/73/27/38/486732738.db2.gz POQAINLNGZAENB-QMMMGPOBSA-N 0 3 194.282 1.351 20 0 ADADHN CCC[C@H](C)N1CCc2n[nH]nc2C1 669693579 486732742 /nfs/dbraw/zinc/73/27/42/486732742.db2.gz POQAINLNGZAENB-QMMMGPOBSA-N 0 3 194.282 1.351 20 0 ADADHN CCC[C@@H](C)N1CCc2nn[nH]c2C1 669693578 486732818 /nfs/dbraw/zinc/73/28/18/486732818.db2.gz POQAINLNGZAENB-MRVPVSSYSA-N 0 3 194.282 1.351 20 0 ADADHN CCC[C@@H](C)N1CCc2n[nH]nc2C1 669693578 486732822 /nfs/dbraw/zinc/73/28/22/486732822.db2.gz POQAINLNGZAENB-MRVPVSSYSA-N 0 3 194.282 1.351 20 0 ADADHN C[C@@H](c1cccs1)N(C)CCO 49728082 486733318 /nfs/dbraw/zinc/73/33/18/486733318.db2.gz CVXHLXLLEPOGCS-QMMMGPOBSA-N 0 3 185.292 1.733 20 0 ADADHN Cc1cc(C)cc(CN(C)CCO)c1 49633875 486733385 /nfs/dbraw/zinc/73/33/85/486733385.db2.gz NEMPPCFVRHCOAO-UHFFFAOYSA-N 0 3 193.290 1.728 20 0 ADADHN Cc1cc(CN[C@H](C)CO)c(C)s1 49685649 486733426 /nfs/dbraw/zinc/73/34/26/486733426.db2.gz KZNAMHDJBRJQHZ-SSDOTTSWSA-N 0 3 199.319 1.835 20 0 ADADHN Cc1cc(CN[C@@H](C)CO)c(C)s1 49685648 486733661 /nfs/dbraw/zinc/73/36/61/486733661.db2.gz KZNAMHDJBRJQHZ-ZETCQYMHSA-N 0 3 199.319 1.835 20 0 ADADHN CC(C)C[C@H](C)NCc1ncc[nH]1 49714835 486733678 /nfs/dbraw/zinc/73/36/78/486733678.db2.gz HYHCPMTWJOBJSA-VIFPVBQESA-N 0 3 181.283 1.934 20 0 ADADHN Cc1cc(CNCCO)c(C)s1 49685511 486733939 /nfs/dbraw/zinc/73/39/39/486733939.db2.gz KJNYTHYFZARQAP-UHFFFAOYSA-N 0 3 185.292 1.447 20 0 ADADHN Cc1cc(CNC[C@@H](C)O)c(C)s1 49685638 486734132 /nfs/dbraw/zinc/73/41/32/486734132.db2.gz LFEXZKMSIXWLOB-SSDOTTSWSA-N 0 3 199.319 1.835 20 0 ADADHN C[C@H](c1cccs1)N(C)CCO 49728085 486734242 /nfs/dbraw/zinc/73/42/42/486734242.db2.gz CVXHLXLLEPOGCS-MRVPVSSYSA-N 0 3 185.292 1.733 20 0 ADADHN CC(C)C[C@@H](C)NCc1ncc[nH]1 49714834 486734255 /nfs/dbraw/zinc/73/42/55/486734255.db2.gz HYHCPMTWJOBJSA-SECBINFHSA-N 0 3 181.283 1.934 20 0 ADADHN CN(CCO)CCc1ccc(F)cc1 49811767 486734904 /nfs/dbraw/zinc/73/49/04/486734904.db2.gz OIPZUJUYMYZDOC-UHFFFAOYSA-N 0 3 197.253 1.292 20 0 ADADHN CCCN(C)Cc1ccc(OC)nn1 669928315 486735252 /nfs/dbraw/zinc/73/52/52/486735252.db2.gz XLQZQIXMQCBALZ-UHFFFAOYSA-N 0 3 195.266 1.327 20 0 ADADHN CN(CCO)CCc1ccccc1F 49811766 486735596 /nfs/dbraw/zinc/73/55/96/486735596.db2.gz VOFQHCHCJYPVBX-UHFFFAOYSA-N 0 3 197.253 1.292 20 0 ADADHN CCCCCN(CC(N)=O)C(C)C 49802002 486735732 /nfs/dbraw/zinc/73/57/32/486735732.db2.gz ZAEFYMHFXXYFBI-UHFFFAOYSA-N 0 3 186.299 1.372 20 0 ADADHN CCCN(CCO)Cc1ccc(C)o1 50106312 486736100 /nfs/dbraw/zinc/73/61/00/486736100.db2.gz KQQTZFDSEFSUQR-UHFFFAOYSA-N 0 3 197.278 1.792 20 0 ADADHN CN(CCc1ccnn1C)C1CC1 670072533 486736254 /nfs/dbraw/zinc/73/62/54/486736254.db2.gz DIOOCVHUAWEJCN-UHFFFAOYSA-N 0 3 179.267 1.057 20 0 ADADHN Cn1nccc1CCN1CC=CCC1 670085336 486736414 /nfs/dbraw/zinc/73/64/14/486736414.db2.gz KAMKXIOESXTGLM-UHFFFAOYSA-N 0 3 191.278 1.225 20 0 ADADHN CCCN(CCO)Cc1ccncc1 49826660 486736591 /nfs/dbraw/zinc/73/65/91/486736591.db2.gz YMBDTBQUVFUJLH-UHFFFAOYSA-N 0 3 194.278 1.286 20 0 ADADHN Cc1ccc(CN(CCO)C(C)C)o1 50103722 486736607 /nfs/dbraw/zinc/73/66/07/486736607.db2.gz BENFPRLWFLBLRO-UHFFFAOYSA-N 0 3 197.278 1.791 20 0 ADADHN Cc1ccc(CN(C)CCO)cc1C 50104665 486737090 /nfs/dbraw/zinc/73/70/90/486737090.db2.gz LTYAIEDRRDNRTK-UHFFFAOYSA-N 0 3 193.290 1.728 20 0 ADADHN CCCN(CCO)Cc1ccco1 50106311 486737184 /nfs/dbraw/zinc/73/71/84/486737184.db2.gz JPAAJZAXYZQHLC-UHFFFAOYSA-N 0 3 183.251 1.484 20 0 ADADHN CCc1ccc(CN(C)CCO)s1 50104582 486737200 /nfs/dbraw/zinc/73/72/00/486737200.db2.gz JCAQWGHDTNAQFN-UHFFFAOYSA-N 0 3 199.319 1.735 20 0 ADADHN CCCCN(CCO)Cc1ccco1 50106162 486737212 /nfs/dbraw/zinc/73/72/12/486737212.db2.gz YOSUCDIHGKIKQL-UHFFFAOYSA-N 0 3 197.278 1.874 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1ccsc1 50340273 486737635 /nfs/dbraw/zinc/73/76/35/486737635.db2.gz RFEUQIUIGZYYSL-YUMQZZPRSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1ccsc1 50340275 486737710 /nfs/dbraw/zinc/73/77/10/486737710.db2.gz RFEUQIUIGZYYSL-SFYZADRCSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@H](NCCCO)c1ccsc1 50339411 486737918 /nfs/dbraw/zinc/73/79/18/486737918.db2.gz KYSCHXCDXRFUKF-QMMMGPOBSA-N 0 3 185.292 1.781 20 0 ADADHN C[C@H](O)CN[C@H](C)c1ccsc1 50340278 486737990 /nfs/dbraw/zinc/73/79/90/486737990.db2.gz RFEUQIUIGZYYSL-JGVFFNPUSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@H](NCCN(C)C)c1ccsc1 50337307 486738008 /nfs/dbraw/zinc/73/80/08/486738008.db2.gz QGBNBKYHGCZTMJ-VIFPVBQESA-N 0 3 198.335 1.960 20 0 ADADHN C[C@H](N[C@H](C)CO)c1ccsc1 50340294 486738033 /nfs/dbraw/zinc/73/80/33/486738033.db2.gz AAVWWQDNZLVGKT-SFYZADRCSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@H](NCCO)c1ccsc1 50339891 486738398 /nfs/dbraw/zinc/73/83/98/486738398.db2.gz BBAJTIRAYCMTHZ-ZETCQYMHSA-N 0 3 171.265 1.391 20 0 ADADHN CN(C/C=C/c1ccccc1)CCO 50499332 486739581 /nfs/dbraw/zinc/73/95/81/486739581.db2.gz ZONYGGHYMHLGLC-VMPITWQZSA-N 0 3 191.274 1.624 20 0 ADADHN CCOc1ncccc1CNC(C)C 51523778 486740064 /nfs/dbraw/zinc/74/00/64/486740064.db2.gz KNJKUTQMDLAQEX-UHFFFAOYSA-N 0 3 194.278 1.978 20 0 ADADHN CCCNCc1cccc(OCC)n1 51523759 486740194 /nfs/dbraw/zinc/74/01/94/486740194.db2.gz PHGCZEGZUCPVJN-UHFFFAOYSA-N 0 3 194.278 1.980 20 0 ADADHN CC(C)NCc1cccnc1N(C)C 51436694 486740584 /nfs/dbraw/zinc/74/05/84/486740584.db2.gz UHNZNJGJECIPJM-UHFFFAOYSA-N 0 3 193.294 1.646 20 0 ADADHN CC(C)NCc1cccc(N(C)C)n1 51436683 486740609 /nfs/dbraw/zinc/74/06/09/486740609.db2.gz UYPRACGOLKAEIV-UHFFFAOYSA-N 0 3 193.294 1.646 20 0 ADADHN C[C@H](O)CN(C)Cc1cccc(N)c1 51816911 486741410 /nfs/dbraw/zinc/74/14/10/486741410.db2.gz GWCWAVOOZRUXOJ-VIFPVBQESA-N 0 3 194.278 1.081 20 0 ADADHN CC(C)N(CC(N)=O)CC1(C)CCC1 670989596 486742172 /nfs/dbraw/zinc/74/21/72/486742172.db2.gz NCOWWJVGZJOTSV-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CN(Cc1cn[nH]n1)CC1CCCC1 670990774 486743541 /nfs/dbraw/zinc/74/35/41/486743541.db2.gz XVWMGAFCLBNTIC-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN CN(Cc1c[nH]nn1)CC1CCCC1 670990774 486743543 /nfs/dbraw/zinc/74/35/43/486743543.db2.gz XVWMGAFCLBNTIC-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN CN(CCCCCF)Cc1cn[nH]c1 671242272 486745285 /nfs/dbraw/zinc/74/52/85/486745285.db2.gz SNACHWGRQUJGIK-UHFFFAOYSA-N 0 3 199.273 1.981 20 0 ADADHN CCN1CCC(c2c[nH]nc2C)CC1 671248258 486746035 /nfs/dbraw/zinc/74/60/35/486746035.db2.gz IPKTZAFMLOYAEE-UHFFFAOYSA-N 0 3 193.294 1.917 20 0 ADADHN CCCNCc1ccc(COC)o1 52602279 486746412 /nfs/dbraw/zinc/74/64/12/486746412.db2.gz IKCPKKGJUNBZNG-UHFFFAOYSA-N 0 3 183.251 1.926 20 0 ADADHN Cc1ccncc1CN(C)[C@H](C)CO 671248972 486746521 /nfs/dbraw/zinc/74/65/21/486746521.db2.gz QBMPTHONMFNMLU-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN OCC1(NCc2ccco2)CCCC1 53044476 486747448 /nfs/dbraw/zinc/74/74/48/486747448.db2.gz BRRIAIYIQHXFIH-UHFFFAOYSA-N 0 3 195.262 1.674 20 0 ADADHN CC(C)CN(C)Cc1cnn(C)c1 671297653 486747887 /nfs/dbraw/zinc/74/78/87/486747887.db2.gz SUAKGUPTACOKID-UHFFFAOYSA-N 0 3 181.283 1.508 20 0 ADADHN CO[C@H](C)CNCc1ccco1 53550287 486750973 /nfs/dbraw/zinc/75/09/73/486750973.db2.gz ZSAZECGXXJNZHJ-MRVPVSSYSA-N 0 3 169.224 1.404 20 0 ADADHN CO[C@@H](C)CNCc1cccs1 53550192 486751045 /nfs/dbraw/zinc/75/10/45/486751045.db2.gz STCJWFUJVZKMOH-QMMMGPOBSA-N 0 3 185.292 1.873 20 0 ADADHN CO[C@@H](C)CNCc1ccco1 53550283 486751079 /nfs/dbraw/zinc/75/10/79/486751079.db2.gz ZSAZECGXXJNZHJ-QMMMGPOBSA-N 0 3 169.224 1.404 20 0 ADADHN CO[C@H](C)CNCc1cccs1 53550196 486751113 /nfs/dbraw/zinc/75/11/13/486751113.db2.gz STCJWFUJVZKMOH-MRVPVSSYSA-N 0 3 185.292 1.873 20 0 ADADHN CN(CCCCF)Cc1cnn(C)c1 671676206 486752325 /nfs/dbraw/zinc/75/23/25/486752325.db2.gz ZWMYALDACRDFHI-UHFFFAOYSA-N 0 3 199.273 1.602 20 0 ADADHN CO[C@@H](C)CN(C)[C@H]1CCCOC1 671704159 486752729 /nfs/dbraw/zinc/75/27/29/486752729.db2.gz MHEBDOHFMPJKTJ-UWVGGRQHSA-N 0 3 187.283 1.132 20 0 ADADHN CN[C@@H](C)C(=O)N(CC(C)C)C1CC1 54074994 486752776 /nfs/dbraw/zinc/75/27/76/486752776.db2.gz WCQDRMVMJDCCDA-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C)CN(C)C(=O)[C@H](C)NC 54072035 486752795 /nfs/dbraw/zinc/75/27/95/486752795.db2.gz BYFBAFAAEKAWCA-IUCAKERBSA-N 0 3 186.299 1.099 20 0 ADADHN CO[C@H](C)CN(C)[C@H]1CCCOC1 671704161 486752940 /nfs/dbraw/zinc/75/29/40/486752940.db2.gz MHEBDOHFMPJKTJ-ZJUUUORDSA-N 0 3 187.283 1.132 20 0 ADADHN CCCN(CCC)C(=O)[C@H](C)NC 54071502 486752979 /nfs/dbraw/zinc/75/29/79/486752979.db2.gz PPGKBEZZMBGACX-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN FCCCCN1CCc2n[nH]cc2C1 671685340 486753002 /nfs/dbraw/zinc/75/30/02/486753002.db2.gz SNDKDWGMCULOPL-UHFFFAOYSA-N 0 3 197.257 1.518 20 0 ADADHN CN[C@@H](C)C(=O)N(C)CCC(C)C 54075320 486753012 /nfs/dbraw/zinc/75/30/12/486753012.db2.gz UVRIZZLRZAKUGW-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CCCCN(CC)C(=O)[C@H](C)NC 54071643 486753109 /nfs/dbraw/zinc/75/31/09/486753109.db2.gz OELZGAWUJICVHH-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CO[C@@H](C)CN(C)[C@@H]1CCCOC1 671704160 486753151 /nfs/dbraw/zinc/75/31/51/486753151.db2.gz MHEBDOHFMPJKTJ-VHSXEESVSA-N 0 3 187.283 1.132 20 0 ADADHN CC[C@@H](C)CN(C)C(=O)[C@H](C)NC 54072033 486753153 /nfs/dbraw/zinc/75/31/53/486753153.db2.gz BYFBAFAAEKAWCA-BDAKNGLRSA-N 0 3 186.299 1.099 20 0 ADADHN CC[C@H](C)N(CC)C(=O)[C@H](C)NC 54072023 486753251 /nfs/dbraw/zinc/75/32/51/486753251.db2.gz JUXNALSVOWXRBS-IUCAKERBSA-N 0 3 186.299 1.241 20 0 ADADHN CC[C@@H]1CCCN(C(=O)[C@H](C)NC)C1 54072503 486753277 /nfs/dbraw/zinc/75/32/77/486753277.db2.gz QHULHZCXBCPISY-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CO[C@H](C)CN(C)[C@@H]1CCCOC1 671704158 486753331 /nfs/dbraw/zinc/75/33/31/486753331.db2.gz MHEBDOHFMPJKTJ-NXEZZACHSA-N 0 3 187.283 1.132 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H](C)CC(C)C 54072073 486753339 /nfs/dbraw/zinc/75/33/39/486753339.db2.gz MPMAUNBYSUKZAH-IUCAKERBSA-N 0 3 186.299 1.145 20 0 ADADHN CCC[C@@H](C)N(C)C(=O)[C@H](C)NC 54072366 486753363 /nfs/dbraw/zinc/75/33/63/486753363.db2.gz DGCRKHATNFKQOA-BDAKNGLRSA-N 0 3 186.299 1.241 20 0 ADADHN CCCCN(C(=O)[C@H](C)NC)C1CC1 54075098 486753393 /nfs/dbraw/zinc/75/33/93/486753393.db2.gz LEGGRTHYDPUOKT-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN FCCCCN1CCc2c[nH]nc2C1 671685148 486753423 /nfs/dbraw/zinc/75/34/23/486753423.db2.gz HPFLIBICUYCYEO-UHFFFAOYSA-N 0 3 197.257 1.518 20 0 ADADHN CC[C@H]1CCCN(C(=O)[C@H](C)NC)C1 54072505 486753484 /nfs/dbraw/zinc/75/34/84/486753484.db2.gz QHULHZCXBCPISY-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H](C)CC(C)C 54072071 486753608 /nfs/dbraw/zinc/75/36/08/486753608.db2.gz MPMAUNBYSUKZAH-BDAKNGLRSA-N 0 3 186.299 1.145 20 0 ADADHN CCC[C@H](C)N(C)C(=O)[C@H](C)NC 54072367 486753623 /nfs/dbraw/zinc/75/36/23/486753623.db2.gz DGCRKHATNFKQOA-IUCAKERBSA-N 0 3 186.299 1.241 20 0 ADADHN CCN(CC(C)C)C(=O)[C@H](C)NC 54072016 486753679 /nfs/dbraw/zinc/75/36/79/486753679.db2.gz YXIGLLMGKPBMOO-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CC[C@@H](C)N(CC)C(=O)[C@H](C)NC 54072022 486753706 /nfs/dbraw/zinc/75/37/06/486753706.db2.gz JUXNALSVOWXRBS-BDAKNGLRSA-N 0 3 186.299 1.241 20 0 ADADHN CCC[C@H](CC)NC(=O)[C@H](C)NC 54076906 486753962 /nfs/dbraw/zinc/75/39/62/486753962.db2.gz CLKKJGLDTOLHLR-IUCAKERBSA-N 0 3 186.299 1.289 20 0 ADADHN CN[C@@H](C)C(=O)NCCCC(C)C 54075692 486754053 /nfs/dbraw/zinc/75/40/53/486754053.db2.gz HKJQEWLRRJAPJX-VIFPVBQESA-N 0 3 186.299 1.147 20 0 ADADHN CCC[C@@H](CC)NC(=O)[C@H](C)NC 54076905 486754247 /nfs/dbraw/zinc/75/42/47/486754247.db2.gz CLKKJGLDTOLHLR-DTWKUNHWSA-N 0 3 186.299 1.289 20 0 ADADHN CN(C[C@H]1CCCCO1)C1(CO)CC1 671727291 486754383 /nfs/dbraw/zinc/75/43/83/486754383.db2.gz MHLVFXQEAJUGSQ-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN CN[C@@H](C)C(=O)N(CC1CC1)C(C)C 54076684 486754513 /nfs/dbraw/zinc/75/45/13/486754513.db2.gz HHHYAZAJANKKFS-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN C[C@@H]1CC[C@H](CN(C)C2(CO)CC2)O1 671727594 486754536 /nfs/dbraw/zinc/75/45/36/486754536.db2.gz SYOLVHIIRSMOOP-NXEZZACHSA-N 0 3 199.294 1.011 20 0 ADADHN CN(C[C@@H]1CCCCO1)C1(CO)CC1 671727290 486754707 /nfs/dbraw/zinc/75/47/07/486754707.db2.gz MHLVFXQEAJUGSQ-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN C[C@H]1CC[C@H](CN(C)C2(CO)CC2)O1 671727596 486754731 /nfs/dbraw/zinc/75/47/31/486754731.db2.gz SYOLVHIIRSMOOP-VHSXEESVSA-N 0 3 199.294 1.011 20 0 ADADHN CCC1CCN(C(=O)[C@H](C)NC)CC1 54075460 486754784 /nfs/dbraw/zinc/75/47/84/486754784.db2.gz CLTUSAPAPDAFMV-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H]1CC[C@@H](CN(C)C2(CO)CC2)O1 671727595 486754823 /nfs/dbraw/zinc/75/48/23/486754823.db2.gz SYOLVHIIRSMOOP-UWVGGRQHSA-N 0 3 199.294 1.011 20 0 ADADHN CO[C@H](C)CN(C)Cc1ccncc1 671737098 486755348 /nfs/dbraw/zinc/75/53/48/486755348.db2.gz JOJSQSZBJWFMPA-SNVBAGLBSA-N 0 3 194.278 1.548 20 0 ADADHN CO[C@@H](C)CN(C)Cc1ccncc1 671737097 486755767 /nfs/dbraw/zinc/75/57/67/486755767.db2.gz JOJSQSZBJWFMPA-JTQLQIEISA-N 0 3 194.278 1.548 20 0 ADADHN C[C@@H]1CC[C@@H](CN(C)C2(CO)CC2)O1 671727597 486755937 /nfs/dbraw/zinc/75/59/37/486755937.db2.gz SYOLVHIIRSMOOP-ZJUUUORDSA-N 0 3 199.294 1.011 20 0 ADADHN CC[C@@H](C(=O)N(C)C1CCC1)N(C)C 671739909 486756721 /nfs/dbraw/zinc/75/67/21/486756721.db2.gz BBBKPRVEASPPBT-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN CCN[C@H](CCOC)c1ccco1 54456251 486756820 /nfs/dbraw/zinc/75/68/20/486756820.db2.gz NCWATUWKEONLGH-SECBINFHSA-N 0 3 183.251 1.967 20 0 ADADHN CC[C@H](C(=O)N(C)C1CCC1)N(C)C 671739910 486756892 /nfs/dbraw/zinc/75/68/92/486756892.db2.gz BBBKPRVEASPPBT-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CCN[C@@H](CCOC)c1ccco1 54456249 486756969 /nfs/dbraw/zinc/75/69/69/486756969.db2.gz NCWATUWKEONLGH-VIFPVBQESA-N 0 3 183.251 1.967 20 0 ADADHN CC[C@H](C)NCc1nncn1CC 54497779 486758309 /nfs/dbraw/zinc/75/83/09/486758309.db2.gz SLQOOQXREXECKP-QMMMGPOBSA-N 0 3 182.271 1.186 20 0 ADADHN CC[C@@H](C)NCc1nncn1CC 54497778 486758864 /nfs/dbraw/zinc/75/88/64/486758864.db2.gz SLQOOQXREXECKP-MRVPVSSYSA-N 0 3 182.271 1.186 20 0 ADADHN C[C@H](CNc1ncccc1F)N(C)C 54700689 486759063 /nfs/dbraw/zinc/75/90/63/486759063.db2.gz CZKSFTVTOUQQGI-MRVPVSSYSA-N 0 3 197.257 1.583 20 0 ADADHN CC(C)NCc1cnc(C2CC2)nc1 54856058 486759771 /nfs/dbraw/zinc/75/97/71/486759771.db2.gz GJPQSCKMMFFSTE-UHFFFAOYSA-N 0 3 191.278 1.852 20 0 ADADHN CCC(CC)NCc1cnccn1 54765385 486759989 /nfs/dbraw/zinc/75/99/89/486759989.db2.gz VIKSZMJCALHHPH-UHFFFAOYSA-N 0 3 179.267 1.755 20 0 ADADHN CC(C)c1noc([N-]CC[NH+](C)C)n1 57353975 486760028 /nfs/dbraw/zinc/76/00/28/486760028.db2.gz WOACINLXHJPCNV-UHFFFAOYSA-N 0 3 198.270 1.167 20 0 ADADHN CC(C)c1noc(NCCN(C)C)n1 57353975 486760030 /nfs/dbraw/zinc/76/00/30/486760030.db2.gz WOACINLXHJPCNV-UHFFFAOYSA-N 0 3 198.270 1.167 20 0 ADADHN c1nc(C2CC2)ncc1CNC1CC1 54856244 486760099 /nfs/dbraw/zinc/76/00/99/486760099.db2.gz GVAZKGGMMUUDAE-UHFFFAOYSA-N 0 3 189.262 1.606 20 0 ADADHN CCCN[C@@H](C)c1cncnc1C 54963092 486760106 /nfs/dbraw/zinc/76/01/06/486760106.db2.gz PSUPCUCXZDORHO-QMMMGPOBSA-N 0 3 179.267 1.846 20 0 ADADHN CCCNCc1cnc(C2CC2)nc1 54855870 486760117 /nfs/dbraw/zinc/76/01/17/486760117.db2.gz ZUTHQGZWVOUMQJ-UHFFFAOYSA-N 0 3 191.278 1.854 20 0 ADADHN CCc1ncc(CNC(C)C)cn1 54856054 486760125 /nfs/dbraw/zinc/76/01/25/486760125.db2.gz QJARTLJXUFBTFG-UHFFFAOYSA-N 0 3 179.267 1.537 20 0 ADADHN CCC(C)(C)NCc1cnccn1 54765384 486760182 /nfs/dbraw/zinc/76/01/82/486760182.db2.gz JLQBPOZVTIJTSH-UHFFFAOYSA-N 0 3 179.267 1.755 20 0 ADADHN CC(C)NCc1ccnc(N(C)C)n1 54791816 486760214 /nfs/dbraw/zinc/76/02/14/486760214.db2.gz UODZPHPPBGUVAZ-UHFFFAOYSA-N 0 3 194.282 1.041 20 0 ADADHN c1cnc(CNCC2CCC2)cn1 54765774 486760361 /nfs/dbraw/zinc/76/03/61/486760361.db2.gz JJYMBNMHHSCOGM-UHFFFAOYSA-N 0 3 177.251 1.366 20 0 ADADHN Cc1cc(CNCC(C)C)ncn1 54832293 486760377 /nfs/dbraw/zinc/76/03/77/486760377.db2.gz XJYNVIJFGBWJKN-UHFFFAOYSA-N 0 3 179.267 1.531 20 0 ADADHN CCc1ncc(CNC(C)(C)C)cn1 54856425 486760453 /nfs/dbraw/zinc/76/04/53/486760453.db2.gz ZVTUBYPFQRFMAP-UHFFFAOYSA-N 0 3 193.294 1.927 20 0 ADADHN COC[C@H](C)NCCC(F)(F)F 59167755 486761053 /nfs/dbraw/zinc/76/10/53/486761053.db2.gz DAIUJAOUXFFFSY-LURJTMIESA-N 0 3 185.189 1.563 20 0 ADADHN CCN(CC)Cc1cnc(N)s1 58083007 486761135 /nfs/dbraw/zinc/76/11/35/486761135.db2.gz VYNGLKMVBHCVQB-UHFFFAOYSA-N 0 3 185.296 1.567 20 0 ADADHN COC[C@@H](C)NCCC(F)(F)F 59167756 486761619 /nfs/dbraw/zinc/76/16/19/486761619.db2.gz DAIUJAOUXFFFSY-ZCFIWIBFSA-N 0 3 185.189 1.563 20 0 ADADHN CN(C)CCN(C)c1ccc(F)cn1 672229862 486762534 /nfs/dbraw/zinc/76/25/34/486762534.db2.gz VQXRFESSTNCMFK-UHFFFAOYSA-N 0 3 197.257 1.219 20 0 ADADHN CCCCN(CC)[C@@H](CC)C(N)=O 61678899 486762539 /nfs/dbraw/zinc/76/25/39/486762539.db2.gz DSGFAOFVZTUJCF-VIFPVBQESA-N 0 3 186.299 1.372 20 0 ADADHN CCCCN(CC)[C@H](CC)C(N)=O 61678900 486762641 /nfs/dbraw/zinc/76/26/41/486762641.db2.gz DSGFAOFVZTUJCF-SECBINFHSA-N 0 3 186.299 1.372 20 0 ADADHN CCCN(CCN1CCCC1)C(C)=O 672211412 486763161 /nfs/dbraw/zinc/76/31/61/486763161.db2.gz UVGVOVJSRKGWRQ-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN COC[C@H](C)NCc1ccc(C)nc1 62051478 486765437 /nfs/dbraw/zinc/76/54/37/486765437.db2.gz RIIDWAHUHLCDGP-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN COC[C@@H](C)NCc1ccc(C)nc1 62051479 486765758 /nfs/dbraw/zinc/76/57/58/486765758.db2.gz RIIDWAHUHLCDGP-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN CCn1ncnc1CNCC(C)C 62743641 486767212 /nfs/dbraw/zinc/76/72/12/486767212.db2.gz YTBOYQCFMKGJDI-UHFFFAOYSA-N 0 3 182.271 1.044 20 0 ADADHN CCC1(CC)CCN(CC(N)=O)CC1 62955573 486767679 /nfs/dbraw/zinc/76/76/79/486767679.db2.gz RCDGKYMHHPNIOF-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)[C@@H](C)C1CC1 672516680 486767956 /nfs/dbraw/zinc/76/79/56/486767956.db2.gz IYCXUKXOCKMZGX-IUCAKERBSA-N 0 3 198.310 1.099 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)C1=CCCC1 672516785 486767972 /nfs/dbraw/zinc/76/79/72/486767972.db2.gz FQYWKZKBMXAWJR-VIFPVBQESA-N 0 3 196.294 1.163 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)[C@H](C)C1CC1 672516679 486768052 /nfs/dbraw/zinc/76/80/52/486768052.db2.gz IYCXUKXOCKMZGX-DTWKUNHWSA-N 0 3 198.310 1.099 20 0 ADADHN CN(CCOC1CCC1)[C@H]1CCOC1 672542968 486768060 /nfs/dbraw/zinc/76/80/60/486768060.db2.gz DVMFFCMHONPHML-JTQLQIEISA-N 0 3 199.294 1.276 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)C1CCCC1 672516764 486768075 /nfs/dbraw/zinc/76/80/75/486768075.db2.gz UZPYFUVMUSSUEA-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)CCC1CC1 672516770 486768117 /nfs/dbraw/zinc/76/81/17/486768117.db2.gz BRKACYPFNVPONJ-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCC1(C(=O)N[C@@H](C)CN(C)C)CC1 672516887 486768134 /nfs/dbraw/zinc/76/81/34/486768134.db2.gz SQMKBFAWSQEXKT-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)CC1CCC1 672517027 486768227 /nfs/dbraw/zinc/76/82/27/486768227.db2.gz PHYJJQPYGPWURS-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CN(CCOC1CCC1)[C@@H]1CCOC1 672542970 486768478 /nfs/dbraw/zinc/76/84/78/486768478.db2.gz DVMFFCMHONPHML-SNVBAGLBSA-N 0 3 199.294 1.276 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)C1(C)CCC1 672516878 486768488 /nfs/dbraw/zinc/76/84/88/486768488.db2.gz OOGQOWDTUWBNTL-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CC1(C)C 672516755 486768576 /nfs/dbraw/zinc/76/85/76/486768576.db2.gz MEQIYBARISYHBM-DTWKUNHWSA-N 0 3 198.310 1.099 20 0 ADADHN OC1CCN(CCOC2CCC2)CC1 672535565 486768598 /nfs/dbraw/zinc/76/85/98/486768598.db2.gz RMAPFBWGZFSCHS-UHFFFAOYSA-N 0 3 199.294 1.012 20 0 ADADHN O[C@H]1CCCN(CCOC2CCC2)C1 672535492 486768613 /nfs/dbraw/zinc/76/86/13/486768613.db2.gz WGZFGMVXNZYHEO-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN C1CC(OCCN2CCCOCC2)C1 672537066 486768638 /nfs/dbraw/zinc/76/86/38/486768638.db2.gz GCHFVDRWKUJBSH-UHFFFAOYSA-N 0 3 199.294 1.278 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)C1CC=CC1 672516664 486768665 /nfs/dbraw/zinc/76/86/65/486768665.db2.gz BAGVJIQPVJHJQY-VIFPVBQESA-N 0 3 196.294 1.019 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)CC1(C)CC1 672516505 486768718 /nfs/dbraw/zinc/76/87/18/486768718.db2.gz HCIJWIPYFRTPAZ-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN OCCN(CCOC1CCC1)C1CC1 672535919 486768856 /nfs/dbraw/zinc/76/88/56/486768856.db2.gz GKTGRFSNMYKSDM-UHFFFAOYSA-N 0 3 199.294 1.012 20 0 ADADHN CC1CCC(CNC(=O)[C@@H](C)N)CC1 63146290 486769199 /nfs/dbraw/zinc/76/91/99/486769199.db2.gz XKJACJYTDYGKGE-HWOCKDDLSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1CCOC1CCC1 672552018 486769289 /nfs/dbraw/zinc/76/92/89/486769289.db2.gz MRNUNRUYJFVCJF-NXEZZACHSA-N 0 3 199.294 1.011 20 0 ADADHN CC[C@H](O)CNCc1ccsc1 63152716 486769375 /nfs/dbraw/zinc/76/93/75/486769375.db2.gz XAIICMRQLCONHP-VIFPVBQESA-N 0 3 185.292 1.609 20 0 ADADHN CC[C@H](C)N(CCO)Cc1cnc[nH]1 672568680 486769469 /nfs/dbraw/zinc/76/94/69/486769469.db2.gz YLWCBXPZBYELHK-VIFPVBQESA-N 0 3 197.282 1.003 20 0 ADADHN C[C@@]1(O)CCN(CCOC2CCC2)C1 672545072 486769524 /nfs/dbraw/zinc/76/95/24/486769524.db2.gz HNVYCVYVIRFRFQ-LLVKDONJSA-N 0 3 199.294 1.012 20 0 ADADHN CC[C@@H](O)CNCc1ccsc1 63152717 486769557 /nfs/dbraw/zinc/76/95/57/486769557.db2.gz XAIICMRQLCONHP-SECBINFHSA-N 0 3 185.292 1.609 20 0 ADADHN CC(C)(O)CNCc1ccsc1 63129664 486769672 /nfs/dbraw/zinc/76/96/72/486769672.db2.gz KLJGFPXGDXVFPC-UHFFFAOYSA-N 0 3 185.292 1.609 20 0 ADADHN CNCC(=O)NCC1CCC(C)CC1 63146380 486769687 /nfs/dbraw/zinc/76/96/87/486769687.db2.gz NLOLCILSLATXSO-UHFFFAOYSA-N 0 3 198.310 1.148 20 0 ADADHN CC1CCC(CNC(=O)[C@H](C)N)CC1 63146218 486769846 /nfs/dbraw/zinc/76/98/46/486769846.db2.gz XKJACJYTDYGKGE-KYHHOPLUSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H]1C[C@H](O)CN1CCOC1CCC1 672552019 486769857 /nfs/dbraw/zinc/76/98/57/486769857.db2.gz MRNUNRUYJFVCJF-UWVGGRQHSA-N 0 3 199.294 1.011 20 0 ADADHN CN(CCOC1CCC1)C1(CO)CC1 672558233 486769894 /nfs/dbraw/zinc/76/98/94/486769894.db2.gz VEHUFKBSJOCJNX-UHFFFAOYSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@H]1C[C@@H](O)CN1CCOC1CCC1 672552020 486770030 /nfs/dbraw/zinc/77/00/30/486770030.db2.gz MRNUNRUYJFVCJF-VHSXEESVSA-N 0 3 199.294 1.011 20 0 ADADHN CC[C@@H](C)N(CCO)Cc1cnc[nH]1 672568679 486770146 /nfs/dbraw/zinc/77/01/46/486770146.db2.gz YLWCBXPZBYELHK-SECBINFHSA-N 0 3 197.282 1.003 20 0 ADADHN C[C@@H]1C[C@H](O)CN1CCOC1CCC1 672552021 486770168 /nfs/dbraw/zinc/77/01/68/486770168.db2.gz MRNUNRUYJFVCJF-ZJUUUORDSA-N 0 3 199.294 1.011 20 0 ADADHN CN(CCOC1CCC1)C1CC(O)C1 672553771 486770273 /nfs/dbraw/zinc/77/02/73/486770273.db2.gz DHMQQUPDHLLLLJ-UHFFFAOYSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@]1(O)CCN(CCOC2CCC2)C1 672545073 486770289 /nfs/dbraw/zinc/77/02/89/486770289.db2.gz HNVYCVYVIRFRFQ-NSHDSACASA-N 0 3 199.294 1.012 20 0 ADADHN CO[C@H]1CCN(CCOC2CCC2)C1 672545162 486770362 /nfs/dbraw/zinc/77/03/62/486770362.db2.gz RHKHLJREZGVMML-NSHDSACASA-N 0 3 199.294 1.276 20 0 ADADHN CCCN(CCC)CC(=O)N(C)C 66216481 486770564 /nfs/dbraw/zinc/77/05/64/486770564.db2.gz ZYLMTXCQNKWSBT-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN CCCN(CCC)CC(=O)NCC 66216354 486770809 /nfs/dbraw/zinc/77/08/09/486770809.db2.gz AXFHPNKCGOFTGB-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CN(C)CCNC(=O)C(C)(C)C1CC1 672676919 486770975 /nfs/dbraw/zinc/77/09/75/486770975.db2.gz ADBPHFNKSMGZSG-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN CCCN[C@H](COC)c1ccco1 68979901 486771394 /nfs/dbraw/zinc/77/13/94/486771394.db2.gz UGDACIAIZTXWHH-SECBINFHSA-N 0 3 183.251 1.967 20 0 ADADHN CCN(CC1CC1)C(=O)CNC(C)C 68946953 486771925 /nfs/dbraw/zinc/77/19/25/486771925.db2.gz OHYKOYJEGXBNDI-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN[C@@H](COC)c1ccco1 68979899 486771996 /nfs/dbraw/zinc/77/19/96/486771996.db2.gz UGDACIAIZTXWHH-VIFPVBQESA-N 0 3 183.251 1.967 20 0 ADADHN CC(C)CCN(C)Cc1cnn(C)c1 673084724 486772551 /nfs/dbraw/zinc/77/25/51/486772551.db2.gz PQFRKGKMPDNXIX-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CC(C)CCN(C)CC(=O)NC1CC1 673085491 486772680 /nfs/dbraw/zinc/77/26/80/486772680.db2.gz BILATAFMVQXQGD-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN[C@@H](CC)c1nccn1C 69029283 486772942 /nfs/dbraw/zinc/77/29/42/486772942.db2.gz YMHZWALHMQRSRV-VIFPVBQESA-N 0 3 181.283 1.871 20 0 ADADHN CCCN[C@H](CC)c1nccn1C 69029287 486773421 /nfs/dbraw/zinc/77/34/21/486773421.db2.gz YMHZWALHMQRSRV-SECBINFHSA-N 0 3 181.283 1.871 20 0 ADADHN CC[C@H](C)NCc1cccc(OC)n1 69637511 486773438 /nfs/dbraw/zinc/77/34/38/486773438.db2.gz FJWPOLIPDRNVOG-VIFPVBQESA-N 0 3 194.278 1.978 20 0 ADADHN CCCN[C@H](C)c1nccn1C 69631277 486773499 /nfs/dbraw/zinc/77/34/99/486773499.db2.gz FJFXWHHLARHQPE-MRVPVSSYSA-N 0 3 167.256 1.481 20 0 ADADHN CCN[C@H](c1nccn1C)C1CC1 69029346 486773521 /nfs/dbraw/zinc/77/35/21/486773521.db2.gz IOZUZMFLZKXKQF-VIFPVBQESA-N 0 3 179.267 1.481 20 0 ADADHN CCN[C@@H](c1nccn1C)C1CC1 69029342 486773649 /nfs/dbraw/zinc/77/36/49/486773649.db2.gz IOZUZMFLZKXKQF-SECBINFHSA-N 0 3 179.267 1.481 20 0 ADADHN CC[C@@H](C)NCc1cccc(OC)n1 69637510 486773699 /nfs/dbraw/zinc/77/36/99/486773699.db2.gz FJWPOLIPDRNVOG-SECBINFHSA-N 0 3 194.278 1.978 20 0 ADADHN CCCN[C@@H](c1nccn1C)C1CC1 69029350 486773704 /nfs/dbraw/zinc/77/37/04/486773704.db2.gz BZCIEHCKBHIXSV-SNVBAGLBSA-N 0 3 193.294 1.871 20 0 ADADHN CCCN[C@H](c1nccn1C)C1CC1 69029355 486773790 /nfs/dbraw/zinc/77/37/90/486773790.db2.gz BZCIEHCKBHIXSV-JTQLQIEISA-N 0 3 193.294 1.871 20 0 ADADHN CCn1nccc1CNC(C)C 69049566 486773842 /nfs/dbraw/zinc/77/38/42/486773842.db2.gz BHWZMFYCAQLJDE-UHFFFAOYSA-N 0 3 167.256 1.401 20 0 ADADHN CCCN[C@@H](C)c1nccn1C 69631274 486773859 /nfs/dbraw/zinc/77/38/59/486773859.db2.gz FJFXWHHLARHQPE-QMMMGPOBSA-N 0 3 167.256 1.481 20 0 ADADHN CCCCNCc1cccc(OC)n1 69637523 486773905 /nfs/dbraw/zinc/77/39/05/486773905.db2.gz PKTHGJLFLWOMSP-UHFFFAOYSA-N 0 3 194.278 1.980 20 0 ADADHN COc1cccc(CNC2CCC2)n1 69637641 486774100 /nfs/dbraw/zinc/77/41/00/486774100.db2.gz PUEWJDKFAWFFAM-UHFFFAOYSA-N 0 3 192.262 1.732 20 0 ADADHN CC[C@@H](C(=O)NC1CC1)N(CC)CC 673630239 486774589 /nfs/dbraw/zinc/77/45/89/486774589.db2.gz SCQSXUYUGWPQTF-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C(=O)NC1CC1)N(CC)CC 673630240 486775013 /nfs/dbraw/zinc/77/50/13/486775013.db2.gz SCQSXUYUGWPQTF-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H](C(=O)N1CCC1)N(CC)CC 673632089 486775226 /nfs/dbraw/zinc/77/52/26/486775226.db2.gz JMRJHCVUNQUNIH-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@H](C(=O)N1CCC1)N(CC)CC 673632090 486775316 /nfs/dbraw/zinc/77/53/16/486775316.db2.gz JMRJHCVUNQUNIH-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN Cc1ccc([C@@H](C)N(C)CCO)cc1 673717835 486776025 /nfs/dbraw/zinc/77/60/25/486776025.db2.gz LMZGVFZJWQQWMC-LLVKDONJSA-N 0 3 193.290 1.980 20 0 ADADHN C[C@H](c1cccc(O)c1)N(C)CCO 673717914 486777020 /nfs/dbraw/zinc/77/70/20/486777020.db2.gz YMUGKKNANHJUAH-SECBINFHSA-N 0 3 195.262 1.377 20 0 ADADHN Cc1ccc([C@H](C)N(C)CCO)cc1 673717836 486777199 /nfs/dbraw/zinc/77/71/99/486777199.db2.gz LMZGVFZJWQQWMC-NSHDSACASA-N 0 3 193.290 1.980 20 0 ADADHN OCCCN1CC[C@H]1c1ccccc1 673712223 486777168 /nfs/dbraw/zinc/77/71/68/486777168.db2.gz ZFZHAYROUALHLO-LBPRGKRZSA-N 0 3 191.274 1.816 20 0 ADADHN OCCCN1CC[C@@H]1c1ccccc1 673712222 486777182 /nfs/dbraw/zinc/77/71/82/486777182.db2.gz ZFZHAYROUALHLO-GFCCVEGCSA-N 0 3 191.274 1.816 20 0 ADADHN C[C@@H](c1cccc(O)c1)N(C)CCO 673717915 486777337 /nfs/dbraw/zinc/77/73/37/486777337.db2.gz YMUGKKNANHJUAH-VIFPVBQESA-N 0 3 195.262 1.377 20 0 ADADHN CCCN(CCO)Cc1cccn1C 673809131 486778201 /nfs/dbraw/zinc/77/82/01/486778201.db2.gz MPUBLZLSIGKXKR-UHFFFAOYSA-N 0 3 196.294 1.229 20 0 ADADHN CC(C)N(CCO)Cc1cccn1C 673809265 486778214 /nfs/dbraw/zinc/77/82/14/486778214.db2.gz QKBMKBRGTKRQPH-UHFFFAOYSA-N 0 3 196.294 1.228 20 0 ADADHN CN(C)CCN(C)C(=O)C1CCCC1 673812985 486778242 /nfs/dbraw/zinc/77/82/42/486778242.db2.gz GYSADZGTWMYSLQ-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H](C)N[C@@H](C)c1nccn1C 70007203 486778459 /nfs/dbraw/zinc/77/84/59/486778459.db2.gz UPXRLSKGSAHJCQ-BDAKNGLRSA-N 0 3 181.283 1.869 20 0 ADADHN CCCc1nccn1CCN(C)C 69963953 486778504 /nfs/dbraw/zinc/77/85/04/486778504.db2.gz YBEFSZZRYPVNMW-UHFFFAOYSA-N 0 3 181.283 1.397 20 0 ADADHN CC[C@H](C)N[C@@H](C)c1nccn1C 70007204 486778527 /nfs/dbraw/zinc/77/85/27/486778527.db2.gz UPXRLSKGSAHJCQ-IUCAKERBSA-N 0 3 181.283 1.869 20 0 ADADHN CC(C)CN[C@H](C)c1nccn1C 70007212 486778566 /nfs/dbraw/zinc/77/85/66/486778566.db2.gz QPZPSRALSYEBTF-SECBINFHSA-N 0 3 181.283 1.727 20 0 ADADHN CC[C@H](C)N[C@H](C)c1nccn1C 70007208 486778999 /nfs/dbraw/zinc/77/89/99/486778999.db2.gz UPXRLSKGSAHJCQ-DTWKUNHWSA-N 0 3 181.283 1.869 20 0 ADADHN CC[C@@H](C)N[C@H](C)c1nccn1C 70007207 486779252 /nfs/dbraw/zinc/77/92/52/486779252.db2.gz UPXRLSKGSAHJCQ-RKDXNWHRSA-N 0 3 181.283 1.869 20 0 ADADHN CCCN(C)[C@@H]1CCN(C(C)C)C1=O 673894039 486779259 /nfs/dbraw/zinc/77/92/59/486779259.db2.gz RADZLUBIVKTANH-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)CN[C@@H](C)c1nccn1C 70007210 486779538 /nfs/dbraw/zinc/77/95/38/486779538.db2.gz QPZPSRALSYEBTF-VIFPVBQESA-N 0 3 181.283 1.727 20 0 ADADHN CCN(CC)[C@@H]1CCN(C(C)C)C1=O 673894065 486779357 /nfs/dbraw/zinc/77/93/57/486779357.db2.gz RPWYZZWMFUFORA-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)c1nccn1CCN(C)C 69950253 486779552 /nfs/dbraw/zinc/77/95/52/486779552.db2.gz KQHIIYGLHBNYFP-UHFFFAOYSA-N 0 3 181.283 1.568 20 0 ADADHN CCCN(C)[C@H]1CCN(C(C)C)C1=O 673894038 486779566 /nfs/dbraw/zinc/77/95/66/486779566.db2.gz RADZLUBIVKTANH-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN CCN(CC)[C@H]1CCN(C(C)C)C1=O 673894064 486779704 /nfs/dbraw/zinc/77/97/04/486779704.db2.gz RPWYZZWMFUFORA-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN C[C@H](C(=O)NC[C@@H](C)N(C)C)C1CC1 673904228 486779956 /nfs/dbraw/zinc/77/99/56/486779956.db2.gz IURAICCSHBEGKH-BDAKNGLRSA-N 0 3 198.310 1.099 20 0 ADADHN C[C@@H](NCC1CCC1)c1nccn1C 70007544 486779958 /nfs/dbraw/zinc/77/99/58/486779958.db2.gz YQODPAZWMYCPHH-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN C[C@H](NCC1CC1)c1nccn1C 70007228 486779976 /nfs/dbraw/zinc/77/99/76/486779976.db2.gz DTTCHDGZPZWPLI-QMMMGPOBSA-N 0 3 179.267 1.481 20 0 ADADHN C[C@@H](NCC1CC1)c1nccn1C 70007230 486780234 /nfs/dbraw/zinc/78/02/34/486780234.db2.gz DTTCHDGZPZWPLI-MRVPVSSYSA-N 0 3 179.267 1.481 20 0 ADADHN C[C@@H](C(=O)NC[C@@H](C)N(C)C)C1CC1 673904229 486780346 /nfs/dbraw/zinc/78/03/46/486780346.db2.gz IURAICCSHBEGKH-RKDXNWHRSA-N 0 3 198.310 1.099 20 0 ADADHN CCCCN[C@@H](C)c1nccn1C 70007265 486780450 /nfs/dbraw/zinc/78/04/50/486780450.db2.gz FMOJRINENWIVNU-VIFPVBQESA-N 0 3 181.283 1.871 20 0 ADADHN COCCCN[C@@H](C)c1nccn1C 70007420 486780604 /nfs/dbraw/zinc/78/06/04/486780604.db2.gz PDBNETLLXVDJAS-VIFPVBQESA-N 0 3 197.282 1.107 20 0 ADADHN COCCCN[C@H](C)c1nccn1C 70007421 486780636 /nfs/dbraw/zinc/78/06/36/486780636.db2.gz PDBNETLLXVDJAS-SECBINFHSA-N 0 3 197.282 1.107 20 0 ADADHN C[C@H](NCC1CCC1)c1nccn1C 70007543 486780677 /nfs/dbraw/zinc/78/06/77/486780677.db2.gz YQODPAZWMYCPHH-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN CCCCN[C@H](C)c1nccn1C 70007267 486780708 /nfs/dbraw/zinc/78/07/08/486780708.db2.gz FMOJRINENWIVNU-SECBINFHSA-N 0 3 181.283 1.871 20 0 ADADHN C[C@H](NCC1CC1)c1cnccn1 70024400 486781159 /nfs/dbraw/zinc/78/11/59/486781159.db2.gz HTCZTXNVDQOISZ-QMMMGPOBSA-N 0 3 177.251 1.537 20 0 ADADHN C[C@H](NCC1CCC1)c1cnccn1 70024911 486781333 /nfs/dbraw/zinc/78/13/33/486781333.db2.gz QCFCICNKLHGVDL-VIFPVBQESA-N 0 3 191.278 1.927 20 0 ADADHN CC[C@H](C)N[C@H](C)c1cnccn1 70024385 486781368 /nfs/dbraw/zinc/78/13/68/486781368.db2.gz XTDWLMPFMZPHAQ-DTWKUNHWSA-N 0 3 179.267 1.926 20 0 ADADHN CC(C)CN[C@H](C)c1cnccn1 70024388 486781395 /nfs/dbraw/zinc/78/13/95/486781395.db2.gz HWYXKBLLJIOQMH-SECBINFHSA-N 0 3 179.267 1.783 20 0 ADADHN C[C@@H](NCC1CCC1)c1cnccn1 70024915 486781456 /nfs/dbraw/zinc/78/14/56/486781456.db2.gz QCFCICNKLHGVDL-SECBINFHSA-N 0 3 191.278 1.927 20 0 ADADHN CCCCN[C@@H](C)c1cnccn1 70024439 486781521 /nfs/dbraw/zinc/78/15/21/486781521.db2.gz VHFGRLXHYZPFFJ-VIFPVBQESA-N 0 3 179.267 1.927 20 0 ADADHN COCCCN[C@H](C)c1cnccn1 70024747 486781561 /nfs/dbraw/zinc/78/15/61/486781561.db2.gz GAQCZFBGIPKRGC-SECBINFHSA-N 0 3 195.266 1.164 20 0 ADADHN CC(C)CN[C@@H](C)c1cnccn1 70024387 486781572 /nfs/dbraw/zinc/78/15/72/486781572.db2.gz HWYXKBLLJIOQMH-VIFPVBQESA-N 0 3 179.267 1.783 20 0 ADADHN CC[C@H](C)N[C@@H](C)c1cnccn1 70024382 486781628 /nfs/dbraw/zinc/78/16/28/486781628.db2.gz XTDWLMPFMZPHAQ-IUCAKERBSA-N 0 3 179.267 1.926 20 0 ADADHN C[C@@H](NCC1CC1)c1cnccn1 70024403 486781863 /nfs/dbraw/zinc/78/18/63/486781863.db2.gz HTCZTXNVDQOISZ-MRVPVSSYSA-N 0 3 177.251 1.537 20 0 ADADHN CC[C@@H](C)N[C@H](C)c1cnccn1 70024384 486781917 /nfs/dbraw/zinc/78/19/17/486781917.db2.gz XTDWLMPFMZPHAQ-RKDXNWHRSA-N 0 3 179.267 1.926 20 0 ADADHN CC[C@@H](C)N[C@@H](C)c1cnccn1 70024381 486781922 /nfs/dbraw/zinc/78/19/22/486781922.db2.gz XTDWLMPFMZPHAQ-BDAKNGLRSA-N 0 3 179.267 1.926 20 0 ADADHN COCCCN[C@@H](C)c1cnccn1 70024743 486781929 /nfs/dbraw/zinc/78/19/29/486781929.db2.gz GAQCZFBGIPKRGC-VIFPVBQESA-N 0 3 195.266 1.164 20 0 ADADHN CCCCN[C@H](C)c1cnccn1 70024442 486781937 /nfs/dbraw/zinc/78/19/37/486781937.db2.gz VHFGRLXHYZPFFJ-SECBINFHSA-N 0 3 179.267 1.927 20 0 ADADHN C[C@@H](C1CC1)N(C)Cc1cncn1C 673927252 486782058 /nfs/dbraw/zinc/78/20/58/486782058.db2.gz RENXSUHRUXUCIU-VIFPVBQESA-N 0 3 193.294 1.650 20 0 ADADHN CC[C@@H](C)N(C)Cc1cncn1C 673927099 486782209 /nfs/dbraw/zinc/78/22/09/486782209.db2.gz MSFQNWZLLLZTBG-SECBINFHSA-N 0 3 181.283 1.650 20 0 ADADHN COCCCCN(C)Cc1cn[nH]c1 673928139 486782180 /nfs/dbraw/zinc/78/21/80/486782180.db2.gz YRHXBPLCNIZYEO-UHFFFAOYSA-N 0 3 197.282 1.268 20 0 ADADHN C[C@@H]1CCC[C@@H]1NC(=O)CNC1CC1 70834497 486795302 /nfs/dbraw/zinc/79/53/02/486795302.db2.gz KYUOZAAJXSQNEH-SCZZXKLOSA-N 0 3 196.294 1.043 20 0 ADADHN CCCCN(C)Cc1cncn1C 673926878 486782397 /nfs/dbraw/zinc/78/23/97/486782397.db2.gz ASMLPCQVIVVWTA-UHFFFAOYSA-N 0 3 181.283 1.652 20 0 ADADHN CCCN(CCO)CCC(F)(F)F 70205514 486782541 /nfs/dbraw/zinc/78/25/41/486782541.db2.gz HUGIVVKVDYCEQM-UHFFFAOYSA-N 0 3 199.216 1.643 20 0 ADADHN CCN(CCO)CCC(F)(F)F 70205439 486782598 /nfs/dbraw/zinc/78/25/98/486782598.db2.gz QQJKHZNCGXVFMG-UHFFFAOYSA-N 0 3 185.189 1.253 20 0 ADADHN CN(C)CCN(C)C(=O)CCC1CC1 673945897 486782640 /nfs/dbraw/zinc/78/26/40/486782640.db2.gz YGWRXEPWWZPCRT-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@@H](C(=O)N(C)CCN(C)C)C1CC1 673944496 486782651 /nfs/dbraw/zinc/78/26/51/486782651.db2.gz MOPCIQALFLQCBN-SECBINFHSA-N 0 3 198.310 1.053 20 0 ADADHN CC[C@H](C)N(C)Cc1cncn1C 673927100 486782750 /nfs/dbraw/zinc/78/27/50/486782750.db2.gz MSFQNWZLLLZTBG-VIFPVBQESA-N 0 3 181.283 1.650 20 0 ADADHN CC(C)CN(C)Cc1cn[nH]c1 673928056 486782811 /nfs/dbraw/zinc/78/28/11/486782811.db2.gz TYTLEGZBMBWDJK-UHFFFAOYSA-N 0 3 167.256 1.498 20 0 ADADHN C[C@H](C1CC1)N(C)Cc1cncn1C 673927250 486782865 /nfs/dbraw/zinc/78/28/65/486782865.db2.gz RENXSUHRUXUCIU-SECBINFHSA-N 0 3 193.294 1.650 20 0 ADADHN CC(C)N(CCO)CCC(F)(F)F 70205516 486783037 /nfs/dbraw/zinc/78/30/37/486783037.db2.gz IXUDSDOHKRLOGK-UHFFFAOYSA-N 0 3 199.216 1.642 20 0 ADADHN C[C@H](C(=O)N(C)CCN(C)C)C1CC1 673944497 486783054 /nfs/dbraw/zinc/78/30/54/486783054.db2.gz MOPCIQALFLQCBN-VIFPVBQESA-N 0 3 198.310 1.053 20 0 ADADHN Cc1ccccc1[C@H](C)N(C)CCO 674005465 486783578 /nfs/dbraw/zinc/78/35/78/486783578.db2.gz FBDBKOVWWLABJU-NSHDSACASA-N 0 3 193.290 1.980 20 0 ADADHN CC1(CNCc2cccnc2)COC1 70559463 486783582 /nfs/dbraw/zinc/78/35/82/486783582.db2.gz ZACIYWAFBUYCJY-UHFFFAOYSA-N 0 3 192.262 1.208 20 0 ADADHN Cc1ccccc1[C@@H](C)N(C)CCO 674005464 486783697 /nfs/dbraw/zinc/78/36/97/486783697.db2.gz FBDBKOVWWLABJU-LLVKDONJSA-N 0 3 193.290 1.980 20 0 ADADHN CC1(CNCc2ccccn2)COC1 70559447 486783759 /nfs/dbraw/zinc/78/37/59/486783759.db2.gz LMODAZKUBBKKJI-UHFFFAOYSA-N 0 3 192.262 1.208 20 0 ADADHN C[C@H](c1cccc(F)c1)N(C)CCO 674005881 486785206 /nfs/dbraw/zinc/78/52/06/486785206.db2.gz KIEZQLLTTXLSFL-SECBINFHSA-N 0 3 197.253 1.811 20 0 ADADHN OCCN1CCCc2sccc2C1 674006280 486785293 /nfs/dbraw/zinc/78/52/93/486785293.db2.gz QMFUZOHAOZPXDT-UHFFFAOYSA-N 0 3 197.303 1.489 20 0 ADADHN CCC1(C(=O)NC[C@@H](C)N(C)C)CC1 674081138 486786927 /nfs/dbraw/zinc/78/69/27/486786927.db2.gz UTEOTOYZWUHAMT-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H](NCC1(C)COC1)c1ccco1 70616933 486787403 /nfs/dbraw/zinc/78/74/03/486787403.db2.gz FMKDZTGOBABQBD-SECBINFHSA-N 0 3 195.262 1.967 20 0 ADADHN C[C@H](NCC1(C)COC1)c1ccco1 70616932 486787549 /nfs/dbraw/zinc/78/75/49/486787549.db2.gz FMKDZTGOBABQBD-VIFPVBQESA-N 0 3 195.262 1.967 20 0 ADADHN CCC1(C(=O)N(C)CCN(C)C)CC1 674136715 486787865 /nfs/dbraw/zinc/78/78/65/486787865.db2.gz QESSQJWEUCPEOY-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H](COC)NCc1ccccn1 70623693 486788537 /nfs/dbraw/zinc/78/85/37/486788537.db2.gz QUAUHONRXVCEIF-JTQLQIEISA-N 0 3 194.278 1.596 20 0 ADADHN CN(Cc1ccno1)C[C@H]1CCOC1 674232691 486788580 /nfs/dbraw/zinc/78/85/80/486788580.db2.gz BSPWJRJYRWLCNV-SECBINFHSA-N 0 3 196.250 1.143 20 0 ADADHN CC[C@H](COC)NCc1ccccn1 70623694 486788912 /nfs/dbraw/zinc/78/89/12/486788912.db2.gz QUAUHONRXVCEIF-SNVBAGLBSA-N 0 3 194.278 1.596 20 0 ADADHN Cc1cc(CNCC2(C)COC2)on1 70617393 486788990 /nfs/dbraw/zinc/78/89/90/486788990.db2.gz IXAHQHBFJCLQLF-UHFFFAOYSA-N 0 3 196.250 1.109 20 0 ADADHN CN(Cc1ccno1)C[C@@H]1CCOC1 674232693 486788993 /nfs/dbraw/zinc/78/89/93/486788993.db2.gz BSPWJRJYRWLCNV-VIFPVBQESA-N 0 3 196.250 1.143 20 0 ADADHN C[C@H](CNC(=O)C1(C)CCC1)N(C)C 674236517 486789048 /nfs/dbraw/zinc/78/90/48/486789048.db2.gz ZWULBNRKEZVXGV-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](COC)NCc1c[nH]nc1C 70624176 486789840 /nfs/dbraw/zinc/78/98/40/486789840.db2.gz BFCPCJAPICMSJA-SNVBAGLBSA-N 0 3 197.282 1.233 20 0 ADADHN CC[C@@H](COC)NCc1c[nH]nc1C 70624175 486790026 /nfs/dbraw/zinc/79/00/26/486790026.db2.gz BFCPCJAPICMSJA-JTQLQIEISA-N 0 3 197.282 1.233 20 0 ADADHN C1COC[C@@H](N2CCSCC2)C1 674286369 486790814 /nfs/dbraw/zinc/79/08/14/486790814.db2.gz ITYMJTBQTQPQKN-VIFPVBQESA-N 0 3 187.308 1.214 20 0 ADADHN CCNCc1ccnn1CCCOC 70631690 486790918 /nfs/dbraw/zinc/79/09/18/486790918.db2.gz VJVVPHPIVQOHGS-UHFFFAOYSA-N 0 3 197.282 1.029 20 0 ADADHN C1COC[C@H](N2CCSCC2)C1 674286354 486791346 /nfs/dbraw/zinc/79/13/46/486791346.db2.gz ITYMJTBQTQPQKN-SECBINFHSA-N 0 3 187.308 1.214 20 0 ADADHN CN(C)CCN(C)C(=O)C1(C)CCC1 674266091 486791353 /nfs/dbraw/zinc/79/13/53/486791353.db2.gz FCDPVFUKHXJYTL-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@@H]1C[C@@H](NCc2ncc[nH]2)CCO1 70646364 486791406 /nfs/dbraw/zinc/79/14/06/486791406.db2.gz OFMFMBUNSZXSNA-BDAKNGLRSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1C[C@@H](NCc2ncc[nH]2)CCO1 70646365 486791415 /nfs/dbraw/zinc/79/14/15/486791415.db2.gz OFMFMBUNSZXSNA-IUCAKERBSA-N 0 3 195.266 1.067 20 0 ADADHN CN(C)CCNC(=O)CCC1CCC1 674276301 486791419 /nfs/dbraw/zinc/79/14/19/486791419.db2.gz QQCRETBQEQEBCB-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C[C@H]1C[C@H](NCc2ncc[nH]2)CCO1 70646363 486791810 /nfs/dbraw/zinc/79/18/10/486791810.db2.gz OFMFMBUNSZXSNA-DTWKUNHWSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1C[C@H](NCc2ncc[nH]2)CCO1 70646362 486792002 /nfs/dbraw/zinc/79/20/02/486792002.db2.gz OFMFMBUNSZXSNA-RKDXNWHRSA-N 0 3 195.266 1.067 20 0 ADADHN CN(C)CCNC(=O)C[C@H]1C=CCC1 674308850 486793291 /nfs/dbraw/zinc/79/32/91/486793291.db2.gz CKWKXAOSNOYYCS-JTQLQIEISA-N 0 3 196.294 1.021 20 0 ADADHN CN(C)CCNC(=O)C[C@@H]1C=CCC1 674308851 486793639 /nfs/dbraw/zinc/79/36/39/486793639.db2.gz CKWKXAOSNOYYCS-SNVBAGLBSA-N 0 3 196.294 1.021 20 0 ADADHN C[C@H]1CCC[C@H]1NC(=O)CNC1CC1 70834508 486795151 /nfs/dbraw/zinc/79/51/51/486795151.db2.gz KYUOZAAJXSQNEH-WCBMZHEXSA-N 0 3 196.294 1.043 20 0 ADADHN CC(C)NCC(=O)N[C@H]1CCC[C@H]1C 70834485 486795198 /nfs/dbraw/zinc/79/51/98/486795198.db2.gz IKCWLWGIDKREQI-ZJUUUORDSA-N 0 3 198.310 1.289 20 0 ADADHN CCN(Cc1cncn1C)C1CCC1 674370646 486795221 /nfs/dbraw/zinc/79/52/21/486795221.db2.gz SZDDKMMULUPSQB-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN CC(C)NCC(=O)N[C@@H]1CCC[C@H]1C 70834492 486795341 /nfs/dbraw/zinc/79/53/41/486795341.db2.gz IKCWLWGIDKREQI-NXEZZACHSA-N 0 3 198.310 1.289 20 0 ADADHN Cn1cncc1CN1C2CCC1CC2 674370124 486795404 /nfs/dbraw/zinc/79/54/04/486795404.db2.gz NQPKQGSITMUAIK-UHFFFAOYSA-N 0 3 191.278 1.547 20 0 ADADHN CC[C@@H](C)CN(C)Cc1cncn1C 674369978 486795449 /nfs/dbraw/zinc/79/54/49/486795449.db2.gz OJYWSCPFBVTLIM-SNVBAGLBSA-N 0 3 195.310 1.898 20 0 ADADHN CC(C)NCC(=O)N[C@@H]1CCC[C@@H]1C 70834494 486795477 /nfs/dbraw/zinc/79/54/77/486795477.db2.gz IKCWLWGIDKREQI-VHSXEESVSA-N 0 3 198.310 1.289 20 0 ADADHN CC(C)CN(C)Cc1cncn1C 674370172 486795486 /nfs/dbraw/zinc/79/54/86/486795486.db2.gz POYRBEMGEKVBOL-UHFFFAOYSA-N 0 3 181.283 1.508 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C 70833941 486795495 /nfs/dbraw/zinc/79/54/95/486795495.db2.gz VOLYUIAZUSKUSN-AEJSXWLSSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@@H]1CCC[C@H]1NC(=O)CNC1CC1 70834505 486795509 /nfs/dbraw/zinc/79/55/09/486795509.db2.gz KYUOZAAJXSQNEH-PSASIEDQSA-N 0 3 196.294 1.043 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C 70833937 486795549 /nfs/dbraw/zinc/79/55/49/486795549.db2.gz VOLYUIAZUSKUSN-BBBLOLIVSA-N 0 3 198.310 1.275 20 0 ADADHN CCCN(CC)Cc1cncn1C 674369958 486795627 /nfs/dbraw/zinc/79/56/27/486795627.db2.gz ICHPVCZCZVKKAB-UHFFFAOYSA-N 0 3 181.283 1.652 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cncn1C 674370483 486795434 /nfs/dbraw/zinc/79/54/34/486795434.db2.gz XLLKMLYXWFOBLQ-SNVBAGLBSA-N 0 3 195.310 1.896 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C 70833934 486795639 /nfs/dbraw/zinc/79/56/39/486795639.db2.gz VOLYUIAZUSKUSN-GUBZILKMSA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)N(Cc1cncn1C)C1CC1 674370503 486795675 /nfs/dbraw/zinc/79/56/75/486795675.db2.gz YYHRUXQZXXWPSR-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CC(C)CCN(C)Cc1cncn1C 674370151 486795697 /nfs/dbraw/zinc/79/56/97/486795697.db2.gz PJCVCYVOIUKLQZ-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@H]1C 70833931 486795729 /nfs/dbraw/zinc/79/57/29/486795729.db2.gz VOLYUIAZUSKUSN-UTLUCORTSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H]1CCC[C@@H]1NC(=O)CNC1CC1 70834502 486795766 /nfs/dbraw/zinc/79/57/66/486795766.db2.gz KYUOZAAJXSQNEH-WPRPVWTQSA-N 0 3 196.294 1.043 20 0 ADADHN CC(C)NCC(=O)N[C@H]1CCC[C@@H]1C 70834488 486795813 /nfs/dbraw/zinc/79/58/13/486795813.db2.gz IKCWLWGIDKREQI-UWVGGRQHSA-N 0 3 198.310 1.289 20 0 ADADHN CCCN(Cc1cncn1C)C1CC1 674369806 486795829 /nfs/dbraw/zinc/79/58/29/486795829.db2.gz JEEWPMKPSCPPDS-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN CN(Cc1cncn1C)CC(C)(C)C 674369897 486795915 /nfs/dbraw/zinc/79/59/15/486795915.db2.gz 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UWWCZSHDNYAUAG-UHFFFAOYSA-N 0 3 182.271 1.201 20 0 ADADHN CCC1(C(=O)NCCN(C)C)CCC1 674391368 486796832 /nfs/dbraw/zinc/79/68/32/486796832.db2.gz GUSGOGLIJFIZGH-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@H](O)CNCc1ncccc1C 70908665 486797357 /nfs/dbraw/zinc/79/73/57/486797357.db2.gz YBBOOAXBSLQBSP-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN CCN(CC)CC(=O)N1CCC[C@H]1C 674423488 486797727 /nfs/dbraw/zinc/79/77/27/486797727.db2.gz CVACWQDAIBBSCB-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(CC)CC(=O)N1CCC[C@@H]1C 674423487 486797978 /nfs/dbraw/zinc/79/79/78/486797978.db2.gz CVACWQDAIBBSCB-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN Cc1ccc2c(c1)CN(CCO)CC2 74447865 486798867 /nfs/dbraw/zinc/79/88/67/486798867.db2.gz XSYVOAUUAUFKHG-UHFFFAOYSA-N 0 3 191.274 1.345 20 0 ADADHN Cc1cc(CNC2CC2)sn1 74332748 486798946 /nfs/dbraw/zinc/79/89/46/486798946.db2.gz RVFKNYKKQCHAMP-UHFFFAOYSA-N 0 3 168.265 1.704 20 0 ADADHN Cc1cc(CNC(C)C)nn1C 74335062 486799090 /nfs/dbraw/zinc/79/90/90/486799090.db2.gz OMACYSPOEXLMRZ-UHFFFAOYSA-N 0 3 167.256 1.227 20 0 ADADHN CCCNC(=O)[C@H](C)N1CCC[C@@H]1C 674458483 486799290 /nfs/dbraw/zinc/79/92/90/486799290.db2.gz GPIQVKFZZBHUFN-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN Cc1ncc(CNCC(C)C)o1 74333076 486799326 /nfs/dbraw/zinc/79/93/26/486799326.db2.gz IZHITLFDWYIWRZ-UHFFFAOYSA-N 0 3 168.240 1.729 20 0 ADADHN CCCNC(=O)[C@@H](C)N1CCC[C@H]1C 674458482 486799519 /nfs/dbraw/zinc/79/95/19/486799519.db2.gz GPIQVKFZZBHUFN-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CN(C)CCNC(=O)c1ccsc1 74717000 486799696 /nfs/dbraw/zinc/79/96/96/486799696.db2.gz RSHCJJKRADEVFT-UHFFFAOYSA-N 0 3 198.291 1.040 20 0 ADADHN CCCNC(=O)[C@@H](C)N1CCC[C@@H]1C 674458484 486799769 /nfs/dbraw/zinc/79/97/69/486799769.db2.gz GPIQVKFZZBHUFN-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCCNC(=O)[C@H](C)N1CCC[C@H]1C 674458485 486799854 /nfs/dbraw/zinc/79/98/54/486799854.db2.gz GPIQVKFZZBHUFN-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CCCNC(=O)CN1C[C@@H](C)[C@H](C)C1 674459769 486800178 /nfs/dbraw/zinc/80/01/78/486800178.db2.gz UMBQUZMRSPJDBO-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CCCNC(=O)CN1C[C@@H](C)[C@@H](C)C1 674459768 486800846 /nfs/dbraw/zinc/80/08/46/486800846.db2.gz UMBQUZMRSPJDBO-AOOOYVTPSA-N 0 3 198.310 1.100 20 0 ADADHN CCCNC(=O)CN1C[C@H](C)[C@@H](C)C1 674459770 486800881 /nfs/dbraw/zinc/80/08/81/486800881.db2.gz UMBQUZMRSPJDBO-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN CCC(=O)N(C)CCN1CCCCC1 74917206 486800978 /nfs/dbraw/zinc/80/09/78/486800978.db2.gz BZPMGKFYCKUCOZ-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN Oc1cccc(CN[C@@H]2CCOC2)c1 75120873 486801191 /nfs/dbraw/zinc/80/11/91/486801191.db2.gz SXZGPYMJBVCRJV-SNVBAGLBSA-N 0 3 193.246 1.271 20 0 ADADHN CO[C@H]1CCN(CCOCC2CC2)C1 674467843 486801359 /nfs/dbraw/zinc/80/13/59/486801359.db2.gz WIHMJVZCWGNXNI-NSHDSACASA-N 0 3 199.294 1.134 20 0 ADADHN CCCNC(=O)CN1CC[C@H](C)[C@H]1C 674466900 486801670 /nfs/dbraw/zinc/80/16/70/486801670.db2.gz PYDBDSKIHSFRKF-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CO[C@H]1CCN(CCOC(C)C)C1 674466053 486801903 /nfs/dbraw/zinc/80/19/03/486801903.db2.gz HIIRPRCHGKJWQV-JTQLQIEISA-N 0 3 187.283 1.132 20 0 ADADHN CC(C)NCC(=O)N(C)C(C)(C)C 77273302 486801950 /nfs/dbraw/zinc/80/19/50/486801950.db2.gz GRALBBSEZHOAJX-UHFFFAOYSA-N 0 3 186.299 1.241 20 0 ADADHN CCCNC(=O)CN1CC[C@H](C)[C@@H]1C 674466899 486801993 /nfs/dbraw/zinc/80/19/93/486801993.db2.gz PYDBDSKIHSFRKF-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCNC(=O)CN1CC[C@@H](C)[C@@H]1C 674466902 486802094 /nfs/dbraw/zinc/80/20/94/486802094.db2.gz PYDBDSKIHSFRKF-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CCCNC(=O)CN1CC[C@@H](C)[C@H]1C 674466898 486802228 /nfs/dbraw/zinc/80/22/28/486802228.db2.gz PYDBDSKIHSFRKF-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)NCCCC(C)(C)C 77273276 486802368 /nfs/dbraw/zinc/80/23/68/486802368.db2.gz SEUGADLHBOTVDG-UHFFFAOYSA-N 0 3 186.299 1.148 20 0 ADADHN C[C@H](N(C)CC(=O)N(C)C)C1(C)CC1 674506285 486804028 /nfs/dbraw/zinc/80/40/28/486804028.db2.gz FVAILIFJUOPVQC-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H](Cc1ccsc1)N(C)CCO 674498278 486804130 /nfs/dbraw/zinc/80/41/30/486804130.db2.gz GUFZSTHOYSITTL-SECBINFHSA-N 0 3 199.319 1.603 20 0 ADADHN C[C@@H](N(C)CC(=O)N(C)C)C1(C)CC1 674506284 486804209 /nfs/dbraw/zinc/80/42/09/486804209.db2.gz FVAILIFJUOPVQC-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H](Cc1ccsc1)N(C)CCO 674498279 486804307 /nfs/dbraw/zinc/80/43/07/486804307.db2.gz GUFZSTHOYSITTL-VIFPVBQESA-N 0 3 199.319 1.603 20 0 ADADHN CCCn1cc([C@@H](N)CC)nn1 82018427 486805638 /nfs/dbraw/zinc/80/56/38/486805638.db2.gz LCCRBYUUMNNXRS-ZETCQYMHSA-N 0 3 168.244 1.098 20 0 ADADHN CC(C)N(C)CC(=O)NCC1(C)CC1 674579559 486806386 /nfs/dbraw/zinc/80/63/86/486806386.db2.gz HKNVYLQBUYXAME-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)CC(=O)NC1CC(C)C1 674571131 486806395 /nfs/dbraw/zinc/80/63/95/486806395.db2.gz KFNLMPWZYXIBCX-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)CC(=O)NCC1(C)CC1 674579777 486806416 /nfs/dbraw/zinc/80/64/16/486806416.db2.gz MMCAVGKOTRYOSQ-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCCN(C)CC(=O)NCC1(C)CC1 674579689 486806597 /nfs/dbraw/zinc/80/65/97/486806597.db2.gz KUJOOQBFQUZRED-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN Cc1cnc(C)c(NCCN(C)C)n1 82188800 486806628 /nfs/dbraw/zinc/80/66/28/486806628.db2.gz APWXIEWCCZWBSU-UHFFFAOYSA-N 0 3 194.282 1.067 20 0 ADADHN CC1CC(NC(=O)CN(C)C(C)C)C1 674571964 486806805 /nfs/dbraw/zinc/80/68/05/486806805.db2.gz ZNPORKSHPGIKQR-UHFFFAOYSA-N 0 3 198.310 1.241 20 0 ADADHN CCCN(C)CC(=O)NC1CC(C)C1 674570947 486806966 /nfs/dbraw/zinc/80/69/66/486806966.db2.gz IBHKSNSXXPXHEL-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCNC(=O)CN(C)[C@H](C)C1(C)CC1 674650208 486807326 /nfs/dbraw/zinc/80/73/26/486807326.db2.gz MUVWVDLJYGKKOG-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CN(C)CCN(C)c1ncccc1F 674650627 486807382 /nfs/dbraw/zinc/80/73/82/486807382.db2.gz YOBBMYAQXRYJGP-UHFFFAOYSA-N 0 3 197.257 1.219 20 0 ADADHN CCNC(=O)CN(C)[C@@H](C)C1(C)CC1 674650209 486807416 /nfs/dbraw/zinc/80/74/16/486807416.db2.gz MUVWVDLJYGKKOG-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccnc(C)c1 82247657 486808412 /nfs/dbraw/zinc/80/84/12/486808412.db2.gz WHAZFNNRDATZKK-SECBINFHSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccncc1C 82247659 486808560 /nfs/dbraw/zinc/80/85/60/486808560.db2.gz VYDJZRKSKDLCTP-MRVPVSSYSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccc(C)cn1 82247661 486808640 /nfs/dbraw/zinc/80/86/40/486808640.db2.gz XQPYSIIYDJBILA-MRVPVSSYSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@@H](N)C(=O)Nc1cccc(C)n1 82247663 486808649 /nfs/dbraw/zinc/80/86/49/486808649.db2.gz AMELTNNWJNDMHU-MRVPVSSYSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@@H](N)C(=O)Nc1cc(C)ccn1 82247665 486808851 /nfs/dbraw/zinc/80/88/51/486808851.db2.gz SYIFDNPKFQFZRC-MRVPVSSYSA-N 0 3 193.250 1.066 20 0 ADADHN CCN(CC(=O)NC)C1CCCCC1 674743533 486809445 /nfs/dbraw/zinc/80/94/45/486809445.db2.gz CKHYNCOCQKMGBG-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC[C@H]1C(C)C 82263593 486809620 /nfs/dbraw/zinc/80/96/20/486809620.db2.gz XXZBEBMAMGDAMX-ZJUUUORDSA-N 0 3 198.310 1.371 20 0 ADADHN CCCCN(C)Cc1cnn(C)c1 674709367 486809721 /nfs/dbraw/zinc/80/97/21/486809721.db2.gz RPTWZROOAZFBIO-UHFFFAOYSA-N 0 3 181.283 1.652 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC[C@@H]1C(C)C 82263589 486809960 /nfs/dbraw/zinc/80/99/60/486809960.db2.gz XXZBEBMAMGDAMX-NXEZZACHSA-N 0 3 198.310 1.371 20 0 ADADHN CN(C)CCNC(=O)CC1CCCC1 82268942 486810007 /nfs/dbraw/zinc/81/00/07/486810007.db2.gz ZSUQSJZJMKBFIZ-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C[C@@H](c1ccco1)N(CCO)C1CC1 674756653 486810443 /nfs/dbraw/zinc/81/04/43/486810443.db2.gz JVLPSBHMRAWDIC-VIFPVBQESA-N 0 3 195.262 1.797 20 0 ADADHN CCOCCCN(C)Cc1cn[nH]c1 674752988 486810393 /nfs/dbraw/zinc/81/03/93/486810393.db2.gz RIYVONNTSSHLLC-UHFFFAOYSA-N 0 3 197.282 1.268 20 0 ADADHN CCCCN(C)C(=O)[C@@H]1CCCN1C 82317950 486810403 /nfs/dbraw/zinc/81/04/03/486810403.db2.gz HVGAFUHLBJTZEC-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCCN(C)Cc1ccc(OC)nc1 674750842 486810461 /nfs/dbraw/zinc/81/04/61/486810461.db2.gz VGPUBMMAKCFKCZ-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CN1CCCC[C@H]1C(=O)N1CCCC1 82300656 486810520 /nfs/dbraw/zinc/81/05/20/486810520.db2.gz HNZBDGZUTQNBST-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN COc1ccc(CN(C)C2CC2)cn1 674749945 486810582 /nfs/dbraw/zinc/81/05/82/486810582.db2.gz FBRLPFOHCBAYIO-UHFFFAOYSA-N 0 3 192.262 1.684 20 0 ADADHN CC(C)N(C)CC(=O)NC1CCCC1 674753627 486810606 /nfs/dbraw/zinc/81/06/06/486810606.db2.gz DKZZBVYNCIABQC-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H](c1ccco1)N(CCO)C1CC1 674756652 486810838 /nfs/dbraw/zinc/81/08/38/486810838.db2.gz JVLPSBHMRAWDIC-SECBINFHSA-N 0 3 195.262 1.797 20 0 ADADHN CN1CCCC[C@@H]1C(=O)N1CCCC1 82300655 486811144 /nfs/dbraw/zinc/81/11/44/486811144.db2.gz HNZBDGZUTQNBST-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN CC(C)N(C)Cc1cn[nH]c1 674753430 486811148 /nfs/dbraw/zinc/81/11/48/486811148.db2.gz 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/nfs/dbraw/zinc/83/24/71/486832471.db2.gz APIGXGOEBXJHFU-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN Cc1cccc(CNCCCO)c1F 83342764 486832502 /nfs/dbraw/zinc/83/25/02/486832502.db2.gz RYQLOADNDGWZLT-UHFFFAOYSA-N 0 3 197.253 1.606 20 0 ADADHN CC(C)C[C@H]1CCCN(CC(N)=O)C1 675249522 486832607 /nfs/dbraw/zinc/83/26/07/486832607.db2.gz GTKBRQQIBONSPU-SNVBAGLBSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@H](O)C[NH2+]Cc1ccc([O-])c(F)c1 83343142 486832671 /nfs/dbraw/zinc/83/26/71/486832671.db2.gz HIFASTKLVOXGLO-ZETCQYMHSA-N 0 3 199.225 1.002 20 0 ADADHN Cc1cccc(CNC[C@H](C)O)c1F 83342762 486832691 /nfs/dbraw/zinc/83/26/91/486832691.db2.gz APIGXGOEBXJHFU-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN CCN1CCC[C@@H]1c1cn(C)nc1C 675252828 486832710 /nfs/dbraw/zinc/83/27/10/486832710.db2.gz XXTJFEQKCNAVCS-LLVKDONJSA-N 0 3 193.294 1.885 20 0 ADADHN CCC(CC)CNC(=O)C(C)(C)N 83341191 486832762 /nfs/dbraw/zinc/83/27/62/486832762.db2.gz ZHSJCVGVYCNXKN-UHFFFAOYSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@H](N)C(=O)NCCC(C)(C)C 83341184 486832749 /nfs/dbraw/zinc/83/27/49/486832749.db2.gz LPZLHCOZUZUEEC-QMMMGPOBSA-N 0 3 186.299 1.276 20 0 ADADHN Cc1cccc(CNCCO)c1F 83340823 486832969 /nfs/dbraw/zinc/83/29/69/486832969.db2.gz UYWULAZLGZFEPB-UHFFFAOYSA-N 0 3 183.226 1.216 20 0 ADADHN CCN1CCC[C@H]1c1cn(C)nc1C 675252833 486832979 /nfs/dbraw/zinc/83/29/79/486832979.db2.gz XXTJFEQKCNAVCS-NSHDSACASA-N 0 3 193.294 1.885 20 0 ADADHN CC[C@@H](N)C(=O)NCCC(C)(C)C 83341185 486832996 /nfs/dbraw/zinc/83/29/96/486832996.db2.gz LPZLHCOZUZUEEC-MRVPVSSYSA-N 0 3 186.299 1.276 20 0 ADADHN CCC(CC)CNC(=O)[C@@H](N)CC 83341187 486833008 /nfs/dbraw/zinc/83/30/08/486833008.db2.gz SKBGMCGNUFMSII-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN CC(C)C[C@@H]1CCCN(CC(N)=O)C1 675249521 486833130 /nfs/dbraw/zinc/83/31/30/486833130.db2.gz GTKBRQQIBONSPU-JTQLQIEISA-N 0 3 198.310 1.230 20 0 ADADHN C[C@@H](O)C[NH2+]Cc1ccc([O-])c(F)c1 83343143 486833167 /nfs/dbraw/zinc/83/31/67/486833167.db2.gz HIFASTKLVOXGLO-SSDOTTSWSA-N 0 3 199.225 1.002 20 0 ADADHN CCC(CC)CNC(=O)C1(N)CC1 83340937 486833274 /nfs/dbraw/zinc/83/32/74/486833274.db2.gz RNVKNHANKZCZNK-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CCC(CC)(CC)NC(=O)CN 83388256 486833665 /nfs/dbraw/zinc/83/36/65/486833665.db2.gz FCWLPDCWDMKSBO-UHFFFAOYSA-N 0 3 172.272 1.030 20 0 ADADHN CCC(CC)(CC)NC(=O)CNC 83388242 486833704 /nfs/dbraw/zinc/83/37/04/486833704.db2.gz NSYJUZIFBDEKOG-UHFFFAOYSA-N 0 3 186.299 1.291 20 0 ADADHN CCC(CC)(CC)NC(=O)[C@@H](C)N 83388287 486834179 /nfs/dbraw/zinc/83/41/79/486834179.db2.gz ZTXFHVSRGLVFQV-MRVPVSSYSA-N 0 3 186.299 1.419 20 0 ADADHN CCC(CC)(CC)NC(=O)[C@H](C)N 83388235 486834259 /nfs/dbraw/zinc/83/42/59/486834259.db2.gz ZTXFHVSRGLVFQV-QMMMGPOBSA-N 0 3 186.299 1.419 20 0 ADADHN CC(C)N(C)CC(=O)NC1CC=CC1 675394501 486835750 /nfs/dbraw/zinc/83/57/50/486835750.db2.gz ILDDELZMDCZALR-UHFFFAOYSA-N 0 3 196.294 1.161 20 0 ADADHN CCCN(C)CC(=O)NC1CC=CC1 675393369 486835829 /nfs/dbraw/zinc/83/58/29/486835829.db2.gz HQJHLJVFAQOVGZ-UHFFFAOYSA-N 0 3 196.294 1.163 20 0 ADADHN CCN(CC)CC(=O)NC1CC=CC1 675393780 486835963 /nfs/dbraw/zinc/83/59/63/486835963.db2.gz CPKAHHMRCNRFBS-UHFFFAOYSA-N 0 3 196.294 1.163 20 0 ADADHN Cc1ncc(CNC(C)C)n1C 83534684 486836869 /nfs/dbraw/zinc/83/68/69/486836869.db2.gz LMSHAXXNYDDSFP-UHFFFAOYSA-N 0 3 167.256 1.227 20 0 ADADHN CCCN[C@H](C)c1ccn(C)n1 83574188 486837563 /nfs/dbraw/zinc/83/75/63/486837563.db2.gz DFELNNKSJYEHEL-MRVPVSSYSA-N 0 3 167.256 1.481 20 0 ADADHN CCCN[C@@H](C)c1ccn(C)n1 83574185 486837702 /nfs/dbraw/zinc/83/77/02/486837702.db2.gz DFELNNKSJYEHEL-QMMMGPOBSA-N 0 3 167.256 1.481 20 0 ADADHN C[C@H](CNC(=O)C1=CCCC1)N(C)C 675439638 486837855 /nfs/dbraw/zinc/83/78/55/486837855.db2.gz HCELHOVUHFRRTG-SECBINFHSA-N 0 3 196.294 1.163 20 0 ADADHN Cc1nnsc1CNCC(C)C 83575235 486837876 /nfs/dbraw/zinc/83/78/76/486837876.db2.gz OUFYLPURIIYVEA-UHFFFAOYSA-N 0 3 185.296 1.592 20 0 ADADHN Cc1nnsc1CNC(C)(C)C 83575233 486837989 /nfs/dbraw/zinc/83/79/89/486837989.db2.gz SWULNYMBXZOASW-UHFFFAOYSA-N 0 3 185.296 1.735 20 0 ADADHN Cc1nnsc1CNCC1CC1 83575256 486837997 /nfs/dbraw/zinc/83/79/97/486837997.db2.gz GKBLJVJEIMIRLZ-UHFFFAOYSA-N 0 3 183.280 1.346 20 0 ADADHN CC[C@H](C)NCc1snnc1C 83575262 486838003 /nfs/dbraw/zinc/83/80/03/486838003.db2.gz QSROBMRFNPTIPI-LURJTMIESA-N 0 3 185.296 1.735 20 0 ADADHN CCCCNCc1snnc1C 83575237 486838123 /nfs/dbraw/zinc/83/81/23/486838123.db2.gz MYGQTHIALVPPAE-UHFFFAOYSA-N 0 3 185.296 1.736 20 0 ADADHN CC[C@@H](C)NCc1snnc1C 83575260 486838145 /nfs/dbraw/zinc/83/81/45/486838145.db2.gz QSROBMRFNPTIPI-ZCFIWIBFSA-N 0 3 185.296 1.735 20 0 ADADHN CCCNCc1snnc1C 83575227 486838177 /nfs/dbraw/zinc/83/81/77/486838177.db2.gz NUTNZQPKJOXMQT-UHFFFAOYSA-N 0 3 171.269 1.346 20 0 ADADHN CC(=O)CN1CCC[C@H]2CCC[C@@H]21 83701700 486840095 /nfs/dbraw/zinc/84/00/95/486840095.db2.gz LVHXODRPYDJLHK-MNOVXSKESA-N 0 3 181.279 1.840 20 0 ADADHN CC(=O)CN1CCC[C@@H]2CCC[C@@H]21 83701702 486840410 /nfs/dbraw/zinc/84/04/10/486840410.db2.gz LVHXODRPYDJLHK-QWRGUYRKSA-N 0 3 181.279 1.840 20 0 ADADHN COc1cccc(CN(C)C(C)C)n1 675497614 486840671 /nfs/dbraw/zinc/84/06/71/486840671.db2.gz HDCQSOMOHJCMNA-UHFFFAOYSA-N 0 3 194.278 1.930 20 0 ADADHN COc1ccc(CN(C)C(C)C)cn1 675497700 486840768 /nfs/dbraw/zinc/84/07/68/486840768.db2.gz IBOBCVITSFTGPQ-UHFFFAOYSA-N 0 3 194.278 1.930 20 0 ADADHN COCCCN(C)Cc1cccn1C 675506360 486842096 /nfs/dbraw/zinc/84/20/96/486842096.db2.gz YRZAGTUKERHOAN-UHFFFAOYSA-N 0 3 196.294 1.493 20 0 ADADHN CCCC1(C(=O)NCCN(C)C)CC1 675528824 486842534 /nfs/dbraw/zinc/84/25/34/486842534.db2.gz GSDUOLFGIPNREZ-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CN(Cc1cccn1C)CC(C)(C)O 675506365 486842619 /nfs/dbraw/zinc/84/26/19/486842619.db2.gz YYZWLIUDLMSKIK-UHFFFAOYSA-N 0 3 196.294 1.228 20 0 ADADHN CCCN(C)Cc1cccn1C 675506284 486842633 /nfs/dbraw/zinc/84/26/33/486842633.db2.gz WOBGITWVJLPXSZ-UHFFFAOYSA-N 0 3 166.268 1.867 20 0 ADADHN C[C@H]1CCCN(C(=O)C2(N)CC2)[C@H]1C 83835792 486842915 /nfs/dbraw/zinc/84/29/15/486842915.db2.gz WBCFTSFANYKHTM-IUCAKERBSA-N 0 3 196.294 1.125 20 0 ADADHN CCC[C@@H](CC)NC(=O)C1(N)CC1 83835781 486842952 /nfs/dbraw/zinc/84/29/52/486842952.db2.gz FUVACICLIXNLDJ-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN C[C@H]1CCCC[C@@H]1NC(=O)C1(N)CC1 83833903 486842979 /nfs/dbraw/zinc/84/29/79/486842979.db2.gz FIKGQAHBAHCUIR-IUCAKERBSA-N 0 3 196.294 1.173 20 0 ADADHN Cc1ccc(NC(=O)C2(N)CC2)cc1 83833949 486842990 /nfs/dbraw/zinc/84/29/90/486842990.db2.gz WKCKFGZPPMGQKC-UHFFFAOYSA-N 0 3 190.246 1.425 20 0 ADADHN CC(C)CC[C@@H](C)NC(=O)C1(N)CC1 83834358 486842998 /nfs/dbraw/zinc/84/29/98/486842998.db2.gz YYZQIMWDUDWKAU-SECBINFHSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CCCN(C(=O)C2(N)CC2)[C@@H]1C 83835788 486843020 /nfs/dbraw/zinc/84/30/20/486843020.db2.gz WBCFTSFANYKHTM-DTWKUNHWSA-N 0 3 196.294 1.125 20 0 ADADHN CC(C)CC[C@H](C)NC(=O)C1(N)CC1 83834360 486843052 /nfs/dbraw/zinc/84/30/52/486843052.db2.gz YYZQIMWDUDWKAU-VIFPVBQESA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)[C@H](C)NC(=O)C1(N)CC1 83835493 486843121 /nfs/dbraw/zinc/84/31/21/486843121.db2.gz PDBVNAZMAAKGSK-SFYZADRCSA-N 0 3 184.283 1.029 20 0 ADADHN CCCN(CC1CC1)C(=O)C1(N)CC1 83834399 486843129 /nfs/dbraw/zinc/84/31/29/486843129.db2.gz MPUDLVNNMNJMGM-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CCC[C@@H](C)N(C)C(=O)C1(N)CC1 83834325 486843160 /nfs/dbraw/zinc/84/31/60/486843160.db2.gz UYEKFXNMXOBDNU-MRVPVSSYSA-N 0 3 184.283 1.125 20 0 ADADHN C[C@H]1[C@H](C)CCCN1C(=O)C1(N)CC1 83835790 486843171 /nfs/dbraw/zinc/84/31/71/486843171.db2.gz WBCFTSFANYKHTM-BDAKNGLRSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H]1CCCC[C@@H]1NC(=O)C1(N)CC1 83833901 486843193 /nfs/dbraw/zinc/84/31/93/486843193.db2.gz FIKGQAHBAHCUIR-BDAKNGLRSA-N 0 3 196.294 1.173 20 0 ADADHN CC(C)(C)N(CCC1CC1)CC(N)=O 675549919 486843345 /nfs/dbraw/zinc/84/33/45/486843345.db2.gz RBHFZHKHPIYVQU-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)N(CC1CC1)C(=O)C1(N)CC1 83835587 486843382 /nfs/dbraw/zinc/84/33/82/486843382.db2.gz LWGLXRDOYUKHON-UHFFFAOYSA-N 0 3 196.294 1.125 20 0 ADADHN NC1(C(=O)Nc2ccccc2F)CC1 83833899 486843390 /nfs/dbraw/zinc/84/33/90/486843390.db2.gz FTLXERZGGBESKJ-UHFFFAOYSA-N 0 3 194.209 1.256 20 0 ADADHN CC(C)CCCNC(=O)C1(N)CC1 83835094 486843479 /nfs/dbraw/zinc/84/34/79/486843479.db2.gz DUIVEUGIUQYKJY-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H](C)[C@@H](C)NC(=O)C1(N)CC1 83835491 486843488 /nfs/dbraw/zinc/84/34/88/486843488.db2.gz PDBVNAZMAAKGSK-JGVFFNPUSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H]1CCCC[C@H]1NC(=O)C1(N)CC1 83833905 486843498 /nfs/dbraw/zinc/84/34/98/486843498.db2.gz FIKGQAHBAHCUIR-RKDXNWHRSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@@H]1CCCN(C(=O)C2(N)CC2)[C@@H]1C 83835786 486843529 /nfs/dbraw/zinc/84/35/29/486843529.db2.gz WBCFTSFANYKHTM-RKDXNWHRSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H]1CCCC[C@H]1NC(=O)C1(N)CC1 83833907 486843588 /nfs/dbraw/zinc/84/35/88/486843588.db2.gz FIKGQAHBAHCUIR-DTWKUNHWSA-N 0 3 196.294 1.173 20 0 ADADHN CCOCCN(C)CCOC(C)C 675553053 486843914 /nfs/dbraw/zinc/84/39/14/486843914.db2.gz OBNVTMLGLMZZSG-UHFFFAOYSA-N 0 3 189.299 1.380 20 0 ADADHN CC[C@@H](C)[C@@H](C)NC(=O)C1(N)CC1 83835489 486843719 /nfs/dbraw/zinc/84/37/19/486843719.db2.gz PDBVNAZMAAKGSK-HTQZYQBOSA-N 0 3 184.283 1.029 20 0 ADADHN CCC[C@H](CC)NC(=O)C1(N)CC1 83835782 486843731 /nfs/dbraw/zinc/84/37/31/486843731.db2.gz FUVACICLIXNLDJ-QMMMGPOBSA-N 0 3 184.283 1.173 20 0 ADADHN Cc1cccc(NC(=O)C2(N)CC2)c1 83833969 486843743 /nfs/dbraw/zinc/84/37/43/486843743.db2.gz KQBIXZJIZVTDCN-UHFFFAOYSA-N 0 3 190.246 1.425 20 0 ADADHN CC(C)C[C@H](C)NC(=O)C1(N)CC1 83834145 486843797 /nfs/dbraw/zinc/84/37/97/486843797.db2.gz QLBRPFYJKLFGKT-QMMMGPOBSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](C)[C@H](C)NC(=O)C1(N)CC1 83835494 486843807 /nfs/dbraw/zinc/84/38/07/486843807.db2.gz PDBVNAZMAAKGSK-YUMQZZPRSA-N 0 3 184.283 1.029 20 0 ADADHN CCC[C@H](C)N(C)C(=O)C1(N)CC1 83834328 486843901 /nfs/dbraw/zinc/84/39/01/486843901.db2.gz UYEKFXNMXOBDNU-QMMMGPOBSA-N 0 3 184.283 1.125 20 0 ADADHN C[C@@H]1CCN(C(=O)C2(N)CC2)[C@H](C)C1 83835814 486843946 /nfs/dbraw/zinc/84/39/46/486843946.db2.gz CXKWVUIWSGXXFX-RKDXNWHRSA-N 0 3 196.294 1.125 20 0 ADADHN CC(C)C[C@@H](C)NC(=O)C1(N)CC1 83834143 486843965 /nfs/dbraw/zinc/84/39/65/486843965.db2.gz QLBRPFYJKLFGKT-MRVPVSSYSA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)=CCN(CC(N)=O)C(C)(C)C 675549953 486844058 /nfs/dbraw/zinc/84/40/58/486844058.db2.gz SACMSNYFTMFYJJ-UHFFFAOYSA-N 0 3 198.310 1.538 20 0 ADADHN CC[C@@H](C)C(=O)N1CCNCC1(C)C 83842549 486844299 /nfs/dbraw/zinc/84/42/99/486844299.db2.gz RIJAABDDCKBBNH-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C)C(=O)N1CCNCC1(C)C 83842550 486844598 /nfs/dbraw/zinc/84/45/98/486844598.db2.gz RIJAABDDCKBBNH-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCn1cc(CN(C)CC2CC2)cn1 675639930 486845687 /nfs/dbraw/zinc/84/56/87/486845687.db2.gz JNZYDOKXQGIHGO-UHFFFAOYSA-N 0 3 193.294 1.745 20 0 ADADHN CC[C@@H](C)C[C@H](C)NC(=O)[C@H](C)N 83865802 486845845 /nfs/dbraw/zinc/84/58/45/486845845.db2.gz PLEIRMFWAMWODG-VGMNWLOBSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](C)C[C@@H](C)NC(=O)[C@H](C)N 83865797 486845883 /nfs/dbraw/zinc/84/58/83/486845883.db2.gz PLEIRMFWAMWODG-HLTSFMKQSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)N 83865985 486846014 /nfs/dbraw/zinc/84/60/14/486846014.db2.gz PLEIRMFWAMWODG-XHNCKOQMSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)C[C@H](C)NC(=O)CNC 83865940 486846078 /nfs/dbraw/zinc/84/60/78/486846078.db2.gz OOMHIKOUVUMNAU-IUCAKERBSA-N 0 3 186.299 1.147 20 0 ADADHN CC[C@@H](C)C[C@@H](C)NC(=O)C1(N)CC1 83865745 486846176 /nfs/dbraw/zinc/84/61/76/486846176.db2.gz YCHPGCTYARHKMB-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)C[C@H](C)NC(=O)C1(N)CC1 83865747 486846190 /nfs/dbraw/zinc/84/61/90/486846190.db2.gz YCHPGCTYARHKMB-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H](C)N 83865979 486846202 /nfs/dbraw/zinc/84/62/02/486846202.db2.gz PLEIRMFWAMWODG-IWSPIJDZSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](C)N 83865799 486846363 /nfs/dbraw/zinc/84/63/63/486846363.db2.gz PLEIRMFWAMWODG-YIZRAAEISA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H](C)N 83865983 486846299 /nfs/dbraw/zinc/84/62/99/486846299.db2.gz PLEIRMFWAMWODG-HRDYMLBCSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)C[C@H](C)NC(=O)C1(N)CC1 83865748 486846511 /nfs/dbraw/zinc/84/65/11/486846511.db2.gz YCHPGCTYARHKMB-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)C[C@@H](C)NC(=O)C1(N)CC1 83865746 486846544 /nfs/dbraw/zinc/84/65/44/486846544.db2.gz YCHPGCTYARHKMB-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)C[C@H](C)NC(=O)CNC 83865938 486846586 /nfs/dbraw/zinc/84/65/86/486846586.db2.gz OOMHIKOUVUMNAU-BDAKNGLRSA-N 0 3 186.299 1.147 20 0 ADADHN CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)N 83865803 486846663 /nfs/dbraw/zinc/84/66/63/486846663.db2.gz PLEIRMFWAMWODG-CIUDSAMLSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](C)C[C@@H](C)NC(=O)CNC 83865934 486846690 /nfs/dbraw/zinc/84/66/90/486846690.db2.gz OOMHIKOUVUMNAU-RKDXNWHRSA-N 0 3 186.299 1.147 20 0 ADADHN CC[C@H](C)C[C@@H](C)NC(=O)CNC 83865936 486846744 /nfs/dbraw/zinc/84/67/44/486846744.db2.gz OOMHIKOUVUMNAU-DTWKUNHWSA-N 0 3 186.299 1.147 20 0 ADADHN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)N 83865981 486846785 /nfs/dbraw/zinc/84/67/85/486846785.db2.gz PLEIRMFWAMWODG-DJLDLDEBSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NCCC1CC1 83894363 486847192 /nfs/dbraw/zinc/84/71/92/486847192.db2.gz BZYNUYIIXNDQFK-WPRPVWTQSA-N 0 3 198.310 1.276 20 0 ADADHN CCC[C@](C)(N)C(=O)NCCC1CC1 83894488 486847318 /nfs/dbraw/zinc/84/73/18/486847318.db2.gz OUNJOHCDTJWRNA-NSHDSACASA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)NCCC1CC1 83894396 486847336 /nfs/dbraw/zinc/84/73/36/486847336.db2.gz BZYNUYIIXNDQFK-SCZZXKLOSA-N 0 3 198.310 1.276 20 0 ADADHN O=C(NCCC1CC1)[C@@H]1CCCCN1 83894332 486847402 /nfs/dbraw/zinc/84/74/02/486847402.db2.gz SMJGNINYEPOSAP-JTQLQIEISA-N 0 3 196.294 1.045 20 0 ADADHN O=C(NCCC1CC1)[C@H]1CCCCN1 83894333 486847516 /nfs/dbraw/zinc/84/75/16/486847516.db2.gz SMJGNINYEPOSAP-SNVBAGLBSA-N 0 3 196.294 1.045 20 0 ADADHN CCC[C@@](C)(N)C(=O)NCCC1CC1 83894489 486847652 /nfs/dbraw/zinc/84/76/52/486847652.db2.gz OUNJOHCDTJWRNA-LLVKDONJSA-N 0 3 198.310 1.420 20 0 ADADHN CC(C)C[C@H](N)C(=O)NCCC1CC1 83894338 486847737 /nfs/dbraw/zinc/84/77/37/486847737.db2.gz YRDCWEUZGOTNNR-JTQLQIEISA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)C[C@@H](N)C(=O)NCCC1CC1 83894373 486847788 /nfs/dbraw/zinc/84/77/88/486847788.db2.gz YRDCWEUZGOTNNR-SNVBAGLBSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)NCCC1CC1 83894421 486847822 /nfs/dbraw/zinc/84/78/22/486847822.db2.gz SSYQNWPKVXWNBB-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN NC1(C(=O)NCCC2CC2)CCCC1 83894376 486847868 /nfs/dbraw/zinc/84/78/68/486847868.db2.gz IFTUELVUZBMSQO-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN Cc1noc(CCCN2CCCC2)n1 675643630 486848197 /nfs/dbraw/zinc/84/81/97/486848197.db2.gz TYCWZNAQFFEZLY-UHFFFAOYSA-N 0 3 195.266 1.406 20 0 ADADHN CN(Cc1cn[nH]c1)CC1CC1 675646967 486848454 /nfs/dbraw/zinc/84/84/54/486848454.db2.gz MNYMEDHTQAHNNU-UHFFFAOYSA-N 0 3 165.240 1.252 20 0 ADADHN CNCC(=O)N1CCC[C@H]1CC(C)C 83937111 486848839 /nfs/dbraw/zinc/84/88/39/486848839.db2.gz XTUKPWWKJGXZKB-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C(=O)NC[C@@H]1C[C@@H]1C)N(C)C 675720065 486849431 /nfs/dbraw/zinc/84/94/31/486849431.db2.gz HETHCMDGIWFGIP-LPEHRKFASA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@H](C(=O)NC[C@H]1C[C@@H]1C)N(C)C 675720063 486849473 /nfs/dbraw/zinc/84/94/73/486849473.db2.gz HETHCMDGIWFGIP-IVZWLZJFSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@H](C(=O)NC[C@@H]1C[C@H]1C)N(C)C 675720064 486849527 /nfs/dbraw/zinc/84/95/27/486849527.db2.gz HETHCMDGIWFGIP-KXUCPTDWSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@H](C(=O)NC[C@H]1C[C@H]1C)N(C)C 675720066 486849653 /nfs/dbraw/zinc/84/96/53/486849653.db2.gz HETHCMDGIWFGIP-OPRDCNLKSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@H](C(=O)NCC1CCC1)N(C)C 675720281 486849687 /nfs/dbraw/zinc/84/96/87/486849687.db2.gz VFEZNPVYNOBNIO-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C(=O)NC1CCCC1)N(C)C 675720031 486849858 /nfs/dbraw/zinc/84/98/58/486849858.db2.gz DCBMNAMOIZDSKQ-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C(=O)N(C)CC1CC1)N(C)C 675720245 486849828 /nfs/dbraw/zinc/84/98/28/486849828.db2.gz QXKSJRXUTGNLAS-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@@H](C(=O)NC1CCCC1)N(C)C 675720030 486849917 /nfs/dbraw/zinc/84/99/17/486849917.db2.gz DCBMNAMOIZDSKQ-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H](C(=O)NCC1CCC1)N(C)C 675720280 486849953 /nfs/dbraw/zinc/84/99/53/486849953.db2.gz VFEZNPVYNOBNIO-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C(=O)N(C)CC1CC1)N(C)C 675720244 486849994 /nfs/dbraw/zinc/84/99/94/486849994.db2.gz QXKSJRXUTGNLAS-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN Cn1ncnc1CNC1(C)CCCC1 83970735 486850018 /nfs/dbraw/zinc/85/00/18/486850018.db2.gz QYYUXNMMULYOHV-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN CNCC(=O)N1CCC[C@@H]1CC(C)C 83937114 486850068 /nfs/dbraw/zinc/85/00/68/486850068.db2.gz XTUKPWWKJGXZKB-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C(=O)NCCC1CC1)N(C)C 675810154 486850553 /nfs/dbraw/zinc/85/05/53/486850553.db2.gz JAHAACULZSOWLP-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)Cc1cnn(C)c1C 675884690 486850653 /nfs/dbraw/zinc/85/06/53/486850653.db2.gz PRLZSUROYLWBPK-UHFFFAOYSA-N 0 3 181.283 1.570 20 0 ADADHN Cc1c(CN(C)CC(C)C)cnn1C 675886909 486850732 /nfs/dbraw/zinc/85/07/32/486850732.db2.gz PCYOTKPJUTZLHR-UHFFFAOYSA-N 0 3 195.310 1.816 20 0 ADADHN CC[C@@H](C(=O)NC1CC=CC1)N(C)C 675834038 486850752 /nfs/dbraw/zinc/85/07/52/486850752.db2.gz UHDUZUJSSBWSJM-JTQLQIEISA-N 0 3 196.294 1.161 20 0 ADADHN CCN(CC)Cc1cncc(OC)c1 675818049 486850983 /nfs/dbraw/zinc/85/09/83/486850983.db2.gz LUWPCSXXOGFFLR-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CCN(Cc1cnn(C)c1C)C1CC1 675884766 486851007 /nfs/dbraw/zinc/85/10/07/486851007.db2.gz SMLMIBGTMFYJQR-UHFFFAOYSA-N 0 3 193.294 1.713 20 0 ADADHN CCn1ncnc1CNCC1CCC1 83977522 486851012 /nfs/dbraw/zinc/85/10/12/486851012.db2.gz PXSJQUGHCDUFSO-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN CC[C@H](C(=O)NC1CC(C)C1)N(C)C 675816728 486851019 /nfs/dbraw/zinc/85/10/19/486851019.db2.gz GIFSLQNWENXZAU-UDNWOFFPSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C(=O)NCC1(C)CC1)N(C)C 675819470 486851056 /nfs/dbraw/zinc/85/10/56/486851056.db2.gz GHPJXHRUGZVCCB-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C(=O)NC1CC(C)C1)N(C)C 675816727 486851077 /nfs/dbraw/zinc/85/10/77/486851077.db2.gz GIFSLQNWENXZAU-RTBKNWGFSA-N 0 3 198.310 1.241 20 0 ADADHN CCCN(CC)Cc1cnn(C)c1C 675887227 486851132 /nfs/dbraw/zinc/85/11/32/486851132.db2.gz YPVYYSAPNUHSPQ-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN CC[C@@H](C(=O)NCCC1CC1)N(C)C 675810153 486851143 /nfs/dbraw/zinc/85/11/43/486851143.db2.gz JAHAACULZSOWLP-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C(=O)NCC1(C)CC1)N(C)C 675819471 486851169 /nfs/dbraw/zinc/85/11/69/486851169.db2.gz GHPJXHRUGZVCCB-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C(=O)NC1CC=CC1)N(C)C 675834224 486851223 /nfs/dbraw/zinc/85/12/23/486851223.db2.gz UHDUZUJSSBWSJM-SNVBAGLBSA-N 0 3 196.294 1.161 20 0 ADADHN CCCCN(C)Cc1cnn(C)c1C 675883719 486851239 /nfs/dbraw/zinc/85/12/39/486851239.db2.gz ISVKQRIAHCJVET-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN CCn1ncnc1CN[C@@H](C)C1CC1 83977637 486851276 /nfs/dbraw/zinc/85/12/76/486851276.db2.gz ADMFGTJRQKBGNX-QMMMGPOBSA-N 0 3 194.282 1.186 20 0 ADADHN CCN(CCCF)Cc1cnn(C)c1 675888855 486851331 /nfs/dbraw/zinc/85/13/31/486851331.db2.gz QGLRPDJWFSPWQO-UHFFFAOYSA-N 0 3 199.273 1.602 20 0 ADADHN CCn1ncnc1CN[C@H](C)C1CC1 83977639 486851561 /nfs/dbraw/zinc/85/15/61/486851561.db2.gz ADMFGTJRQKBGNX-MRVPVSSYSA-N 0 3 194.282 1.186 20 0 ADADHN C[C@H]1OCCN(CC2(C)COC2)[C@@H]1C 675897038 486851774 /nfs/dbraw/zinc/85/17/74/486851774.db2.gz DWYKRCAYUKMQTM-NXEZZACHSA-N 0 3 199.294 1.132 20 0 ADADHN COCCCN1CCO[C@H](C)[C@@H]1C 675897376 486851877 /nfs/dbraw/zinc/85/18/77/486851877.db2.gz SXIJCEWUZXKZFP-VHSXEESVSA-N 0 3 187.283 1.132 20 0 ADADHN COCCCN1CCO[C@@H](C)[C@H]1C 675897377 486851958 /nfs/dbraw/zinc/85/19/58/486851958.db2.gz SXIJCEWUZXKZFP-ZJUUUORDSA-N 0 3 187.283 1.132 20 0 ADADHN COCCN1CCC(C(F)F)CC1 675903221 486852048 /nfs/dbraw/zinc/85/20/48/486852048.db2.gz AWVAWCIQWYXVMY-UHFFFAOYSA-N 0 3 193.237 1.610 20 0 ADADHN C[C@@H]1OCCN(C[C@@H]2CCOC2)[C@@H]1C 675897445 486852069 /nfs/dbraw/zinc/85/20/69/486852069.db2.gz XFXVBAKQTDKRDC-VWYCJHECSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCCN(C[C@@H]2CCOC2)[C@H]1C 675897442 486852110 /nfs/dbraw/zinc/85/21/10/486852110.db2.gz XFXVBAKQTDKRDC-DCAQKATOSA-N 0 3 199.294 1.132 20 0 ADADHN CC(C)NCC(=O)N[C@@H]1CC=CCC1 84067327 486852124 /nfs/dbraw/zinc/85/21/24/486852124.db2.gz PCVAPYIUBBKYNR-SNVBAGLBSA-N 0 3 196.294 1.209 20 0 ADADHN C[C@@H]1OCCN(C[C@H]2CCOC2)[C@H]1C 675897443 486852155 /nfs/dbraw/zinc/85/21/55/486852155.db2.gz XFXVBAKQTDKRDC-GARJFASQSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCCN(CC2(C)COC2)[C@H]1C 675897039 486852177 /nfs/dbraw/zinc/85/21/77/486852177.db2.gz DWYKRCAYUKMQTM-UWVGGRQHSA-N 0 3 199.294 1.132 20 0 ADADHN CCCN(C)Cc1cnn(C)c1C 675892357 486852235 /nfs/dbraw/zinc/85/22/35/486852235.db2.gz NXXHMQTXYMSAMO-UHFFFAOYSA-N 0 3 181.283 1.570 20 0 ADADHN COCCCN1CCO[C@H](C)[C@H]1C 675897374 486852255 /nfs/dbraw/zinc/85/22/55/486852255.db2.gz SXIJCEWUZXKZFP-NXEZZACHSA-N 0 3 187.283 1.132 20 0 ADADHN C[C@H]1[C@@H](C)OCCN1CC1(C)COC1 675897040 486852280 /nfs/dbraw/zinc/85/22/80/486852280.db2.gz DWYKRCAYUKMQTM-VHSXEESVSA-N 0 3 199.294 1.132 20 0 ADADHN Cn1ncnc1CN[C@@H]1CC=CCC1 84067828 486852300 /nfs/dbraw/zinc/85/23/00/486852300.db2.gz RLSDGNNNLNQCQK-SECBINFHSA-N 0 3 192.266 1.013 20 0 ADADHN C[C@@H]1OCCN(CC2(C)COC2)[C@@H]1C 675897041 486852418 /nfs/dbraw/zinc/85/24/18/486852418.db2.gz DWYKRCAYUKMQTM-ZJUUUORDSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCCN(C[C@H]2CCOC2)[C@@H]1C 675897444 486852431 /nfs/dbraw/zinc/85/24/31/486852431.db2.gz XFXVBAKQTDKRDC-OUAUKWLOSA-N 0 3 199.294 1.132 20 0 ADADHN COCCCN1CCO[C@@H](C)[C@@H]1C 675897375 486852504 /nfs/dbraw/zinc/85/25/04/486852504.db2.gz SXIJCEWUZXKZFP-UWVGGRQHSA-N 0 3 187.283 1.132 20 0 ADADHN Cn1ncnc1CN[C@H]1CC=CCC1 84067827 486852555 /nfs/dbraw/zinc/85/25/55/486852555.db2.gz RLSDGNNNLNQCQK-VIFPVBQESA-N 0 3 192.266 1.013 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@H]1CC=CCC1 84067077 486852594 /nfs/dbraw/zinc/85/25/94/486852594.db2.gz YCLVFLWKHZKSNX-VHSXEESVSA-N 0 3 196.294 1.195 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CC=CCC1 84067078 486852724 /nfs/dbraw/zinc/85/27/24/486852724.db2.gz YCLVFLWKHZKSNX-NXEZZACHSA-N 0 3 196.294 1.195 20 0 ADADHN CC(C)NCC(=O)N[C@H]1CC=CCC1 84067326 486852752 /nfs/dbraw/zinc/85/27/52/486852752.db2.gz PCVAPYIUBBKYNR-JTQLQIEISA-N 0 3 196.294 1.209 20 0 ADADHN CC[C@H](C)CN(C)[C@H]1CCCNC1=O 675962431 486853032 /nfs/dbraw/zinc/85/30/32/486853032.db2.gz KRKKCUYSTNDXSK-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C)N(C)Cc1cnn(C)c1C 675959821 486853066 /nfs/dbraw/zinc/85/30/66/486853066.db2.gz LZJPUPDJNGJKOU-VIFPVBQESA-N 0 3 195.310 1.959 20 0 ADADHN CC(=O)CN1CCC[C@H]1C(C)C 84126653 486853167 /nfs/dbraw/zinc/85/31/67/486853167.db2.gz YWQRYGDMIVUNLW-JTQLQIEISA-N 0 3 169.268 1.696 20 0 ADADHN CCCN(C)Cc1cncc(OC)c1 675943967 486853168 /nfs/dbraw/zinc/85/31/68/486853168.db2.gz ZIMINDHFNYSASG-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CC[C@@H](C)N(C)Cc1cnn(C)c1C 675959820 486853227 /nfs/dbraw/zinc/85/32/27/486853227.db2.gz LZJPUPDJNGJKOU-SECBINFHSA-N 0 3 195.310 1.959 20 0 ADADHN CC(C)CCN(C)[C@H]1CCCNC1=O 675952528 486853394 /nfs/dbraw/zinc/85/33/94/486853394.db2.gz AGZYZACOGPIFGG-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)CN(C)[C@H]1CCCNC1=O 675962433 486853337 /nfs/dbraw/zinc/85/33/37/486853337.db2.gz KRKKCUYSTNDXSK-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CN[C@@H](C)C(=O)N1CCC[C@H]1C(C)C 84126351 486853344 /nfs/dbraw/zinc/85/33/44/486853344.db2.gz RCYNALIVTQNEKI-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CCN(C)[C@@H]1CCCNC1=O 675952532 486853450 /nfs/dbraw/zinc/85/34/50/486853450.db2.gz AGZYZACOGPIFGG-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CN[C@@H](C)C(=O)N1CCC[C@@H]1C(C)C 84126353 486853489 /nfs/dbraw/zinc/85/34/89/486853489.db2.gz RCYNALIVTQNEKI-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C)CN(C)[C@@H]1CCCNC1=O 675962430 486853493 /nfs/dbraw/zinc/85/34/93/486853493.db2.gz KRKKCUYSTNDXSK-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C)CN(C)[C@@H]1CCCNC1=O 675962432 486853618 /nfs/dbraw/zinc/85/36/18/486853618.db2.gz KRKKCUYSTNDXSK-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CC(=O)CN1CCC[C@@H]1C(C)C 84126655 486854274 /nfs/dbraw/zinc/85/42/74/486854274.db2.gz YWQRYGDMIVUNLW-SNVBAGLBSA-N 0 3 169.268 1.696 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C 84201846 486854574 /nfs/dbraw/zinc/85/45/74/486854574.db2.gz UFYGGADLMUHXDS-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C 84199792 486854585 /nfs/dbraw/zinc/85/45/85/486854585.db2.gz JLOGSHXFETWDME-UTLUCORTSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](C)CCC[C@H]1C 84199857 486854601 /nfs/dbraw/zinc/85/46/01/486854601.db2.gz ULGQHAJRZNOXDI-AEJSXWLSSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C 84201972 486854611 /nfs/dbraw/zinc/85/46/11/486854611.db2.gz GBJPFZMQRADTFA-HRDYMLBCSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C 84201859 486854629 /nfs/dbraw/zinc/85/46/29/486854629.db2.gz YMGNOOSISUDQFW-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H](C)[C@H](C)CC 84201552 486854658 /nfs/dbraw/zinc/85/46/58/486854658.db2.gz GLPNUNALLFHNMV-VGMNWLOBSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](N)C(=O)N1[C@H](C)CCC[C@H]1C 84199866 486854672 /nfs/dbraw/zinc/85/46/72/486854672.db2.gz ULGQHAJRZNOXDI-BBBLOLIVSA-N 0 3 198.310 1.513 20 0 ADADHN CCC[C@H](C)[C@@H]1CCCN1CC(N)=O 676041457 486855236 /nfs/dbraw/zinc/85/52/36/486855236.db2.gz HIKQGAUBEOAUMJ-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CCN(C)[C@H]1CCCc2c1cnn2C 676717199 486869083 /nfs/dbraw/zinc/86/90/83/486869083.db2.gz GUMJKGMNZBNKIZ-JTQLQIEISA-N 0 3 193.294 1.749 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)C1 84199961 486854783 /nfs/dbraw/zinc/85/47/83/486854783.db2.gz ZEYAZKOPZNHHPC-UTLUCORTSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCC[C@@H](C)C1 84199951 486854821 /nfs/dbraw/zinc/85/48/21/486854821.db2.gz ZEYAZKOPZNHHPC-KXUCPTDWSA-N 0 3 198.310 1.419 20 0 ADADHN CCC[C@@H](C)[C@H]1CCCN1CC(N)=O 676041456 486854829 /nfs/dbraw/zinc/85/48/29/486854829.db2.gz HIKQGAUBEOAUMJ-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1C 84201963 486854830 /nfs/dbraw/zinc/85/48/30/486854830.db2.gz GBJPFZMQRADTFA-IWSPIJDZSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)CC 84201544 486854875 /nfs/dbraw/zinc/85/48/75/486854875.db2.gz GLPNUNALLFHNMV-CIUDSAMLSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@H](C)C[C@@H](C)C1 84199809 486854912 /nfs/dbraw/zinc/85/49/12/486854912.db2.gz YLQFGAPKCGSAHX-BBBLOLIVSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1C 84199778 486854930 /nfs/dbraw/zinc/85/49/30/486854930.db2.gz JLOGSHXFETWDME-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)CC[C@H]1CCCN1CC(N)=O 676041436 486854937 /nfs/dbraw/zinc/85/49/37/486854937.db2.gz GGFCITRDHWGJIP-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CC[C@@H]1CCCN1CC(N)=O 676041435 486854963 /nfs/dbraw/zinc/85/49/63/486854963.db2.gz GGFCITRDHWGJIP-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)C1 84199955 486854983 /nfs/dbraw/zinc/85/49/83/486854983.db2.gz ZEYAZKOPZNHHPC-BBBLOLIVSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@H]1C 84201979 486855006 /nfs/dbraw/zinc/85/50/06/486855006.db2.gz GBJPFZMQRADTFA-VGMNWLOBSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@@H](C)CCC[C@H]1C 84199849 486855019 /nfs/dbraw/zinc/85/50/19/486855019.db2.gz ULGQHAJRZNOXDI-KXUCPTDWSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@H]1C 84201835 486855043 /nfs/dbraw/zinc/85/50/43/486855043.db2.gz UFYGGADLMUHXDS-IVZWLZJFSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCCC[C@H]1C 84199784 486855058 /nfs/dbraw/zinc/85/50/58/486855058.db2.gz JLOGSHXFETWDME-BBBLOLIVSA-N 0 3 198.310 1.419 20 0 ADADHN CCC[C@H](C)[C@H]1CCCN1CC(N)=O 676041458 486855075 /nfs/dbraw/zinc/85/50/75/486855075.db2.gz HIKQGAUBEOAUMJ-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@H](C)[C@@H]1CCCN1CC(N)=O 676041459 486855132 /nfs/dbraw/zinc/85/51/32/486855132.db2.gz HIKQGAUBEOAUMJ-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C 84201852 486855152 /nfs/dbraw/zinc/85/51/52/486855152.db2.gz YMGNOOSISUDQFW-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](C)CCC[C@@H]1C 84199862 486855176 /nfs/dbraw/zinc/85/51/76/486855176.db2.gz ULGQHAJRZNOXDI-GUBZILKMSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@@H](N)C(=O)N(C)c1ccccc1 84199675 486855203 /nfs/dbraw/zinc/85/52/03/486855203.db2.gz PTKVNNILTIXKGN-SNVBAGLBSA-N 0 3 192.262 1.387 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C 84199787 486855214 /nfs/dbraw/zinc/85/52/14/486855214.db2.gz JLOGSHXFETWDME-KXUCPTDWSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@@H](C)CCC[C@@H]1C 84199851 486855267 /nfs/dbraw/zinc/85/52/67/486855267.db2.gz ULGQHAJRZNOXDI-LPEHRKFASA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H](C)C1 84199947 486855277 /nfs/dbraw/zinc/85/52/77/486855277.db2.gz ZEYAZKOPZNHHPC-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN CCCCC[C@@H]1CCCN1CC(N)=O 676041784 486855281 /nfs/dbraw/zinc/85/52/81/486855281.db2.gz ODRFSUOSGYRQNK-SNVBAGLBSA-N 0 3 198.310 1.516 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@H](C)CCC[C@H]1C 84199855 486855308 /nfs/dbraw/zinc/85/53/08/486855308.db2.gz ULGQHAJRZNOXDI-OPRDCNLKSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@H](N)C(=O)N[C@H](C)[C@H](C)CC 84201555 486855320 /nfs/dbraw/zinc/85/53/20/486855320.db2.gz GLPNUNALLFHNMV-HLTSFMKQSA-N 0 3 186.299 1.275 20 0 ADADHN CCCCC[C@H]1CCCN1CC(N)=O 676041783 486855389 /nfs/dbraw/zinc/85/53/89/486855389.db2.gz ODRFSUOSGYRQNK-JTQLQIEISA-N 0 3 198.310 1.516 20 0 ADADHN CC[C@@H](N)C(=O)N1C[C@H](C)C[C@@H](C)C1 84199804 486855431 /nfs/dbraw/zinc/85/54/31/486855431.db2.gz YLQFGAPKCGSAHX-OPRDCNLKSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)N[C@H](C)[C@@H](C)CC 84201547 486855443 /nfs/dbraw/zinc/85/54/43/486855443.db2.gz GLPNUNALLFHNMV-YIZRAAEISA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C 84201841 486855450 /nfs/dbraw/zinc/85/54/50/486855450.db2.gz UFYGGADLMUHXDS-AEJSXWLSSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCC[C@H]1C 84201968 486855457 /nfs/dbraw/zinc/85/54/57/486855457.db2.gz GBJPFZMQRADTFA-HLTSFMKQSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C 84201838 486855499 /nfs/dbraw/zinc/85/54/99/486855499.db2.gz UFYGGADLMUHXDS-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)CN1CC(C(F)F)C1 676222534 486858240 /nfs/dbraw/zinc/85/82/40/486858240.db2.gz PLCTYIAGKRDXBM-UHFFFAOYSA-N 0 3 163.211 1.839 20 0 ADADHN CC(C)(C)CCN1CC(C)(O)C1 84357160 486859427 /nfs/dbraw/zinc/85/94/27/486859427.db2.gz JYRWJGOHEVRYHC-UHFFFAOYSA-N 0 3 171.284 1.489 20 0 ADADHN Cc1n[nH]cc1CN(C)CC1CCC1 676462487 486861913 /nfs/dbraw/zinc/86/19/13/486861913.db2.gz CFZUWHZZRBCUAZ-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN CCN(CCO)[C@H](C)c1cccnc1 676486530 486862517 /nfs/dbraw/zinc/86/25/17/486862517.db2.gz XEHKQHNKHRFAFV-SNVBAGLBSA-N 0 3 194.278 1.457 20 0 ADADHN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)N)C1 84837064 486862674 /nfs/dbraw/zinc/86/26/74/486862674.db2.gz MJOYXXBUSZOYLS-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN CCN(CCO)[C@@H](C)c1ccccn1 676486029 486862729 /nfs/dbraw/zinc/86/27/29/486862729.db2.gz NFFISZKAADDGNY-JTQLQIEISA-N 0 3 194.278 1.457 20 0 ADADHN CC[C@H]1CCC[C@H](NC(=O)[C@@H](C)N)C1 84837063 486862797 /nfs/dbraw/zinc/86/27/97/486862797.db2.gz MJOYXXBUSZOYLS-UTLUCORTSA-N 0 3 198.310 1.419 20 0 ADADHN CCN(CCO)[C@H](C)c1ccccn1 676486030 486863082 /nfs/dbraw/zinc/86/30/82/486863082.db2.gz NFFISZKAADDGNY-SNVBAGLBSA-N 0 3 194.278 1.457 20 0 ADADHN CCN(CCO)[C@@H](C)c1cccnc1 676486529 486863178 /nfs/dbraw/zinc/86/31/78/486863178.db2.gz XEHKQHNKHRFAFV-JTQLQIEISA-N 0 3 194.278 1.457 20 0 ADADHN CCN(CCO)Cc1ccc(C)cn1 676558802 486863798 /nfs/dbraw/zinc/86/37/98/486863798.db2.gz QQXDFHJRVOSEDQ-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN CCN(CCO)Cc1cnccc1C 676558794 486863992 /nfs/dbraw/zinc/86/39/92/486863992.db2.gz QMNYCJNOUGWGTH-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN COCCNCc1cncn1C(C)C 85187719 486865329 /nfs/dbraw/zinc/86/53/29/486865329.db2.gz HDWYALUYUCPFMY-UHFFFAOYSA-N 0 3 197.282 1.200 20 0 ADADHN CCn1cncc1CN[C@@H](C)COC 85182961 486865445 /nfs/dbraw/zinc/86/54/45/486865445.db2.gz PNFAVXNNXFLTSX-VIFPVBQESA-N 0 3 197.282 1.028 20 0 ADADHN CC1=C(C(=O)NCCN(C)C)CCC1 676572426 486865477 /nfs/dbraw/zinc/86/54/77/486865477.db2.gz BKDZJQBZTHTEQG-UHFFFAOYSA-N 0 3 196.294 1.165 20 0 ADADHN CC(C)n1cncc1CNC1CC1 85187692 486865625 /nfs/dbraw/zinc/86/56/25/486865625.db2.gz PGGXXNZQKNZYNC-UHFFFAOYSA-N 0 3 179.267 1.716 20 0 ADADHN CCCNCc1cncn1C(C)C 85187703 486865756 /nfs/dbraw/zinc/86/57/56/486865756.db2.gz RYMNILXSMHVUCK-UHFFFAOYSA-N 0 3 181.283 1.964 20 0 ADADHN CC(C)NCc1cncn1C(C)C 85187718 486865767 /nfs/dbraw/zinc/86/57/67/486865767.db2.gz YOZPDBCXZCNFKV-UHFFFAOYSA-N 0 3 181.283 1.962 20 0 ADADHN CCNCc1cncn1C(C)C 85187707 486865847 /nfs/dbraw/zinc/86/58/47/486865847.db2.gz GRPFFVZLISHMAU-UHFFFAOYSA-N 0 3 167.256 1.574 20 0 ADADHN CC[C@H](C)N(C)CC(=O)N1CCCC1 676688406 486866261 /nfs/dbraw/zinc/86/62/61/486866261.db2.gz LETQVTPPPIQMCQ-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)N(CCN(C)C)C(=O)C1CC1 676664219 486866507 /nfs/dbraw/zinc/86/65/07/486866507.db2.gz BUQUXPWTTJVGGQ-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@@H](C)N(C)CC(=O)N1CCCC1 676688407 486866630 /nfs/dbraw/zinc/86/66/30/486866630.db2.gz LETQVTPPPIQMCQ-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCNC(=O)CN(CC1CC1)C(C)C 676633690 486866792 /nfs/dbraw/zinc/86/67/92/486866792.db2.gz LTKQXIQGSMSUFK-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCNC(=O)CN(C(C)C)C1CCC1 676703422 486867005 /nfs/dbraw/zinc/86/70/05/486867005.db2.gz MREWZAHBQLRFDW-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H](C(=O)N(C)C)N(C)CCC1CC1 676716072 486867321 /nfs/dbraw/zinc/86/73/21/486867321.db2.gz BXAHPBFQTSYVAJ-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN CCN(C)C(=O)CN(C)CCC1CC1 676716060 486868146 /nfs/dbraw/zinc/86/81/46/486868146.db2.gz AQSZHMOVBIFLBP-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCOCCN1CCCOC[C@H]1C 676712750 486868287 /nfs/dbraw/zinc/86/82/87/486868287.db2.gz LXJLJGXHTXPQSV-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN C[C@@H](C(=O)N(C)C)N(C)CCC1CC1 676716073 486868299 /nfs/dbraw/zinc/86/82/99/486868299.db2.gz BXAHPBFQTSYVAJ-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN CCn1cc(CNCC(C)C)nn1 85273571 486868321 /nfs/dbraw/zinc/86/83/21/486868321.db2.gz GVGHRZFPAPYVRW-UHFFFAOYSA-N 0 3 182.271 1.044 20 0 ADADHN CCOCCN1CCCOC[C@@H]1C 676712741 486868405 /nfs/dbraw/zinc/86/84/05/486868405.db2.gz LXJLJGXHTXPQSV-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccsc1 85535068 486868615 /nfs/dbraw/zinc/86/86/15/486868615.db2.gz GYWXYHXXOMDQEV-SSDOTTSWSA-N 0 3 184.264 1.424 20 0 ADADHN Cn1ccc(CNC[C@@H]2CCCO2)c1 85590047 486868657 /nfs/dbraw/zinc/86/86/57/486868657.db2.gz FLAAGGWHWPCBCV-NSHDSACASA-N 0 3 194.278 1.294 20 0 ADADHN c1cc(CNC[C@@H]2CCCO2)c[nH]1 85578774 486868706 /nfs/dbraw/zinc/86/87/06/486868706.db2.gz OWCHCZTYJHEJSY-JTQLQIEISA-N 0 3 180.251 1.283 20 0 ADADHN c1cc(CNC[C@H]2CCCO2)c[nH]1 85578775 486868734 /nfs/dbraw/zinc/86/87/34/486868734.db2.gz OWCHCZTYJHEJSY-SNVBAGLBSA-N 0 3 180.251 1.283 20 0 ADADHN O=C(CNC1CC1)Nc1ccsc1 85535231 486868750 /nfs/dbraw/zinc/86/87/50/486868750.db2.gz PESRTUXHYHMREV-UHFFFAOYSA-N 0 3 196.275 1.439 20 0 ADADHN COCCCN1CCOCC12CCC2 676716498 486868852 /nfs/dbraw/zinc/86/88/52/486868852.db2.gz LUSUYOPBUHDZJH-UHFFFAOYSA-N 0 3 199.294 1.278 20 0 ADADHN COC[C@H](C)NCc1cc[nH]c1 85578664 486868907 /nfs/dbraw/zinc/86/89/07/486868907.db2.gz XIVYAMNRMQTEAU-QMMMGPOBSA-N 0 3 168.240 1.139 20 0 ADADHN CN[C@@H](C)C(=O)Nc1ccsc1 85535153 486868922 /nfs/dbraw/zinc/86/89/22/486868922.db2.gz UHSMSZDEIRAJCN-LURJTMIESA-N 0 3 184.264 1.295 20 0 ADADHN CC(C)NCC(=O)Nc1ccsc1 85535135 486869051 /nfs/dbraw/zinc/86/90/51/486869051.db2.gz PSQHYRNCCWCBIU-UHFFFAOYSA-N 0 3 198.291 1.685 20 0 ADADHN OCCCCN1CCOCC12CCC2 676716513 486869253 /nfs/dbraw/zinc/86/92/53/486869253.db2.gz ACDXKUDRSWYXOR-UHFFFAOYSA-N 0 3 199.294 1.014 20 0 ADADHN CN(CCC1CC1)Cc1cncn1C 676716176 486869414 /nfs/dbraw/zinc/86/94/14/486869414.db2.gz MJIDYQGJOZDVAT-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN Cn1ccc(CNC[C@H]2CCCO2)c1 85590050 486869502 /nfs/dbraw/zinc/86/95/02/486869502.db2.gz FLAAGGWHWPCBCV-LLVKDONJSA-N 0 3 194.278 1.294 20 0 ADADHN CCN(C)[C@@H]1CCCc2c1cnn2C 676717200 486869654 /nfs/dbraw/zinc/86/96/54/486869654.db2.gz GUMJKGMNZBNKIZ-SNVBAGLBSA-N 0 3 193.294 1.749 20 0 ADADHN COC[C@H](C)NCc1ccn(C)c1 85589821 486869664 /nfs/dbraw/zinc/86/96/64/486869664.db2.gz JYRDAEWBANVYIN-VIFPVBQESA-N 0 3 182.267 1.150 20 0 ADADHN c1[nH]nc2c1CCN(CCC1CC1)C2 676797468 486870203 /nfs/dbraw/zinc/87/02/03/486870203.db2.gz KBRLBBHFYCMCAA-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN c1[nH]nc2c1CCN(CC1CCC1)C2 676794236 486870302 /nfs/dbraw/zinc/87/03/02/486870302.db2.gz BAYKUCZECVXWNS-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN CC[C@@H](C)CN1CCc2c[nH]nc2C1 676792771 486870348 /nfs/dbraw/zinc/87/03/48/486870348.db2.gz SBIUSIXXPAFNPW-SECBINFHSA-N 0 3 193.294 1.814 20 0 ADADHN CCCCCN1CCc2c[nH]nc2C1 676796087 486870489 /nfs/dbraw/zinc/87/04/89/486870489.db2.gz XPQPWYYQMNHBEC-UHFFFAOYSA-N 0 3 193.294 1.958 20 0 ADADHN CC(C)=CCN1CCc2cn[nH]c2C1 676792360 486870570 /nfs/dbraw/zinc/87/05/70/486870570.db2.gz MYOAGIKBHQGAMN-UHFFFAOYSA-N 0 3 191.278 1.734 20 0 ADADHN CC[C@H](C)CN1CCc2c[nH]nc2C1 676792774 486870640 /nfs/dbraw/zinc/87/06/40/486870640.db2.gz SBIUSIXXPAFNPW-VIFPVBQESA-N 0 3 193.294 1.814 20 0 ADADHN CC(=O)CN1C[C@H](C)[C@@H](C)C1 86010852 486871103 /nfs/dbraw/zinc/87/11/03/486871103.db2.gz MBTGULHTFBRVJV-YUMQZZPRSA-N 0 3 155.241 1.163 20 0 ADADHN CC(C)NCC(=O)N1C[C@H](C)[C@@H](C)C1 86014006 486871123 /nfs/dbraw/zinc/87/11/23/486871123.db2.gz XWJMTAKWTJCMDH-UWVGGRQHSA-N 0 3 198.310 1.099 20 0 ADADHN CC(=O)CN1C[C@@H](C)[C@@H](C)C1 86010850 486871370 /nfs/dbraw/zinc/87/13/70/486871370.db2.gz MBTGULHTFBRVJV-OCAPTIKFSA-N 0 3 155.241 1.163 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 86013603 486871448 /nfs/dbraw/zinc/87/14/48/486871448.db2.gz PHQMOPUYZSZYLV-LPEHRKFASA-N 0 3 198.310 1.084 20 0 ADADHN CC(=O)CN1C[C@@H](C)[C@H](C)C1 86010854 486871538 /nfs/dbraw/zinc/87/15/38/486871538.db2.gz MBTGULHTFBRVJV-HTQZYQBOSA-N 0 3 155.241 1.163 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1C[C@@H](C)[C@H](C)C1 86013605 486871612 /nfs/dbraw/zinc/87/16/12/486871612.db2.gz PHQMOPUYZSZYLV-OPRDCNLKSA-N 0 3 198.310 1.084 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1C[C@@H](C)[C@@H](C)C1 86013602 486871664 /nfs/dbraw/zinc/87/16/64/486871664.db2.gz PHQMOPUYZSZYLV-KXUCPTDWSA-N 0 3 198.310 1.084 20 0 ADADHN CC(C)NCC(=O)N1C[C@@H](C)[C@@H](C)C1 86014004 486871802 /nfs/dbraw/zinc/87/18/02/486871802.db2.gz XWJMTAKWTJCMDH-AOOOYVTPSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)[C@@H](C)C1 86014229 486872114 /nfs/dbraw/zinc/87/21/14/486872114.db2.gz PHQMOPUYZSZYLV-AEJSXWLSSA-N 0 3 198.310 1.084 20 0 ADADHN CC(C)NCC(=O)N1C[C@@H](C)[C@H](C)C1 86014010 486872236 /nfs/dbraw/zinc/87/22/36/486872236.db2.gz XWJMTAKWTJCMDH-NXEZZACHSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)[C@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 86014232 486872349 /nfs/dbraw/zinc/87/23/49/486872349.db2.gz PHQMOPUYZSZYLV-GUBZILKMSA-N 0 3 198.310 1.084 20 0 ADADHN CC(C)[C@H](N)C(=O)N1C[C@@H](C)[C@H](C)C1 86014235 486872439 /nfs/dbraw/zinc/87/24/39/486872439.db2.gz PHQMOPUYZSZYLV-BBBLOLIVSA-N 0 3 198.310 1.084 20 0 ADADHN CC[C@@H](O)CNCc1c(C)noc1C 86110653 486874221 /nfs/dbraw/zinc/87/42/21/486874221.db2.gz ZIOLZEFEGCIJAI-SECBINFHSA-N 0 3 198.266 1.152 20 0 ADADHN Cc1noc(C)c1[C@H](C)NC[C@H](C)O 86110499 486874362 /nfs/dbraw/zinc/87/43/62/486874362.db2.gz CWYNSUGEIZCUCW-BQBZGAKWSA-N 0 3 198.266 1.323 20 0 ADADHN Cc1noc(C)c1[C@@H](C)NC[C@@H](C)O 86110494 486874430 /nfs/dbraw/zinc/87/44/30/486874430.db2.gz CWYNSUGEIZCUCW-RNFRBKRXSA-N 0 3 198.266 1.323 20 0 ADADHN Cc1noc(C)c1[C@H](C)NC[C@@H](C)O 86110495 486874561 /nfs/dbraw/zinc/87/45/61/486874561.db2.gz CWYNSUGEIZCUCW-RQJHMYQMSA-N 0 3 198.266 1.323 20 0 ADADHN Cc1noc(C)c1[C@@H](C)NC[C@H](C)O 86110497 486874943 /nfs/dbraw/zinc/87/49/43/486874943.db2.gz CWYNSUGEIZCUCW-NKWVEPMBSA-N 0 3 198.266 1.323 20 0 ADADHN C[C@H](CNC(=O)[C@H]1CC1(C)C)N(C)C 677049924 486877364 /nfs/dbraw/zinc/87/73/64/486877364.db2.gz VIERSHHZFVOXHB-RKDXNWHRSA-N 0 3 198.310 1.099 20 0 ADADHN CCN(C)CCc1nccs1 677061740 486877868 /nfs/dbraw/zinc/87/78/68/486877868.db2.gz ACRLSLLOEAVQFQ-UHFFFAOYSA-N 0 3 170.281 1.637 20 0 ADADHN CN(C)CCN(C)C(=O)[C@H]1CC1(C)C 677055846 486878553 /nfs/dbraw/zinc/87/85/53/486878553.db2.gz SADSCYVOJWXEQR-SECBINFHSA-N 0 3 198.310 1.053 20 0 ADADHN CCN1CCN(CC=C(C)C)C[C@H]1C 677192101 486880737 /nfs/dbraw/zinc/88/07/37/486880737.db2.gz JHIJBDLLVOQXKW-GFCCVEGCSA-N 0 3 196.338 1.979 20 0 ADADHN CCN1CCN(CC=C(C)C)C[C@@H]1C 677192102 486881018 /nfs/dbraw/zinc/88/10/18/486881018.db2.gz JHIJBDLLVOQXKW-LBPRGKRZSA-N 0 3 196.338 1.979 20 0 ADADHN CC[C@H](C)CN(CC)C(=O)C1(N)CC1 86439369 486881124 /nfs/dbraw/zinc/88/11/24/486881124.db2.gz XPBWUASBMMLSIO-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CCN1CCN(C(C)C)C[C@H]1C 677197391 486881175 /nfs/dbraw/zinc/88/11/75/486881175.db2.gz WKEVNKNDMWWEDZ-SNVBAGLBSA-N 0 3 170.300 1.421 20 0 ADADHN CC[C@H](C)CN(CC)C(=O)[C@H](C)N 86439670 486881199 /nfs/dbraw/zinc/88/11/99/486881199.db2.gz WKUFVQNOIFKAEX-IUCAKERBSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)CN(CC)C(=O)C1(N)CC1 86439368 486881389 /nfs/dbraw/zinc/88/13/89/486881389.db2.gz XPBWUASBMMLSIO-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C)CN(CC)C(=O)[C@H](C)N 86439668 486881467 /nfs/dbraw/zinc/88/14/67/486881467.db2.gz WKUFVQNOIFKAEX-BDAKNGLRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C)CN(CC)CC(C)=O 86438014 486881521 /nfs/dbraw/zinc/88/15/21/486881521.db2.gz XRXFDMZSKGBPGH-VIFPVBQESA-N 0 3 171.284 1.943 20 0 ADADHN CC[C@@H](C)CN(CC)C(=O)[C@@H](C)N 86439602 486881668 /nfs/dbraw/zinc/88/16/68/486881668.db2.gz WKUFVQNOIFKAEX-RKDXNWHRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)CN(CC)C(=O)CNC 86439362 486881986 /nfs/dbraw/zinc/88/19/86/486881986.db2.gz NITLPSZMDICKMH-SECBINFHSA-N 0 3 186.299 1.100 20 0 ADADHN CC[C@@H](C)CN(CC)CC(C)=O 86438012 486882060 /nfs/dbraw/zinc/88/20/60/486882060.db2.gz XRXFDMZSKGBPGH-SECBINFHSA-N 0 3 171.284 1.943 20 0 ADADHN CC[C@H](C)CN(CC)C(=O)[C@@H](C)N 86439604 486882089 /nfs/dbraw/zinc/88/20/89/486882089.db2.gz WKUFVQNOIFKAEX-DTWKUNHWSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C)CN(CC)C(=O)CNC 86439365 486881961 /nfs/dbraw/zinc/88/19/61/486881961.db2.gz NITLPSZMDICKMH-VIFPVBQESA-N 0 3 186.299 1.100 20 0 ADADHN CC(C)N(C)CC(=O)NC1(C)CCC1 677290132 486882723 /nfs/dbraw/zinc/88/27/23/486882723.db2.gz HISHQUICJQVGAN-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CCN(CC)CC(=O)NC1(C)CCC1 677290615 486883074 /nfs/dbraw/zinc/88/30/74/486883074.db2.gz NIWBIFJIFIOYSS-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCCN(C)CC(=O)NC1(C)CCC1 677290382 486883179 /nfs/dbraw/zinc/88/31/79/486883179.db2.gz MIAHRDGZUBINMU-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN Cc1noc(C)c1CCN(C)C1CC1 677375328 486884667 /nfs/dbraw/zinc/88/46/67/486884667.db2.gz NNBIEQUBURHRJV-UHFFFAOYSA-N 0 3 194.278 1.928 20 0 ADADHN CCOC[C@H](O)CN1CC=C(C)CC1 677379592 486885682 /nfs/dbraw/zinc/88/56/82/486885682.db2.gz FAQCSHCGSFASNT-LLVKDONJSA-N 0 3 199.294 1.036 20 0 ADADHN CCOC[C@@H](O)CN1CC=C(C)CC1 677379593 486885866 /nfs/dbraw/zinc/88/58/66/486885866.db2.gz FAQCSHCGSFASNT-NSHDSACASA-N 0 3 199.294 1.036 20 0 ADADHN CCN(CC)Cc1ccnc(OC)c1 677476939 486887516 /nfs/dbraw/zinc/88/75/16/486887516.db2.gz KPCCAUYYPABNDB-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCCC1(C)C 86876944 486889081 /nfs/dbraw/zinc/88/90/81/486889081.db2.gz HSAFCOPDMBBVJT-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H]1CCCC1(C)C 86877241 486889336 /nfs/dbraw/zinc/88/93/36/486889336.db2.gz GLKFCWDRMWNBBS-DTWKUNHWSA-N 0 3 198.310 1.289 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H]1CCCC1(C)C 86877247 486889729 /nfs/dbraw/zinc/88/97/29/486889729.db2.gz GLKFCWDRMWNBBS-IUCAKERBSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCCC1(C)C 86876942 486889761 /nfs/dbraw/zinc/88/97/61/486889761.db2.gz HSAFCOPDMBBVJT-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](O)CN(C)Cc1cccc(O)c1 87182647 486891112 /nfs/dbraw/zinc/89/11/12/486891112.db2.gz XFBQVXHAXVAZJM-VIFPVBQESA-N 0 3 195.262 1.205 20 0 ADADHN OCCNCc1ccc(C2CC2)cc1 87011798 486891178 /nfs/dbraw/zinc/89/11/78/486891178.db2.gz SKRVLWCVDCAJJZ-UHFFFAOYSA-N 0 3 191.274 1.646 20 0 ADADHN OCCNCc1cccc(C2CC2)c1 87011796 486891295 /nfs/dbraw/zinc/89/12/95/486891295.db2.gz TXNAJNOJJYIYEB-UHFFFAOYSA-N 0 3 191.274 1.646 20 0 ADADHN C[C@@H](O)CN(C)Cc1cccc(O)c1 87182649 486891310 /nfs/dbraw/zinc/89/13/10/486891310.db2.gz XFBQVXHAXVAZJM-SECBINFHSA-N 0 3 195.262 1.205 20 0 ADADHN CN(C)CCN(C)Cc1cccn1C 677691724 486892464 /nfs/dbraw/zinc/89/24/64/486892464.db2.gz IMANVHBFUIDTNL-UHFFFAOYSA-N 0 3 195.310 1.019 20 0 ADADHN CN(CCN1CCCC1)CC(F)F 677682095 486892592 /nfs/dbraw/zinc/89/25/92/486892592.db2.gz QCBFEPLHXODVSX-UHFFFAOYSA-N 0 3 192.253 1.279 20 0 ADADHN Cc1occc1CN(C)CCN(C)C 677678959 486893047 /nfs/dbraw/zinc/89/30/47/486893047.db2.gz MJGZCKBHTDZWLP-UHFFFAOYSA-N 0 3 196.294 1.581 20 0 ADADHN COCCNCc1ccc(C)cc1F 87331632 486893183 /nfs/dbraw/zinc/89/31/83/486893183.db2.gz FWXGIEOCOOJWFC-UHFFFAOYSA-N 0 3 197.253 1.870 20 0 ADADHN CN(C)CCN(C)Cc1nccs1 677687563 486893185 /nfs/dbraw/zinc/89/31/85/486893185.db2.gz BCOZMPZINSYVQE-UHFFFAOYSA-N 0 3 199.323 1.137 20 0 ADADHN CN(C)CCN(C)Cc1cscn1 677678458 486893238 /nfs/dbraw/zinc/89/32/38/486893238.db2.gz QDYUPAWCIHESRM-UHFFFAOYSA-N 0 3 199.323 1.137 20 0 ADADHN CC[C@H](O)CNCc1cscc1C 87310762 486893277 /nfs/dbraw/zinc/89/32/77/486893277.db2.gz SLVYHRXTWSKAKL-JTQLQIEISA-N 0 3 199.319 1.917 20 0 ADADHN Cc1cscc1CNC[C@H](C)O 87310775 486893375 /nfs/dbraw/zinc/89/33/75/486893375.db2.gz NWGMWSXLGDZJGJ-QMMMGPOBSA-N 0 3 185.292 1.527 20 0 ADADHN CC[C@@H](O)CNCc1cscc1C 87310763 486893579 /nfs/dbraw/zinc/89/35/79/486893579.db2.gz SLVYHRXTWSKAKL-SNVBAGLBSA-N 0 3 199.319 1.917 20 0 ADADHN Cc1cscc1CNCCC(N)=O 87310688 486893606 /nfs/dbraw/zinc/89/36/06/486893606.db2.gz YMALHLLTYIGPPZ-UHFFFAOYSA-N 0 3 198.291 1.022 20 0 ADADHN CCCCCN1CCNC(=O)C[C@H]1C 677714415 486893614 /nfs/dbraw/zinc/89/36/14/486893614.db2.gz ANPIJDVIMWNMGL-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCCN1CCNC(=O)C[C@@H]1C 677714414 486893660 /nfs/dbraw/zinc/89/36/60/486893660.db2.gz ANPIJDVIMWNMGL-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN Cc1cscc1CNC[C@@H](C)O 87310774 486893722 /nfs/dbraw/zinc/89/37/22/486893722.db2.gz NWGMWSXLGDZJGJ-MRVPVSSYSA-N 0 3 185.292 1.527 20 0 ADADHN CC(C)=CCN1CCNC(=O)C[C@@H]1C 677715521 486893832 /nfs/dbraw/zinc/89/38/32/486893832.db2.gz PAYZPYDVRYFMAH-JTQLQIEISA-N 0 3 196.294 1.163 20 0 ADADHN CC[C@H](C(N)=O)N1CCC2(CC1)CC2 677716546 486894124 /nfs/dbraw/zinc/89/41/24/486894124.db2.gz JISNRTNZHKIUKC-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN CC(C)=CCN1CCNC(=O)C[C@H]1C 677715522 486894203 /nfs/dbraw/zinc/89/42/03/486894203.db2.gz PAYZPYDVRYFMAH-SNVBAGLBSA-N 0 3 196.294 1.163 20 0 ADADHN c1c[nH]c(CN2CCC3(CC2)CC3)n1 677717781 486894474 /nfs/dbraw/zinc/89/44/74/486894474.db2.gz QYIVZFMHGNWGQM-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN C[C@H](CCCO)NCc1ccccn1 87358499 486894529 /nfs/dbraw/zinc/89/45/29/486894529.db2.gz OZTSIEUEBWKDFR-SNVBAGLBSA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@@H](C(N)=O)N1CCC2(CC1)CC2 677716549 486894570 /nfs/dbraw/zinc/89/45/70/486894570.db2.gz JISNRTNZHKIUKC-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN CCOCCN(C)C1(COC)CC1 677726242 486895130 /nfs/dbraw/zinc/89/51/30/486895130.db2.gz MBYXVIBXIFQILZ-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN COCC1(N(C)C[C@@H]2CCCO2)CC1 677728907 486895706 /nfs/dbraw/zinc/89/57/06/486895706.db2.gz OEQGZMNSGSJSEW-JTQLQIEISA-N 0 3 199.294 1.276 20 0 ADADHN COCC1(N(C)C[C@H]2CCCO2)CC1 677728908 486895855 /nfs/dbraw/zinc/89/58/55/486895855.db2.gz OEQGZMNSGSJSEW-SNVBAGLBSA-N 0 3 199.294 1.276 20 0 ADADHN CC[C@]1(C)COCCN1CCOC 677728671 486896109 /nfs/dbraw/zinc/89/61/09/486896109.db2.gz JRYSUXBSXOBMTE-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@@]1(C)COCCN1CCOC 677728670 486896379 /nfs/dbraw/zinc/89/63/79/486896379.db2.gz JRYSUXBSXOBMTE-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN COCCCN1CCOC[C@@H]1C1CC1 677737263 486896957 /nfs/dbraw/zinc/89/69/57/486896957.db2.gz RGTFRHYUQVAEGS-LLVKDONJSA-N 0 3 199.294 1.134 20 0 ADADHN C1CN(CCC2CC2)[C@H](C2CC2)CO1 677739183 486897041 /nfs/dbraw/zinc/89/70/41/486897041.db2.gz VXCRPCDUEMBIRN-LBPRGKRZSA-N 0 3 195.306 1.897 20 0 ADADHN C1CN(CCC2CC2)[C@@H](C2CC2)CO1 677739181 486897514 /nfs/dbraw/zinc/89/75/14/486897514.db2.gz VXCRPCDUEMBIRN-GFCCVEGCSA-N 0 3 195.306 1.897 20 0 ADADHN COCCCN1CCOC[C@H]1C1CC1 677737264 486897568 /nfs/dbraw/zinc/89/75/68/486897568.db2.gz RGTFRHYUQVAEGS-NSHDSACASA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H](c1ccccn1)N(C)CCCO 677800974 486898171 /nfs/dbraw/zinc/89/81/71/486898171.db2.gz DUQKHHJQIMYULU-SNVBAGLBSA-N 0 3 194.278 1.457 20 0 ADADHN CC[C@@H](c1ccncc1)N(C)CCO 677801983 486898185 /nfs/dbraw/zinc/89/81/85/486898185.db2.gz JKYRPAIRVDQNCK-NSHDSACASA-N 0 3 194.278 1.457 20 0 ADADHN C[C@@H](c1cccnc1)N(C)CCO 677801326 486898499 /nfs/dbraw/zinc/89/84/99/486898499.db2.gz XVOCTHHFVVGNPB-VIFPVBQESA-N 0 3 180.251 1.067 20 0 ADADHN CC[C@H](c1ccncc1)N(C)CCO 677801981 486898548 /nfs/dbraw/zinc/89/85/48/486898548.db2.gz JKYRPAIRVDQNCK-LLVKDONJSA-N 0 3 194.278 1.457 20 0 ADADHN C[C@@H](c1cccnc1)N(C)CCCO 677801244 486898577 /nfs/dbraw/zinc/89/85/77/486898577.db2.gz OVJHQPMXFXOXNC-JTQLQIEISA-N 0 3 194.278 1.457 20 0 ADADHN C[C@@H](c1ccccn1)N(C)CCCO 677800972 486898703 /nfs/dbraw/zinc/89/87/03/486898703.db2.gz DUQKHHJQIMYULU-JTQLQIEISA-N 0 3 194.278 1.457 20 0 ADADHN C[C@H](c1cccnc1)N(C)CCO 677801325 486898801 /nfs/dbraw/zinc/89/88/01/486898801.db2.gz XVOCTHHFVVGNPB-SECBINFHSA-N 0 3 180.251 1.067 20 0 ADADHN C[C@H](c1cccnc1)N(C)CCCO 677801245 486898925 /nfs/dbraw/zinc/89/89/25/486898925.db2.gz OVJHQPMXFXOXNC-SNVBAGLBSA-N 0 3 194.278 1.457 20 0 ADADHN c1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c[nH]1 87689679 486900225 /nfs/dbraw/zinc/90/02/25/486900225.db2.gz RLHGTNFOMMPBKX-MXWKQRLJSA-N 0 3 192.262 1.424 20 0 ADADHN c1coc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 87689695 486900386 /nfs/dbraw/zinc/90/03/86/486900386.db2.gz ZZXOAUACJCQCEV-IEBDPFPHSA-N 0 3 193.246 1.689 20 0 ADADHN NC1(C(=O)N[C@H]2CC=CCC2)CCC1 88051421 486908773 /nfs/dbraw/zinc/90/87/73/486908773.db2.gz APMZJSBTWFUJLN-VIFPVBQESA-N 0 3 194.278 1.093 20 0 ADADHN COC[C@H](C)NCc1ccc(C)cn1 87782036 486901464 /nfs/dbraw/zinc/90/14/64/486901464.db2.gz JBNOKVFBZPFDEW-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN CO[C@@H]1CCC[C@H]1NCCF 87775046 486901575 /nfs/dbraw/zinc/90/15/75/486901575.db2.gz LBVODHOKQLXNJM-HTQZYQBOSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@@H](N[C@@H]1CCOC1)c1ccoc1 87783238 486901648 /nfs/dbraw/zinc/90/16/48/486901648.db2.gz MRPDIEZRIPGTTO-PSASIEDQSA-N 0 3 181.235 1.719 20 0 ADADHN C[C@H](N[C@@H]1CCOC1)c1ccoc1 87783236 486901657 /nfs/dbraw/zinc/90/16/57/486901657.db2.gz MRPDIEZRIPGTTO-WCBMZHEXSA-N 0 3 181.235 1.719 20 0 ADADHN CCCN(C)Cc1ccnc(OC)c1 677818430 486901955 /nfs/dbraw/zinc/90/19/55/486901955.db2.gz NBPGUKHMMMKOJL-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CCC[C@H](O)CN(C)CCOCC 87978894 486904966 /nfs/dbraw/zinc/90/49/66/486904966.db2.gz YDYWLUULXNKTOP-JTQLQIEISA-N 0 3 189.299 1.116 20 0 ADADHN CCC[C@@H](O)CN(C)CCOCC 87978895 486905030 /nfs/dbraw/zinc/90/50/30/486905030.db2.gz YDYWLUULXNKTOP-SNVBAGLBSA-N 0 3 189.299 1.116 20 0 ADADHN CCN(CC(C)C)[C@H]1CCN(C)C1=O 677883039 486905112 /nfs/dbraw/zinc/90/51/12/486905112.db2.gz JECKYDDMSGQCRD-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CCCCN(CC)[C@@H]1CCN(C)C1=O 677878291 486905121 /nfs/dbraw/zinc/90/51/21/486905121.db2.gz MCTNWSZRMWKMEI-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN Cc1cccc([C@H](C)N(C)CCO)c1 677882302 486905137 /nfs/dbraw/zinc/90/51/37/486905137.db2.gz FWQHPEYZSHMESC-NSHDSACASA-N 0 3 193.290 1.980 20 0 ADADHN CCN(CC(C)C)[C@@H]1CCN(C)C1=O 677883040 486905302 /nfs/dbraw/zinc/90/53/02/486905302.db2.gz JECKYDDMSGQCRD-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN Cc1cccc([C@@H](C)N(C)CCO)c1 677882301 486905484 /nfs/dbraw/zinc/90/54/84/486905484.db2.gz FWQHPEYZSHMESC-LLVKDONJSA-N 0 3 193.290 1.980 20 0 ADADHN CCCCN(CC)[C@H]1CCN(C)C1=O 677878290 486905500 /nfs/dbraw/zinc/90/55/00/486905500.db2.gz MCTNWSZRMWKMEI-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCCN(CC)[C@H](C)C(=O)NC1CC1 677888511 486906435 /nfs/dbraw/zinc/90/64/35/486906435.db2.gz VCRUWZXDOFETDA-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN(CC1CC1)[C@H](C)C(=O)N(C)C 677890549 486906954 /nfs/dbraw/zinc/90/69/54/486906954.db2.gz XWVUEPZZHPBBEF-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN CCCN(CC)[C@@H](C)C(=O)NC1CC1 677888512 486907007 /nfs/dbraw/zinc/90/70/07/486907007.db2.gz VCRUWZXDOFETDA-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CCN(CC1CC1)[C@@H](C)C(=O)N(C)C 677890550 486907147 /nfs/dbraw/zinc/90/71/47/486907147.db2.gz XWVUEPZZHPBBEF-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN CCC[C@H](CC)NC(=O)C1(N)CCC1 88050980 486907818 /nfs/dbraw/zinc/90/78/18/486907818.db2.gz AUGPDSMFMJXJGZ-VIFPVBQESA-N 0 3 198.310 1.563 20 0 ADADHN CC[C@@H](C)[C@@H](C)NC(=O)C1(N)CCC1 88050835 486907837 /nfs/dbraw/zinc/90/78/37/486907837.db2.gz DUTJTTHRHVYOEU-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN CCC[C@H](C)NC(=O)C1(N)CCC1 88050020 486908311 /nfs/dbraw/zinc/90/83/11/486908311.db2.gz NCOSLLNMHUNUON-QMMMGPOBSA-N 0 3 184.283 1.173 20 0 ADADHN CCN(CC1CC1)C(=O)C1(N)CCC1 88051207 486907896 /nfs/dbraw/zinc/90/78/96/486907896.db2.gz QJUDSXBJDZTLBW-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CC(C)C[C@@H](C)NC(=O)C1(N)CCC1 88050278 486907914 /nfs/dbraw/zinc/90/79/14/486907914.db2.gz RCOHBKANGHWLJH-SECBINFHSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)CN(C)C(=O)C1(N)CCC1 88050258 486908101 /nfs/dbraw/zinc/90/81/01/486908101.db2.gz TZEFMBGPZQOHQN-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H](C1CC1)N(C)C(=O)C1(N)CCC1 88050378 486908136 /nfs/dbraw/zinc/90/81/36/486908136.db2.gz LUQSZVUTZWHFRE-MRVPVSSYSA-N 0 3 196.294 1.125 20 0 ADADHN CC[C@@H](C)[C@H](C)NC(=O)C1(N)CCC1 88050837 486908147 /nfs/dbraw/zinc/90/81/47/486908147.db2.gz DUTJTTHRHVYOEU-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN CCCN(CC)C(=O)C1(N)CCC1 88050235 486908164 /nfs/dbraw/zinc/90/81/64/486908164.db2.gz FNCFBWLJUKRKOZ-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN CCC[C@@H](CC)NC(=O)C1(N)CCC1 88050979 486908184 /nfs/dbraw/zinc/90/81/84/486908184.db2.gz AUGPDSMFMJXJGZ-SECBINFHSA-N 0 3 198.310 1.563 20 0 ADADHN CCCCN(CC)C(=O)C1(N)CCC1 88050054 486908207 /nfs/dbraw/zinc/90/82/07/486908207.db2.gz VXWYNGLCENTSRI-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN CCN(CC(C)C)C(=O)C1(N)CCC1 88050249 486908242 /nfs/dbraw/zinc/90/82/42/486908242.db2.gz UTEKMVQMMUNCKD-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C)[C@H](C)NC(=O)C1(N)CCC1 88050838 486908289 /nfs/dbraw/zinc/90/82/89/486908289.db2.gz DUTJTTHRHVYOEU-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN NC1(C(=O)N[C@@H]2CC=CCC2)CCC1 88051422 486908294 /nfs/dbraw/zinc/90/82/94/486908294.db2.gz APMZJSBTWFUJLN-SECBINFHSA-N 0 3 194.278 1.093 20 0 ADADHN CC[C@@H](C)CN(C)C(=O)C1(N)CCC1 88050257 486908300 /nfs/dbraw/zinc/90/83/00/486908300.db2.gz TZEFMBGPZQOHQN-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C)[C@@H](C)NC(=O)C1(N)CCC1 88050836 486908306 /nfs/dbraw/zinc/90/83/06/486908306.db2.gz DUTJTTHRHVYOEU-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN CCC(CC)NC(=O)C1(N)CCC1 88049973 486908373 /nfs/dbraw/zinc/90/83/73/486908373.db2.gz XWFSNYXCVBDRJY-UHFFFAOYSA-N 0 3 184.283 1.173 20 0 ADADHN CC(C)C[C@H](C)NC(=O)C1(N)CCC1 88050279 486908381 /nfs/dbraw/zinc/90/83/81/486908381.db2.gz RCOHBKANGHWLJH-VIFPVBQESA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)CCN(C)C(=O)C1(N)CCC1 88050583 486908408 /nfs/dbraw/zinc/90/84/08/486908408.db2.gz HIKHKSZCHBPSOO-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CCCN(CCC)C(=O)C1(N)CCC1 88050008 486908456 /nfs/dbraw/zinc/90/84/56/486908456.db2.gz PJVLVHAQWAJMCV-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN CCC[C@@H](C)NC(=O)C1(N)CCC1 88050019 486908466 /nfs/dbraw/zinc/90/84/66/486908466.db2.gz NCOSLLNMHUNUON-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN C[C@@H](C1CC1)N(C)C(=O)C1(N)CCC1 88050377 486908481 /nfs/dbraw/zinc/90/84/81/486908481.db2.gz LUQSZVUTZWHFRE-QMMMGPOBSA-N 0 3 196.294 1.125 20 0 ADADHN CC(C)CCCNC(=O)C1(N)CCC1 88050650 486908568 /nfs/dbraw/zinc/90/85/68/486908568.db2.gz PTKSOHKGIXCPRC-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CCCCCNC(=O)C1(N)CCC1 88050037 486908585 /nfs/dbraw/zinc/90/85/85/486908585.db2.gz FIWRDKTWTGBLGZ-UHFFFAOYSA-N 0 3 184.283 1.174 20 0 ADADHN CCCCN(C)C(=O)C1(N)CCC1 88050052 486908650 /nfs/dbraw/zinc/90/86/50/486908650.db2.gz ADEWVLGXUCMWOU-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN CC(C)CCNC(=O)C1(N)CCC1 88050044 486908678 /nfs/dbraw/zinc/90/86/78/486908678.db2.gz VKBXQUWOOHFQRT-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN Cc1ccc(CN[C@@H]2CCOC2)nc1 88135584 486909247 /nfs/dbraw/zinc/90/92/47/486909247.db2.gz CXUZCOGUGDTPBB-LLVKDONJSA-N 0 3 192.262 1.269 20 0 ADADHN C[C@@H]1CC[C@H](CNCc2ccco2)O1 88141266 486909325 /nfs/dbraw/zinc/90/93/25/486909325.db2.gz GTNNWEACCCEXGR-MWLCHTKSSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H]1CC[C@H](CNCc2ccco2)O1 88141267 486909431 /nfs/dbraw/zinc/90/94/31/486909431.db2.gz GTNNWEACCCEXGR-GXSJLCMTSA-N 0 3 195.262 1.937 20 0 ADADHN COc1ccncc1CNC(C)C 88115703 486909644 /nfs/dbraw/zinc/90/96/44/486909644.db2.gz IHVWSYHOZVFOGW-UHFFFAOYSA-N 0 3 180.251 1.588 20 0 ADADHN COc1ccncc1CNCC(C)C 88115689 486910069 /nfs/dbraw/zinc/91/00/69/486910069.db2.gz UOGUNMSOHSAMMW-UHFFFAOYSA-N 0 3 194.278 1.836 20 0 ADADHN C[C@@H]1CC[C@@H](CNCc2ccco2)O1 88141268 486910076 /nfs/dbraw/zinc/91/00/76/486910076.db2.gz GTNNWEACCCEXGR-KOLCDFICSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H]1CC[C@@H](CNCc2ccco2)O1 88141269 486910101 /nfs/dbraw/zinc/91/01/01/486910101.db2.gz GTNNWEACCCEXGR-ONGXEEELSA-N 0 3 195.262 1.937 20 0 ADADHN CCC[C@@H]1C(=O)NCCN1CC(C)C 677988439 486910252 /nfs/dbraw/zinc/91/02/52/486910252.db2.gz DBCGJABDAFCCLB-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](N[C@@H]1CCC[C@H]1O)c1ccco1 88169696 486910857 /nfs/dbraw/zinc/91/08/57/486910857.db2.gz CIMHUHYYVLEIAE-IVZWLZJFSA-N 0 3 195.262 1.844 20 0 ADADHN C[C@@H](N[C@@H]1CCC[C@H]1O)c1ccco1 88169720 486911110 /nfs/dbraw/zinc/91/11/10/486911110.db2.gz CIMHUHYYVLEIAE-OPRDCNLKSA-N 0 3 195.262 1.844 20 0 ADADHN COCCCN1CCOC2(CCC2)C1 677990506 486911425 /nfs/dbraw/zinc/91/14/25/486911425.db2.gz IUSBRGYCDDTAKB-UHFFFAOYSA-N 0 3 199.294 1.278 20 0 ADADHN CCC[C@H]1C(=O)NCCN1CC(C)C 677988438 486911544 /nfs/dbraw/zinc/91/15/44/486911544.db2.gz DBCGJABDAFCCLB-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN OCCCCN1CCOC2(CCC2)C1 677991280 486912306 /nfs/dbraw/zinc/91/23/06/486912306.db2.gz DMIXOTDZTTZVBI-UHFFFAOYSA-N 0 3 199.294 1.014 20 0 ADADHN CCN(CC)CCn1ccccc1=O 96547434 486913433 /nfs/dbraw/zinc/91/34/33/486913433.db2.gz YHIGEEMVUSEMHF-UHFFFAOYSA-N 0 3 194.278 1.190 20 0 ADADHN CN(CCC1CC1)Cc1ccnn1C 678049978 486915325 /nfs/dbraw/zinc/91/53/25/486915325.db2.gz RPUKAPLYGCRMBO-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN CC[C@@H](C)CN(C)Cc1ccnn1C 678049366 486915487 /nfs/dbraw/zinc/91/54/87/486915487.db2.gz IWPLBFZJDRMPAV-SNVBAGLBSA-N 0 3 195.310 1.898 20 0 ADADHN CC[C@H](C)CN(C)Cc1ccnn1C 678049365 486915959 /nfs/dbraw/zinc/91/59/59/486915959.db2.gz IWPLBFZJDRMPAV-JTQLQIEISA-N 0 3 195.310 1.898 20 0 ADADHN CN(CCCF)CCc1ccccn1 678082485 486916242 /nfs/dbraw/zinc/91/62/42/486916242.db2.gz QELVOKPGGFJLKN-UHFFFAOYSA-N 0 3 196.269 1.916 20 0 ADADHN CCN(Cc1ccnn1C)C1CCC1 678049924 486915915 /nfs/dbraw/zinc/91/59/15/486915915.db2.gz QOARAPRRYMGDJU-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN C[C@H]1C[C@@H](C)CN(Cc2cn[nH]c2)C1 678120175 486917434 /nfs/dbraw/zinc/91/74/34/486917434.db2.gz BKFKJNVPKILBHU-AOOOYVTPSA-N 0 3 193.294 1.888 20 0 ADADHN CCCCN(C)Cc1cn(C)nc1C 678121040 486917491 /nfs/dbraw/zinc/91/74/91/486917491.db2.gz XQMFPRCQXXASGG-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN C[C@H]1C[C@H](C)CN(Cc2cn[nH]c2)C1 678120178 486917882 /nfs/dbraw/zinc/91/78/82/486917882.db2.gz BKFKJNVPKILBHU-UWVGGRQHSA-N 0 3 193.294 1.888 20 0 ADADHN CCCN(CC)Cc1cn(C)nc1C 678117425 486918021 /nfs/dbraw/zinc/91/80/21/486918021.db2.gz BJFLOKBDTARNHK-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(Cc2cn[nH]c2)C1 678120177 486918062 /nfs/dbraw/zinc/91/80/62/486918062.db2.gz BKFKJNVPKILBHU-NXEZZACHSA-N 0 3 193.294 1.888 20 0 ADADHN CN(Cc1cn[nH]c1)C1CCCC1 678127796 486918566 /nfs/dbraw/zinc/91/85/66/486918566.db2.gz DDTGTUBBDROKDX-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN COC1CCN(Cc2cn[nH]c2)CC1 678128050 486918594 /nfs/dbraw/zinc/91/85/94/486918594.db2.gz KDSIGBCEGBWGTR-UHFFFAOYSA-N 0 3 195.266 1.021 20 0 ADADHN Cn1nccc1CN1C2CCC1CC2 678131630 486918854 /nfs/dbraw/zinc/91/88/54/486918854.db2.gz JLLWNEWYIZIJIP-UHFFFAOYSA-N 0 3 191.278 1.547 20 0 ADADHN Cc1n[nH]cc1CN1C2CCC1CC2 678131623 486918870 /nfs/dbraw/zinc/91/88/70/486918870.db2.gz JDOWCLOHIDWMPK-UHFFFAOYSA-N 0 3 191.278 1.845 20 0 ADADHN CCn1nccc1CN(C)CC(C)C 678132691 486919036 /nfs/dbraw/zinc/91/90/36/486919036.db2.gz KUROXXSCZMXOJN-UHFFFAOYSA-N 0 3 195.310 1.991 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1ccn(C)n1 678136314 486919886 /nfs/dbraw/zinc/91/98/86/486919886.db2.gz DXIGSWCFFHNTCJ-SNVBAGLBSA-N 0 3 195.310 1.896 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1ccn(C)n1 678136313 486919996 /nfs/dbraw/zinc/91/99/96/486919996.db2.gz DXIGSWCFFHNTCJ-JTQLQIEISA-N 0 3 195.310 1.896 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cnnn1C 678136318 486920014 /nfs/dbraw/zinc/92/00/14/486920014.db2.gz FAHMDALKYQKOES-SECBINFHSA-N 0 3 196.298 1.291 20 0 ADADHN CCN(CCOC)Cc1cccn1C 678134410 486920157 /nfs/dbraw/zinc/92/01/57/486920157.db2.gz NWQJGKLECUWIFU-UHFFFAOYSA-N 0 3 196.294 1.493 20 0 ADADHN CCN(CCOC)CC1=CCCOC1 678134197 486920321 /nfs/dbraw/zinc/92/03/21/486920321.db2.gz JPBZABACQGDHKN-UHFFFAOYSA-N 0 3 199.294 1.301 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1ccnn1C 678137774 486920403 /nfs/dbraw/zinc/92/04/03/486920403.db2.gz UWLAQAXQJFIAMI-JTQLQIEISA-N 0 3 195.310 1.896 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1cnnn1C 678136321 486920468 /nfs/dbraw/zinc/92/04/68/486920468.db2.gz FAHMDALKYQKOES-VIFPVBQESA-N 0 3 196.298 1.291 20 0 ADADHN CCN(Cc1cnn(CC)c1)C1CC1 678138137 486920489 /nfs/dbraw/zinc/92/04/89/486920489.db2.gz GWZHNRFOKQCLJM-UHFFFAOYSA-N 0 3 193.294 1.887 20 0 ADADHN CCN(CCOC)Cc1ccn(C)c1 678134196 486920524 /nfs/dbraw/zinc/92/05/24/486920524.db2.gz JLSAMNGNZCIXOE-UHFFFAOYSA-N 0 3 196.294 1.493 20 0 ADADHN CC(C)CCN(C)Cc1ccnn1C 678137883 486920550 /nfs/dbraw/zinc/92/05/50/486920550.db2.gz WPRDHBMKPQHXQS-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN Cc1nn(C)cc1CN(C)CC(C)C 678133248 486920626 /nfs/dbraw/zinc/92/06/26/486920626.db2.gz YRXORXFJDICHFR-UHFFFAOYSA-N 0 3 195.310 1.816 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1ccnn1C 678137775 486920650 /nfs/dbraw/zinc/92/06/50/486920650.db2.gz UWLAQAXQJFIAMI-SNVBAGLBSA-N 0 3 195.310 1.896 20 0 ADADHN CN(CC(N)=O)CC1CCCCCC1 678132987 486920674 /nfs/dbraw/zinc/92/06/74/486920674.db2.gz SLPIDXPDFXOOCI-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CCN(Cc1cn(C)nc1C)C1CC1 678138476 486921153 /nfs/dbraw/zinc/92/11/53/486921153.db2.gz VXMUVHHYJKCSRO-UHFFFAOYSA-N 0 3 193.294 1.713 20 0 ADADHN Cc1n[nH]cc1CN(C)[C@@H](C)C1CC1 678144100 486921217 /nfs/dbraw/zinc/92/12/17/486921217.db2.gz CFDAZAXEPJZGKI-VIFPVBQESA-N 0 3 193.294 1.948 20 0 ADADHN CCN(Cc1ccnn1C)CC(C)C 678141001 486921308 /nfs/dbraw/zinc/92/13/08/486921308.db2.gz YPLNXZOZHKJNAS-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CCN(Cc1ccn(C)n1)CC(C)C 678140616 486921485 /nfs/dbraw/zinc/92/14/85/486921485.db2.gz PSUUAFZZGXMBNT-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CCCN(Cc1ccnn1C)C1CC1 678138390 486921738 /nfs/dbraw/zinc/92/17/38/486921738.db2.gz SLEZODQZBUTWPI-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN Cc1n[nH]cc1CN(C)[C@H](C)C1CC1 678144099 486921833 /nfs/dbraw/zinc/92/18/33/486921833.db2.gz CFDAZAXEPJZGKI-SECBINFHSA-N 0 3 193.294 1.948 20 0 ADADHN CC[C@@H](C)N(C)Cc1cn(C)nc1C 678140605 486921846 /nfs/dbraw/zinc/92/18/46/486921846.db2.gz JWAYYIRZWZKBPL-SECBINFHSA-N 0 3 195.310 1.959 20 0 ADADHN CC[C@H](C)N(C)Cc1cn(C)nc1C 678140610 486921862 /nfs/dbraw/zinc/92/18/62/486921862.db2.gz JWAYYIRZWZKBPL-VIFPVBQESA-N 0 3 195.310 1.959 20 0 ADADHN CCN(Cc1cnnn1C)CC(C)C 678140124 486922173 /nfs/dbraw/zinc/92/21/73/486922173.db2.gz JIZBTPFCMUAMNB-UHFFFAOYSA-N 0 3 196.298 1.293 20 0 ADADHN N[C@H](CO)c1cccc(OC2CC2)c1 108373437 486922251 /nfs/dbraw/zinc/92/22/51/486922251.db2.gz XABNHNHVNLUTIS-LLVKDONJSA-N 0 3 193.246 1.220 20 0 ADADHN FCCOCCNCc1ccccc1 108233332 486922433 /nfs/dbraw/zinc/92/24/33/486922433.db2.gz MNCDNDSVLIDDIX-UHFFFAOYSA-N 0 3 197.253 1.762 20 0 ADADHN CC(C)N(Cc1ccnn1C)C1CC1 678152838 486923264 /nfs/dbraw/zinc/92/32/64/486923264.db2.gz WTWBWYIHLMOIIL-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@@H](C1CC1)N(C)Cc1ccnn1C 678145192 486923434 /nfs/dbraw/zinc/92/34/34/486923434.db2.gz YEMCUVZKXKMESX-VIFPVBQESA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H](C1CC1)N(C)Cc1ccnn1C 678145191 486923645 /nfs/dbraw/zinc/92/36/45/486923645.db2.gz YEMCUVZKXKMESX-SECBINFHSA-N 0 3 193.294 1.650 20 0 ADADHN CC(=O)N1CCCC12CCN(C)CC2 678177450 486924910 /nfs/dbraw/zinc/92/49/10/486924910.db2.gz WUPTUGFVSKCYSP-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CC(C)CCCN1CCN(C)CC1 113833292 486924967 /nfs/dbraw/zinc/92/49/67/486924967.db2.gz XRRQIPIVXRWGJJ-UHFFFAOYSA-N 0 3 184.327 1.670 20 0 ADADHN COCCN(C)Cc1ccccc1 114226007 486925000 /nfs/dbraw/zinc/92/50/00/486925000.db2.gz BMUFYMBAPXLSPK-UHFFFAOYSA-N 0 3 179.263 1.765 20 0 ADADHN COC[C@H](C)N(C)CC1=CCCOC1 678192676 486925309 /nfs/dbraw/zinc/92/53/09/486925309.db2.gz INPLTXDSGISDBK-JTQLQIEISA-N 0 3 199.294 1.300 20 0 ADADHN CCN(Cc1occc1C)C[C@@H](C)O 678214641 486925467 /nfs/dbraw/zinc/92/54/67/486925467.db2.gz AABMKGLYYZKLOX-SNVBAGLBSA-N 0 3 197.278 1.791 20 0 ADADHN CN(Cc1ccnn1C)CC(C)(C)C 678195533 486925477 /nfs/dbraw/zinc/92/54/77/486925477.db2.gz JTPRWVJAIHFVEV-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CCN(Cc1occc1C)C[C@H](C)O 678214636 486925842 /nfs/dbraw/zinc/92/58/42/486925842.db2.gz AABMKGLYYZKLOX-JTQLQIEISA-N 0 3 197.278 1.791 20 0 ADADHN COC[C@@H](C)N(C)CC1=CCCOC1 678192677 486925868 /nfs/dbraw/zinc/92/58/68/486925868.db2.gz INPLTXDSGISDBK-SNVBAGLBSA-N 0 3 199.294 1.300 20 0 ADADHN COCCCN(C)Cc1c[nH]nc1C 678215739 486926210 /nfs/dbraw/zinc/92/62/10/486926210.db2.gz GKCICLXEYGKVLJ-UHFFFAOYSA-N 0 3 197.282 1.186 20 0 ADADHN CC(C)CN1CCN(CC(C)C)CC1 116692952 486926900 /nfs/dbraw/zinc/92/69/00/486926900.db2.gz UPDQRASVKIEAAM-UHFFFAOYSA-N 0 3 198.354 1.916 20 0 ADADHN OC/C=C\CNCc1ccccc1 117296818 486927368 /nfs/dbraw/zinc/92/73/68/486927368.db2.gz WACKDSXYGOYGIG-PLNGDYQASA-N 0 3 177.247 1.325 20 0 ADADHN CCN(Cc1c[nH]nc1C)CC1CC1 678263508 486927879 /nfs/dbraw/zinc/92/78/79/486927879.db2.gz JOHVHOKGSUNCFV-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN CCC(C)(C)N(C)Cc1cnnn1C 678259394 486928036 /nfs/dbraw/zinc/92/80/36/486928036.db2.gz OEJONWHAOKSCAG-UHFFFAOYSA-N 0 3 196.298 1.436 20 0 ADADHN COCCN(C)Cc1cccc(O)c1 118680884 486928252 /nfs/dbraw/zinc/92/82/52/486928252.db2.gz OTPCRCCEEFJFFH-UHFFFAOYSA-N 0 3 195.262 1.470 20 0 ADADHN COC[C@@H]1CCN(Cc2ccco2)C1 678260856 486928286 /nfs/dbraw/zinc/92/82/86/486928286.db2.gz OZQYQYYATWHAOS-SNVBAGLBSA-N 0 3 195.262 1.748 20 0 ADADHN CN(Cc1ccn(C)c1)CC(C)(C)O 678268412 486928366 /nfs/dbraw/zinc/92/83/66/486928366.db2.gz ZOMAOCIGGSUAEB-UHFFFAOYSA-N 0 3 196.294 1.228 20 0 ADADHN COC[C@H]1CCN(Cc2ccco2)C1 678260854 486928443 /nfs/dbraw/zinc/92/84/43/486928443.db2.gz OZQYQYYATWHAOS-JTQLQIEISA-N 0 3 195.262 1.748 20 0 ADADHN CO[C@@H](C)CNCc1ccc(F)cc1 118690973 486928588 /nfs/dbraw/zinc/92/85/88/486928588.db2.gz DZFMNAHUQBJOJT-VIFPVBQESA-N 0 3 197.253 1.950 20 0 ADADHN CO[C@H](C)CNCc1ccc(F)cc1 118690975 486928605 /nfs/dbraw/zinc/92/86/05/486928605.db2.gz DZFMNAHUQBJOJT-SECBINFHSA-N 0 3 197.253 1.950 20 0 ADADHN CCN(Cc1ccnn1C)CC1CC1 678263976 486928643 /nfs/dbraw/zinc/92/86/43/486928643.db2.gz QZKWMNQUPCGKSD-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN OCC1(CNCc2ccco2)CC1 118906717 486929066 /nfs/dbraw/zinc/92/90/66/486929066.db2.gz KHQUVGZIWZQWKN-UHFFFAOYSA-N 0 3 181.235 1.142 20 0 ADADHN Cc1ccc(CNCC2(CO)CC2)o1 118907085 486929251 /nfs/dbraw/zinc/92/92/51/486929251.db2.gz QCJIBXGPPSOIIA-UHFFFAOYSA-N 0 3 195.262 1.450 20 0 ADADHN OCC1(CNCc2ccsc2)CC1 118906922 486929288 /nfs/dbraw/zinc/92/92/88/486929288.db2.gz VTWGZIOUZKWDOZ-UHFFFAOYSA-N 0 3 197.303 1.610 20 0 ADADHN C[C@H]1CCN(Cc2cn[nH]c2)C[C@H]1C 678270389 486929479 /nfs/dbraw/zinc/92/94/79/486929479.db2.gz NQHYJJJIUAEBSY-VHSXEESVSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@H](O)CCN(C)Cc1cccn1C 678270328 486929531 /nfs/dbraw/zinc/92/95/31/486929531.db2.gz JKWYMTMILYWCEK-JTQLQIEISA-N 0 3 196.294 1.228 20 0 ADADHN C[C@@H]1CN(Cc2cn[nH]c2)CC[C@H]1C 678270387 486929620 /nfs/dbraw/zinc/92/96/20/486929620.db2.gz NQHYJJJIUAEBSY-NXEZZACHSA-N 0 3 193.294 1.888 20 0 ADADHN c1n[nH]cc1CN1CCC2(CCC2)C1 678268463 486929677 /nfs/dbraw/zinc/92/96/77/486929677.db2.gz CIQULIZAIHCKSK-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN C[C@@H]1CCN(Cc2cn[nH]c2)C[C@@H]1C 678270390 486929877 /nfs/dbraw/zinc/92/98/77/486929877.db2.gz NQHYJJJIUAEBSY-ZJUUUORDSA-N 0 3 193.294 1.888 20 0 ADADHN CCn1cc(CN(C)C2CCC2)cn1 678268957 486929850 /nfs/dbraw/zinc/92/98/50/486929850.db2.gz CVQVPEKSSQMLPF-UHFFFAOYSA-N 0 3 193.294 1.887 20 0 ADADHN C[C@@H](O)CCN(C)Cc1cccn1C 678270329 486929966 /nfs/dbraw/zinc/92/99/66/486929966.db2.gz JKWYMTMILYWCEK-SNVBAGLBSA-N 0 3 196.294 1.228 20 0 ADADHN C[C@H]1CCN(Cc2cn[nH]c2)C[C@@H]1C 678270388 486930118 /nfs/dbraw/zinc/93/01/18/486930118.db2.gz NQHYJJJIUAEBSY-UWVGGRQHSA-N 0 3 193.294 1.888 20 0 ADADHN CCN(CCCO)Cc1ccn(C)c1 678279154 486930515 /nfs/dbraw/zinc/93/05/15/486930515.db2.gz IKRDNNQUIJNABD-UHFFFAOYSA-N 0 3 196.294 1.229 20 0 ADADHN CC1(C)[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 678279125 486930628 /nfs/dbraw/zinc/93/06/28/486930628.db2.gz IHWREKJLZJKIMH-AOOOYVTPSA-N 0 3 191.278 1.498 20 0 ADADHN CCN(CCCO)Cc1cccn1C 678279483 486930741 /nfs/dbraw/zinc/93/07/41/486930741.db2.gz RCHPADJBNAKTEM-UHFFFAOYSA-N 0 3 196.294 1.229 20 0 ADADHN CC[C@@H](NCc1ncnn1C)C1CC1 122103634 486930775 /nfs/dbraw/zinc/93/07/75/486930775.db2.gz MCYSLBCJLRCSBW-SECBINFHSA-N 0 3 194.282 1.093 20 0 ADADHN c1n[nH]cc1CN1CC[C@H](C2CC2)C1 678285180 486930819 /nfs/dbraw/zinc/93/08/19/486930819.db2.gz OLTKDMPHTTYZQC-NSHDSACASA-N 0 3 191.278 1.642 20 0 ADADHN CC[C@H](NCc1ncnn1C)C1CC1 122103399 486930920 /nfs/dbraw/zinc/93/09/20/486930920.db2.gz MCYSLBCJLRCSBW-VIFPVBQESA-N 0 3 194.282 1.093 20 0 ADADHN c1n[nH]cc1CN1CC[C@@H](C2CC2)C1 678285179 486930979 /nfs/dbraw/zinc/93/09/79/486930979.db2.gz OLTKDMPHTTYZQC-LLVKDONJSA-N 0 3 191.278 1.642 20 0 ADADHN c1[nH]nc2c1CCN(C1CCCC1)C2 678276055 486931090 /nfs/dbraw/zinc/93/10/90/486931090.db2.gz TZDJMESMIAPITL-UHFFFAOYSA-N 0 3 191.278 1.710 20 0 ADADHN CCN(CCCO)Cc1occc1C 678278875 486931285 /nfs/dbraw/zinc/93/12/85/486931285.db2.gz CJTDCMQTUOTSKX-UHFFFAOYSA-N 0 3 197.278 1.792 20 0 ADADHN COC[C@@H]1CCCN1Cc1cn[nH]c1 678332988 486931890 /nfs/dbraw/zinc/93/18/90/486931890.db2.gz COUYZCHXYRAYJE-JTQLQIEISA-N 0 3 195.266 1.021 20 0 ADADHN COC[C@H]1CCCN1Cc1cn[nH]c1 678332989 486932060 /nfs/dbraw/zinc/93/20/60/486932060.db2.gz COUYZCHXYRAYJE-SNVBAGLBSA-N 0 3 195.266 1.021 20 0 ADADHN Cc1ccc(CN[C@@H](C)CCO)nc1 122407886 486932224 /nfs/dbraw/zinc/93/22/24/486932224.db2.gz MGUOAZLKUMZESG-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN CCc1ccc(CN[C@@H](C)CCO)o1 122404719 486932446 /nfs/dbraw/zinc/93/24/46/486932446.db2.gz GTYLMBYUNALUKB-VIFPVBQESA-N 0 3 197.278 1.703 20 0 ADADHN Cc1ccc(CN[C@H](C)CCO)nc1 122408111 486932629 /nfs/dbraw/zinc/93/26/29/486932629.db2.gz MGUOAZLKUMZESG-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN CCc1ccc(CN[C@H](C)CCO)o1 122404950 486932842 /nfs/dbraw/zinc/93/28/42/486932842.db2.gz GTYLMBYUNALUKB-SECBINFHSA-N 0 3 197.278 1.703 20 0 ADADHN CCC(CC)CN(C)[C@H]1CCNC1=O 678342490 486933125 /nfs/dbraw/zinc/93/31/25/486933125.db2.gz UJGDYUDZTDFXPN-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCC(CC)CN(C)[C@@H]1CCNC1=O 678342491 486933312 /nfs/dbraw/zinc/93/33/12/486933312.db2.gz UJGDYUDZTDFXPN-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN COC(C)(C)CN(C)Cc1cn[nH]c1 678336432 486933364 /nfs/dbraw/zinc/93/33/64/486933364.db2.gz DPWIYMQHTYKLOJ-UHFFFAOYSA-N 0 3 197.282 1.267 20 0 ADADHN Cc1n[nH]cc1CN(C)CCC1CC1 678338483 486933806 /nfs/dbraw/zinc/93/38/06/486933806.db2.gz BHAGWDQHTSCYPV-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN CCN(C[C@H]1CCCO1)[C@H]1CCOC1 678349665 486934194 /nfs/dbraw/zinc/93/41/94/486934194.db2.gz MLHDLVDZINFLFV-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CCN(C[C@H]1CCCO1)[C@@H]1CCOC1 678349661 486934205 /nfs/dbraw/zinc/93/42/05/486934205.db2.gz MLHDLVDZINFLFV-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN CCN(C[C@@H]1CCCO1)[C@H]1CCOC1 678349664 486934350 /nfs/dbraw/zinc/93/43/50/486934350.db2.gz MLHDLVDZINFLFV-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN CCOCCN(CC)[C@@H]1CCOC1 678349828 486934417 /nfs/dbraw/zinc/93/44/17/486934417.db2.gz NWLQMUJPNZZLOT-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CCN(C[C@@H]1CCCO1)[C@@H]1CCOC1 678349663 486934460 /nfs/dbraw/zinc/93/44/60/486934460.db2.gz MLHDLVDZINFLFV-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN CCOCCN(CC)[C@H]1CCOC1 678349827 486935013 /nfs/dbraw/zinc/93/50/13/486935013.db2.gz NWLQMUJPNZZLOT-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN Cn1ccnc1-c1ncc(CN)s1 122660543 486935660 /nfs/dbraw/zinc/93/56/60/486935660.db2.gz GYKKHQZNLRCGHY-UHFFFAOYSA-N 0 3 194.263 1.002 20 0 ADADHN CCc1nn(C)cc1CN1CCCC1 678359210 486935680 /nfs/dbraw/zinc/93/56/80/486935680.db2.gz UTWGCEOHJCDBQH-UHFFFAOYSA-N 0 3 193.294 1.578 20 0 ADADHN C[C@@H]1CCC[C@@H](CN(C)CC(N)=O)C1 678460175 486936231 /nfs/dbraw/zinc/93/62/31/486936231.db2.gz FNVZBHSCJBUWCK-NXEZZACHSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@H]1CCC[C@@H](CN(C)CC(N)=O)C1 678460177 486936317 /nfs/dbraw/zinc/93/63/17/486936317.db2.gz FNVZBHSCJBUWCK-VHSXEESVSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@@H]1CCC[C@H](CN(C)CC(N)=O)C1 678460178 486936728 /nfs/dbraw/zinc/93/67/28/486936728.db2.gz FNVZBHSCJBUWCK-ZJUUUORDSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@H]1CCC[C@H](CN(C)CC(N)=O)C1 678460176 486936944 /nfs/dbraw/zinc/93/69/44/486936944.db2.gz FNVZBHSCJBUWCK-UWVGGRQHSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@@H](CCO)N[C@@H](C)c1ccoc1 122934111 486937326 /nfs/dbraw/zinc/93/73/26/486937326.db2.gz VMTUCPCLAICDGI-IUCAKERBSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](CCO)NCc1cncs1 122967170 486937347 /nfs/dbraw/zinc/93/73/47/486937347.db2.gz MAOCKZXOVAJRIT-ZETCQYMHSA-N 0 3 186.280 1.004 20 0 ADADHN C[C@H](N[C@H](C)CCO)c1ccco1 122870703 486937379 /nfs/dbraw/zinc/93/73/79/486937379.db2.gz QLLNJGYILCQJPI-BDAKNGLRSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](CCO)NCc1cncs1 122967402 486937565 /nfs/dbraw/zinc/93/75/65/486937565.db2.gz MAOCKZXOVAJRIT-SSDOTTSWSA-N 0 3 186.280 1.004 20 0 ADADHN C[C@@H](CCO)N[C@H](C)c1ccco1 122870944 486937589 /nfs/dbraw/zinc/93/75/89/486937589.db2.gz QLLNJGYILCQJPI-DTWKUNHWSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](CCO)N[C@H](C)c1ccoc1 122934723 486937624 /nfs/dbraw/zinc/93/76/24/486937624.db2.gz VMTUCPCLAICDGI-RKDXNWHRSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](CCO)N[C@@H](C)c1ccco1 122870513 486937925 /nfs/dbraw/zinc/93/79/25/486937925.db2.gz QLLNJGYILCQJPI-IUCAKERBSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](CCO)N[C@H](C)c1ccco1 122871152 486938079 /nfs/dbraw/zinc/93/80/79/486938079.db2.gz QLLNJGYILCQJPI-RKDXNWHRSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](N[C@H](C)CCO)c1ccoc1 122934317 486938137 /nfs/dbraw/zinc/93/81/37/486938137.db2.gz VMTUCPCLAICDGI-BDAKNGLRSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](CCO)N[C@H](C)c1ccoc1 122934525 486938147 /nfs/dbraw/zinc/93/81/47/486938147.db2.gz VMTUCPCLAICDGI-DTWKUNHWSA-N 0 3 183.251 1.701 20 0 ADADHN CCC1(CC)CN(C[C@H](C)O)C1 123261708 486938656 /nfs/dbraw/zinc/93/86/56/486938656.db2.gz FKUXPICZGBJSGU-VIFPVBQESA-N 0 3 171.284 1.489 20 0 ADADHN CCC1(CC)CN(C[C@@H](C)O)C1 123261466 486938915 /nfs/dbraw/zinc/93/89/15/486938915.db2.gz FKUXPICZGBJSGU-SECBINFHSA-N 0 3 171.284 1.489 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1cncs1 123312721 486938970 /nfs/dbraw/zinc/93/89/70/486938970.db2.gz ZQIKFOGHTFJFGQ-BQBZGAKWSA-N 0 3 186.280 1.175 20 0 ADADHN CCOCCN(C)[C@@H]1CCCOC1 678536947 486939146 /nfs/dbraw/zinc/93/91/46/486939146.db2.gz OAUMZKFQDJRWTA-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CCNC(=O)CN1[C@@H](C)CC[C@H]1CC 678535340 486939178 /nfs/dbraw/zinc/93/91/78/486939178.db2.gz QGFIHCJWVGZAKK-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCn1cncc1CNC1CC(C)C1 123318013 486939507 /nfs/dbraw/zinc/93/95/07/486939507.db2.gz XVZKTXUSQYTHME-UHFFFAOYSA-N 0 3 193.294 1.791 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1cncs1 123312946 486939540 /nfs/dbraw/zinc/93/95/40/486939540.db2.gz ZQIKFOGHTFJFGQ-NKWVEPMBSA-N 0 3 186.280 1.175 20 0 ADADHN CCNC(=O)CN1[C@@H](CC)CC[C@H]1C 678535341 486939667 /nfs/dbraw/zinc/93/96/67/486939667.db2.gz QGFIHCJWVGZAKK-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CCNC(=O)CN1[C@@H](C)CC[C@@H]1CC 678535339 486939754 /nfs/dbraw/zinc/93/97/54/486939754.db2.gz QGFIHCJWVGZAKK-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1cncc(F)c1 123343696 486939794 /nfs/dbraw/zinc/93/97/94/486939794.db2.gz UUVQAVZZIXYCJA-JGVFFNPUSA-N 0 3 198.241 1.252 20 0 ADADHN CCOCCN(C)[C@H]1CCCOC1 678536946 486939805 /nfs/dbraw/zinc/93/98/05/486939805.db2.gz OAUMZKFQDJRWTA-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1cncc(F)c1 123343504 486939829 /nfs/dbraw/zinc/93/98/29/486939829.db2.gz UUVQAVZZIXYCJA-YUMQZZPRSA-N 0 3 198.241 1.252 20 0 ADADHN CCNC(=O)CN1[C@H](C)CC[C@H]1CC 678535338 486939853 /nfs/dbraw/zinc/93/98/53/486939853.db2.gz QGFIHCJWVGZAKK-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CCc1ccc([C@@H](C)N[C@@H](C)CO)o1 123363646 486939971 /nfs/dbraw/zinc/93/99/71/486939971.db2.gz HLSSEOPFORWEPU-DTWKUNHWSA-N 0 3 197.278 1.873 20 0 ADADHN CCc1ccc([C@H](C)N[C@@H](C)CO)o1 123363867 486940011 /nfs/dbraw/zinc/94/00/11/486940011.db2.gz HLSSEOPFORWEPU-IUCAKERBSA-N 0 3 197.278 1.873 20 0 ADADHN CC1CC(N[C@@H](C)C(=O)NC(C)C)C1 123415646 486940188 /nfs/dbraw/zinc/94/01/88/486940188.db2.gz ITDGARJOVIUWJL-KYHHOPLUSA-N 0 3 198.310 1.288 20 0 ADADHN CC1CC(N[C@H](C)C(=O)NC(C)C)C1 123415883 486940604 /nfs/dbraw/zinc/94/06/04/486940604.db2.gz ITDGARJOVIUWJL-HWOCKDDLSA-N 0 3 198.310 1.288 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1c[nH]nc1C 134540047 486941681 /nfs/dbraw/zinc/94/16/81/486941681.db2.gz XZLKVIRYUVQHKZ-YUMQZZPRSA-N 0 3 197.282 1.404 20 0 ADADHN COC[C@H](C)N[C@H](C)c1c[nH]nc1C 134540024 486941778 /nfs/dbraw/zinc/94/17/78/486941778.db2.gz XZLKVIRYUVQHKZ-JGVFFNPUSA-N 0 3 197.282 1.404 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCOC1 134595481 486942341 /nfs/dbraw/zinc/94/23/41/486942341.db2.gz AKYCBQDUAXCSTI-VXNVDRBHSA-N 0 3 195.266 1.158 20 0 ADADHN COC[C@H](C)NCc1cnccc1C 135429531 486942549 /nfs/dbraw/zinc/94/25/49/486942549.db2.gz OBFJMLKUGOLQAW-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCOC1 134595502 486942694 /nfs/dbraw/zinc/94/26/94/486942694.db2.gz AKYCBQDUAXCSTI-IONNQARKSA-N 0 3 195.266 1.158 20 0 ADADHN CNCC(=O)Nc1c(C)cccc1F 135239678 486943058 /nfs/dbraw/zinc/94/30/58/486943058.db2.gz CFCKAZRZCKZXBU-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN CC(C)N(CC(=O)NC1CC1)C(C)C 678714373 486943422 /nfs/dbraw/zinc/94/34/22/486943422.db2.gz MPBHURNJDGZOKZ-UHFFFAOYSA-N 0 3 198.310 1.384 20 0 ADADHN CCCCCN1CCc2n[nH]cc2C1 678630553 486943751 /nfs/dbraw/zinc/94/37/51/486943751.db2.gz NJFSVOSTIZDPTF-UHFFFAOYSA-N 0 3 193.294 1.958 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1CC 136132708 486945662 /nfs/dbraw/zinc/94/56/62/486945662.db2.gz RCUPBFKSYSFGTK-AEJSXWLSSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@H]1CC[C@@H](C)N1C(=O)[C@H](N)CC 136127139 486945672 /nfs/dbraw/zinc/94/56/72/486945672.db2.gz RCUPBFKSYSFGTK-KXUCPTDWSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@H]1CC[C@@H](C)N1C(=O)[C@@H](C)N 136132669 486945699 /nfs/dbraw/zinc/94/56/99/486945699.db2.gz AERMILPQYKKJGP-HLTSFMKQSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@H](N)C(=O)N1[C@H](C)CC[C@H]1CC 136132774 486945750 /nfs/dbraw/zinc/94/57/50/486945750.db2.gz RCUPBFKSYSFGTK-BBBLOLIVSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@H](C)CC[C@H]1CC 136127105 486945810 /nfs/dbraw/zinc/94/58/10/486945810.db2.gz RCUPBFKSYSFGTK-OPRDCNLKSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](CC)CC[C@H]1C 136132808 486945888 /nfs/dbraw/zinc/94/58/88/486945888.db2.gz RCUPBFKSYSFGTK-UTLUCORTSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@H]1CC[C@H](C)N1C(=O)[C@@H](C)N 136132595 486945929 /nfs/dbraw/zinc/94/59/29/486945929.db2.gz AERMILPQYKKJGP-YIZRAAEISA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](C)CC[C@@H]1CC 136132739 486945958 /nfs/dbraw/zinc/94/59/58/486945958.db2.gz RCUPBFKSYSFGTK-GUBZILKMSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@@H](C)CC[C@H]1CC 136127033 486945981 /nfs/dbraw/zinc/94/59/81/486945981.db2.gz RCUPBFKSYSFGTK-IVZWLZJFSA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@H]1CC[C@H](C)N1C(=O)[C@H](N)CC 136127071 486946026 /nfs/dbraw/zinc/94/60/26/486946026.db2.gz RCUPBFKSYSFGTK-LPEHRKFASA-N 0 3 198.310 1.513 20 0 ADADHN CCCN(C)Cc1cn(C)nc1CC 678812665 486946565 /nfs/dbraw/zinc/94/65/65/486946565.db2.gz SYUGWJIDQSBUHT-UHFFFAOYSA-N 0 3 195.310 1.824 20 0 ADADHN CCCCN1CCN(C(C)C)CC1 138851573 486946940 /nfs/dbraw/zinc/94/69/40/486946940.db2.gz ZFXVZOYIQORFGP-UHFFFAOYSA-N 0 3 184.327 1.813 20 0 ADADHN CCc1nn(C)cc1CN(CC)CC 678833316 486947666 /nfs/dbraw/zinc/94/76/66/486947666.db2.gz ZVFOUPGWJCSPBU-UHFFFAOYSA-N 0 3 195.310 1.824 20 0 ADADHN N=C(N)Nc1nc2c(s1)CCCC2 140855531 486947740 /nfs/dbraw/zinc/94/77/40/486947740.db2.gz CKBIOORETGHJLB-UHFFFAOYSA-N 0 3 196.279 1.327 20 0 ADADHN CCc1nn(C)cc1CN(C)C(C)C 678832025 486948132 /nfs/dbraw/zinc/94/81/32/486948132.db2.gz RCGSCYHWJKHZCA-UHFFFAOYSA-N 0 3 195.310 1.823 20 0 ADADHN c1cnc(CCN2CCCC2)cn1 141306628 486948136 /nfs/dbraw/zinc/94/81/36/486948136.db2.gz RWYKTTYVKNVVDZ-UHFFFAOYSA-N 0 3 177.251 1.115 20 0 ADADHN CCN(CC)Cc1ccc(OC)cn1 678881314 486949290 /nfs/dbraw/zinc/94/92/90/486949290.db2.gz FDBCFWQGALIQKK-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CCCCN1CCO[C@@H](CC)C1 143554683 486949646 /nfs/dbraw/zinc/94/96/46/486949646.db2.gz BOGOBIMPSUGEER-JTQLQIEISA-N 0 3 171.284 1.897 20 0 ADADHN CCCCN1CCO[C@H](CC)C1 143554916 486949834 /nfs/dbraw/zinc/94/98/34/486949834.db2.gz BOGOBIMPSUGEER-SNVBAGLBSA-N 0 3 171.284 1.897 20 0 ADADHN C[C@H](CC1CCCCC1)NC(=O)CN 145832792 486951074 /nfs/dbraw/zinc/95/10/74/486951074.db2.gz FSVXGVSXWGUWPK-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN CCCN(C)Cc1ccccn1 147370378 486954762 /nfs/dbraw/zinc/95/47/62/486954762.db2.gz BLCMPKUIKIFFBW-UHFFFAOYSA-N 0 3 164.252 1.923 20 0 ADADHN CCCCCN1CCC[C@@H]1C(N)=O 147791758 486956927 /nfs/dbraw/zinc/95/69/27/486956927.db2.gz BKIBWFLIMBWURJ-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN CC(C)CC(=O)NCCN1CCCC1 147833731 486957069 /nfs/dbraw/zinc/95/70/69/486957069.db2.gz GWPOQCCNRMZHRD-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCCCN(C)[C@H]1CCCN(C)C1=O 679311487 486957088 /nfs/dbraw/zinc/95/70/88/486957088.db2.gz JNYFEKSOBAQDNQ-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)CN(C)[C@@H]1CCCN(C)C1=O 679314209 486957155 /nfs/dbraw/zinc/95/71/55/486957155.db2.gz YWDRASGQZNYWCC-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CCCCN(C)[C@@H]1CCCN(C)C1=O 679311488 486957198 /nfs/dbraw/zinc/95/71/98/486957198.db2.gz JNYFEKSOBAQDNQ-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)CC[C@H](N)C(=O)NC(C)C 147756424 486957305 /nfs/dbraw/zinc/95/73/05/486957305.db2.gz AOCSVQAIGWLCQK-VIFPVBQESA-N 0 3 186.299 1.275 20 0 ADADHN CC(C)CC[C@@H](N)C(=O)NC(C)C 147756246 486957315 /nfs/dbraw/zinc/95/73/15/486957315.db2.gz AOCSVQAIGWLCQK-SECBINFHSA-N 0 3 186.299 1.275 20 0 ADADHN CC(C)CN(C)[C@H]1CCCN(C)C1=O 679314208 486957560 /nfs/dbraw/zinc/95/75/60/486957560.db2.gz YWDRASGQZNYWCC-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CCCN(CC)[C@H]1CCCN(C)C1=O 679314015 486957584 /nfs/dbraw/zinc/95/75/84/486957584.db2.gz KREYCUFTDBYCAV-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)N(CC(=O)N1CCC1)C(C)C 679320829 486957594 /nfs/dbraw/zinc/95/75/94/486957594.db2.gz QLEFUXLNCXHRNQ-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CCCN(CC)[C@@H]1CCCN(C)C1=O 679314016 486957658 /nfs/dbraw/zinc/95/76/58/486957658.db2.gz KREYCUFTDBYCAV-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN C1=CCN(C[C@H]2CCCCO2)CC1 679323518 486958126 /nfs/dbraw/zinc/95/81/26/486958126.db2.gz ZJQJQQXDIIIPHD-LLVKDONJSA-N 0 3 181.279 1.817 20 0 ADADHN Cn1cc(CCN2CC=CCC2)cn1 679323949 486958172 /nfs/dbraw/zinc/95/81/72/486958172.db2.gz WHJCHRLJVVNEPJ-UHFFFAOYSA-N 0 3 191.278 1.225 20 0 ADADHN CCN(C)C(=O)CCN1CC=CCC1 679322696 486958546 /nfs/dbraw/zinc/95/85/46/486958546.db2.gz MCJOCJJCWAMCPU-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN CC(C)OCCN1CCSCC1 148148739 486958554 /nfs/dbraw/zinc/95/85/54/486958554.db2.gz MFLZTMCYXAKQBF-UHFFFAOYSA-N 0 3 189.324 1.460 20 0 ADADHN C1=CCN(CCn2cccn2)CC1 679322289 486958687 /nfs/dbraw/zinc/95/86/87/486958687.db2.gz ZJLCSNQKSPLEFX-UHFFFAOYSA-N 0 3 177.251 1.145 20 0 ADADHN CC(C)OC[C@H](O)CN1CC=CCC1 679322065 486958727 /nfs/dbraw/zinc/95/87/27/486958727.db2.gz UFPMGAUDZPUDKC-LLVKDONJSA-N 0 3 199.294 1.034 20 0 ADADHN C1=CCN(CCn2ccnc2)CC1 679323491 486958742 /nfs/dbraw/zinc/95/87/42/486958742.db2.gz YCPALPCMMBUKAP-UHFFFAOYSA-N 0 3 177.251 1.145 20 0 ADADHN C1=CCN(CCc2ccncc2)CC1 679322286 486958820 /nfs/dbraw/zinc/95/88/20/486958820.db2.gz ZHDRWDUQFSEHFD-UHFFFAOYSA-N 0 3 188.274 1.886 20 0 ADADHN CC(C)OC[C@@H](O)CN1CC=CCC1 679322066 486958942 /nfs/dbraw/zinc/95/89/42/486958942.db2.gz UFPMGAUDZPUDKC-NSHDSACASA-N 0 3 199.294 1.034 20 0 ADADHN C1=CCN(C[C@@H]2CCCCO2)CC1 679323519 486959098 /nfs/dbraw/zinc/95/90/98/486959098.db2.gz ZJQJQQXDIIIPHD-NSHDSACASA-N 0 3 181.279 1.817 20 0 ADADHN CC(C)OCCN1CC=CCC1 679322024 486959189 /nfs/dbraw/zinc/95/91/89/486959189.db2.gz RTLAZKLYIGNNBK-UHFFFAOYSA-N 0 3 169.268 1.673 20 0 ADADHN C1=CCN(CCN2CC=CCC2)CC1 679321904 486959241 /nfs/dbraw/zinc/95/92/41/486959241.db2.gz NOFAKPKGMSXCBD-UHFFFAOYSA-N 0 3 192.306 1.510 20 0 ADADHN Cc1c[nH]c(CNC(C)(C)C)n1 148351059 486959562 /nfs/dbraw/zinc/95/95/62/486959562.db2.gz CJTZZKRWIHGIOO-UHFFFAOYSA-N 0 3 167.256 1.606 20 0 ADADHN CC[C@H](C(=O)N1CC=CCC1)N(C)C 679324894 486959844 /nfs/dbraw/zinc/95/98/44/486959844.db2.gz KWJMYCABSQRELT-SNVBAGLBSA-N 0 3 196.294 1.115 20 0 ADADHN CC(C)N(C)CC(=O)N1CC=CCC1 679326687 486959863 /nfs/dbraw/zinc/95/98/63/486959863.db2.gz QDMRBTLRPBKBBN-UHFFFAOYSA-N 0 3 196.294 1.115 20 0 ADADHN CCCN(C)CC(=O)N1CC=CCC1 679325986 486960215 /nfs/dbraw/zinc/96/02/15/486960215.db2.gz SMFNVKMFBMMSGP-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN CC[C@@H](C(=O)N1CC=CCC1)N(C)C 679324893 486960454 /nfs/dbraw/zinc/96/04/54/486960454.db2.gz KWJMYCABSQRELT-JTQLQIEISA-N 0 3 196.294 1.115 20 0 ADADHN Cc1n[nH]c(C)c1CN1CC=CCC1 679360782 486960643 /nfs/dbraw/zinc/96/06/43/486960643.db2.gz WLYHGRALBOLBHU-UHFFFAOYSA-N 0 3 191.278 1.788 20 0 ADADHN CCCC(=O)NC(C)(C)CN(C)C 149642167 486961340 /nfs/dbraw/zinc/96/13/40/486961340.db2.gz FLVJBEQIGGSLAP-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CCOCCN(C)Cc1ccn(C)c1 679423416 486962403 /nfs/dbraw/zinc/96/24/03/486962403.db2.gz RHVDJXBYWCVWSY-UHFFFAOYSA-N 0 3 196.294 1.493 20 0 ADADHN CC(C)NCC(=O)NCCCC1CC1 157310150 486963670 /nfs/dbraw/zinc/96/36/70/486963670.db2.gz PYXHVPDGWFIAQG-UHFFFAOYSA-N 0 3 198.310 1.291 20 0 ADADHN NC1(C(=O)NCCCC2CC2)CCC1 157312050 486963599 /nfs/dbraw/zinc/96/35/99/486963599.db2.gz FZGPLUNCNIDSQX-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN CC[C@@H](N)C(=O)NCCCC1CC1 157304264 486963964 /nfs/dbraw/zinc/96/39/64/486963964.db2.gz JEIPGIKUUBPOMM-SECBINFHSA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)[C@@H](N)C(=O)NCCCC1CC1 157319828 486964225 /nfs/dbraw/zinc/96/42/25/486964225.db2.gz OXDVTMCASTZGMT-SNVBAGLBSA-N 0 3 198.310 1.276 20 0 ADADHN CCCCCN(CC(N)=O)CC1CC1 679537357 486964302 /nfs/dbraw/zinc/96/43/02/486964302.db2.gz HRQIURPOZDGLGU-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CC(C)[C@H](N)C(=O)NC[C@@H](C)C1CC1 157555560 486964600 /nfs/dbraw/zinc/96/46/00/486964600.db2.gz ZSXAESLMNHPHSG-SCZZXKLOSA-N 0 3 198.310 1.132 20 0 ADADHN CCCC(C)(C)NC(=O)[C@H](C)N 157567801 486964655 /nfs/dbraw/zinc/96/46/55/486964655.db2.gz FWZCZEMOHCZMRT-ZETCQYMHSA-N 0 3 172.272 1.029 20 0 ADADHN CC(C)[C@H](N)C(=O)NC[C@H](C)C1CC1 157555726 486964789 /nfs/dbraw/zinc/96/47/89/486964789.db2.gz ZSXAESLMNHPHSG-WPRPVWTQSA-N 0 3 198.310 1.132 20 0 ADADHN CCCC(C)(C)NC(=O)[C@@H](C)N 157568106 486964843 /nfs/dbraw/zinc/96/48/43/486964843.db2.gz FWZCZEMOHCZMRT-SSDOTTSWSA-N 0 3 172.272 1.029 20 0 ADADHN CCCC(C)(C)NC(=O)[C@@H](N)CC 157568276 486964972 /nfs/dbraw/zinc/96/49/72/486964972.db2.gz XALPDOYYNKHUOA-QMMMGPOBSA-N 0 3 186.299 1.419 20 0 ADADHN CCCCCN(C)CC(=O)NC1CC1 679629582 486966621 /nfs/dbraw/zinc/96/66/21/486966621.db2.gz NQXPLUQPQMCHOU-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H](N)C(=O)NCCCC1CC1 157744352 486966700 /nfs/dbraw/zinc/96/67/00/486966700.db2.gz JEIPGIKUUBPOMM-VIFPVBQESA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)(N)C(=O)NCCCC1CC1 157742984 486966766 /nfs/dbraw/zinc/96/67/66/486966766.db2.gz GGMYIXSFVWVHKU-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN Cc1cccnc1CN(C)C[C@@H](C)O 157724921 486966844 /nfs/dbraw/zinc/96/68/44/486966844.db2.gz RIZJBGVBMAFXAW-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN CC(C)[C@H](N)C(=O)NCCCC1CC1 157744858 486967041 /nfs/dbraw/zinc/96/70/41/486967041.db2.gz OXDVTMCASTZGMT-JTQLQIEISA-N 0 3 198.310 1.276 20 0 ADADHN CO[C@@H](C)CN(C)CCC(F)(F)F 679850671 486970235 /nfs/dbraw/zinc/97/02/35/486970235.db2.gz IUJGHIMRGSHFTR-ZETCQYMHSA-N 0 3 199.216 1.906 20 0 ADADHN CO[C@H](C)CN(C)CCC(F)(F)F 679850667 486970846 /nfs/dbraw/zinc/97/08/46/486970846.db2.gz IUJGHIMRGSHFTR-SSDOTTSWSA-N 0 3 199.216 1.906 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N(C)C1CCC1 159144317 486971630 /nfs/dbraw/zinc/97/16/30/486971630.db2.gz WGMLFCSCFXWYBU-WPRPVWTQSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N(C)C1CCC1 159106558 486971647 /nfs/dbraw/zinc/97/16/47/486971647.db2.gz DXDRQDRNUSPFIO-SNVBAGLBSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C 159128773 486971873 /nfs/dbraw/zinc/97/18/73/486971873.db2.gz VIJVHMYNUXHCTD-XKNYDFJKSA-N 0 3 198.310 1.132 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C1CCC1 159144205 486971975 /nfs/dbraw/zinc/97/19/75/486971975.db2.gz WGMLFCSCFXWYBU-SCZZXKLOSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)C[C@H](N)C(=O)N(C)C1CCC1 159106424 486972086 /nfs/dbraw/zinc/97/20/86/486972086.db2.gz DXDRQDRNUSPFIO-JTQLQIEISA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@H]1C 159129048 486972214 /nfs/dbraw/zinc/97/22/14/486972214.db2.gz VIJVHMYNUXHCTD-QEYWKRMJSA-N 0 3 198.310 1.132 20 0 ADADHN CO[C@H](C)CN(C)CCOC(C)C 679853038 486972984 /nfs/dbraw/zinc/97/29/84/486972984.db2.gz YDEZFWFDJOZOFH-SNVBAGLBSA-N 0 3 189.299 1.378 20 0 ADADHN CO[C@@H](C)CN(C)CCOC(C)C 679853037 486973229 /nfs/dbraw/zinc/97/32/29/486973229.db2.gz YDEZFWFDJOZOFH-JTQLQIEISA-N 0 3 189.299 1.378 20 0 ADADHN CO[C@H](C)CN1CCOC[C@H]1C1CC1 679856981 486973829 /nfs/dbraw/zinc/97/38/29/486973829.db2.gz SLEBIBQZRCUFIM-KOLCDFICSA-N 0 3 199.294 1.132 20 0 ADADHN COCC1(N(C)C[C@@H](C)OC)CC1 679857096 486974003 /nfs/dbraw/zinc/97/40/03/486974003.db2.gz WOLIAZNODICDJA-SECBINFHSA-N 0 3 187.283 1.132 20 0 ADADHN COCC1(N(C)C[C@H](C)OC)CC1 679857097 486974050 /nfs/dbraw/zinc/97/40/50/486974050.db2.gz WOLIAZNODICDJA-VIFPVBQESA-N 0 3 187.283 1.132 20 0 ADADHN CO[C@H](C)CN1CCOC[C@@H]1C1CC1 679856983 486974368 /nfs/dbraw/zinc/97/43/68/486974368.db2.gz SLEBIBQZRCUFIM-MWLCHTKSSA-N 0 3 199.294 1.132 20 0 ADADHN CO[C@@H](C)CN1CCOC[C@H]1C1CC1 679856984 486974430 /nfs/dbraw/zinc/97/44/30/486974430.db2.gz SLEBIBQZRCUFIM-ONGXEEELSA-N 0 3 199.294 1.132 20 0 ADADHN CO[C@@H](C)CN1CCOC[C@@H]1C1CC1 679856979 486974760 /nfs/dbraw/zinc/97/47/60/486974760.db2.gz SLEBIBQZRCUFIM-GXSJLCMTSA-N 0 3 199.294 1.132 20 0 ADADHN CNC(=O)CN(C)CC1CCCCC1 679881964 486976103 /nfs/dbraw/zinc/97/61/03/486976103.db2.gz HBMRSCZMLLUJHR-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN Cc1cnccc1CN[C@@H]1CCOC1 160602512 486976145 /nfs/dbraw/zinc/97/61/45/486976145.db2.gz NNVLHYDNXSTFKA-LLVKDONJSA-N 0 3 192.262 1.269 20 0 ADADHN CC[C@@H](C)N1CCN(CC2CC2)CC1 680010910 486977615 /nfs/dbraw/zinc/97/76/15/486977615.db2.gz NYBQSHJTWZMDKZ-LLVKDONJSA-N 0 3 196.338 1.813 20 0 ADADHN CC[C@H](C)N1CCN(CC2CC2)CC1 680010911 486978296 /nfs/dbraw/zinc/97/82/96/486978296.db2.gz NYBQSHJTWZMDKZ-NSHDSACASA-N 0 3 196.338 1.813 20 0 ADADHN CNC(=O)CN(C)C[C@H]1CC=CCC1 680099986 486979492 /nfs/dbraw/zinc/97/94/92/486979492.db2.gz VUOLDWWOIAZSAO-JTQLQIEISA-N 0 3 196.294 1.021 20 0 ADADHN CNC(=O)CN(C)C[C@@H]1CC=CCC1 680099988 486980223 /nfs/dbraw/zinc/98/02/23/486980223.db2.gz VUOLDWWOIAZSAO-SNVBAGLBSA-N 0 3 196.294 1.021 20 0 ADADHN CCN(CC)CCOc1nc(C)no1 680177443 486980920 /nfs/dbraw/zinc/98/09/20/486980920.db2.gz NPXFUEMBQUBKSS-UHFFFAOYSA-N 0 3 199.254 1.099 20 0 ADADHN Cc1cccc(CN[C@@H](C)CO)c1F 161965141 486981241 /nfs/dbraw/zinc/98/12/41/486981241.db2.gz NLQLLJOXRCIMFL-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN Cc1cccc(CN[C@H](C)CO)c1F 161965255 486981287 /nfs/dbraw/zinc/98/12/87/486981287.db2.gz NLQLLJOXRCIMFL-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN C[C@@H](N[C@@H]1CCOC1)c1cncs1 161952249 486981462 /nfs/dbraw/zinc/98/14/62/486981462.db2.gz VAPABCIOUGZYPM-HTQZYQBOSA-N 0 3 198.291 1.583 20 0 ADADHN Cc1occc1CN[C@@H](C)CO 161952485 486981489 /nfs/dbraw/zinc/98/14/89/486981489.db2.gz UHUAUSFJBSLMLL-ZETCQYMHSA-N 0 3 169.224 1.058 20 0 ADADHN Cc1occc1CN[C@H](C)CO 161952581 486981525 /nfs/dbraw/zinc/98/15/25/486981525.db2.gz UHUAUSFJBSLMLL-SSDOTTSWSA-N 0 3 169.224 1.058 20 0 ADADHN C[C@H](N[C@@H]1CCOC1)c1cncs1 161952164 486981563 /nfs/dbraw/zinc/98/15/63/486981563.db2.gz VAPABCIOUGZYPM-JGVFFNPUSA-N 0 3 198.291 1.583 20 0 ADADHN C[C@@H]1CCCC[C@H]1CN(C)CC(N)=O 680326370 486981873 /nfs/dbraw/zinc/98/18/73/486981873.db2.gz BRPQHDCCCNYJQB-ZJUUUORDSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@H]1CCCC[C@@H]1CN(C)CC(N)=O 680326368 486981976 /nfs/dbraw/zinc/98/19/76/486981976.db2.gz BRPQHDCCCNYJQB-VHSXEESVSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@H]1CCCC[C@H]1CN(C)CC(N)=O 680326366 486982020 /nfs/dbraw/zinc/98/20/20/486982020.db2.gz BRPQHDCCCNYJQB-UWVGGRQHSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@@H]1CCCC[C@@H]1CN(C)CC(N)=O 680326365 486982257 /nfs/dbraw/zinc/98/22/57/486982257.db2.gz BRPQHDCCCNYJQB-NXEZZACHSA-N 0 3 198.310 1.230 20 0 ADADHN CCc1cccc(CNCCOC)c1 162364266 486983068 /nfs/dbraw/zinc/98/30/68/486983068.db2.gz JLYRCZMFMROMCS-UHFFFAOYSA-N 0 3 193.290 1.985 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[C@H]1C 162575466 486983540 /nfs/dbraw/zinc/98/35/40/486983540.db2.gz VIJVHMYNUXHCTD-JXUBOQSCSA-N 0 3 198.310 1.132 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@H]1C 162575609 486983765 /nfs/dbraw/zinc/98/37/65/486983765.db2.gz VIJVHMYNUXHCTD-JLIMGVALSA-N 0 3 198.310 1.132 20 0 ADADHN Cc1occc1CN[C@@H](C)CN(C)C 162755838 486984003 /nfs/dbraw/zinc/98/40/03/486984003.db2.gz HCWJNJKUKVBIMV-VIFPVBQESA-N 0 3 196.294 1.628 20 0 ADADHN CCn1nccc1CN[C@H]1CC1(C)C 162684076 486984114 /nfs/dbraw/zinc/98/41/14/486984114.db2.gz IYFDGXZRQROBFF-JTQLQIEISA-N 0 3 193.294 1.791 20 0 ADADHN Cc1ccccc1CCN(C)CCO 162890566 486984876 /nfs/dbraw/zinc/98/48/76/486984876.db2.gz ISGJATGIMCTOOT-UHFFFAOYSA-N 0 3 193.290 1.462 20 0 ADADHN CCC[C@@H]1CCCCN1CC(=O)NC 680433954 486984944 /nfs/dbraw/zinc/98/49/44/486984944.db2.gz DQDFDTWIMDNGRO-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN Cc1occc1CNCCCO 163266819 486985171 /nfs/dbraw/zinc/98/51/71/486985171.db2.gz CWBLDKCCARDIKE-UHFFFAOYSA-N 0 3 169.224 1.060 20 0 ADADHN CCC[C@H]1CCCCN1CC(=O)NC 680433953 486985193 /nfs/dbraw/zinc/98/51/93/486985193.db2.gz DQDFDTWIMDNGRO-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CO[C@H](C)CNCc1ccc(O)cc1 162947807 486985384 /nfs/dbraw/zinc/98/53/84/486985384.db2.gz NKVBTPAUJNDZST-SECBINFHSA-N 0 3 195.262 1.517 20 0 ADADHN CO[C@@H](C)CNCc1ccc(O)cc1 162947684 486985438 /nfs/dbraw/zinc/98/54/38/486985438.db2.gz NKVBTPAUJNDZST-VIFPVBQESA-N 0 3 195.262 1.517 20 0 ADADHN CCNCc1cccc(OC)c1F 162997006 486985859 /nfs/dbraw/zinc/98/58/59/486985859.db2.gz VKHTXHCIYOKFDF-UHFFFAOYSA-N 0 3 183.226 1.944 20 0 ADADHN C[C@]1(CO)CCCN1Cc1ccno1 680582749 486987916 /nfs/dbraw/zinc/98/79/16/486987916.db2.gz KNDNRHPTMFYHEV-SNVBAGLBSA-N 0 3 196.250 1.021 20 0 ADADHN C[C@@]1(CO)CCCN1Cc1ccno1 680582748 486987937 /nfs/dbraw/zinc/98/79/37/486987937.db2.gz KNDNRHPTMFYHEV-JTQLQIEISA-N 0 3 196.250 1.021 20 0 ADADHN CC(C)N1CCn2cncc2C1 165594372 486992746 /nfs/dbraw/zinc/99/27/46/486992746.db2.gz ROESZUKOSCFUPW-UHFFFAOYSA-N 0 3 165.240 1.107 20 0 ADADHN CCC(=O)NCCN1CC=C(C)CC1 680825633 486993302 /nfs/dbraw/zinc/99/33/02/486993302.db2.gz FGRXTDYFIYDCNV-UHFFFAOYSA-N 0 3 196.294 1.165 20 0 ADADHN CC[C@H]1CCN(C(=O)CNC(C)C)C1 166156659 486994348 /nfs/dbraw/zinc/99/43/48/486994348.db2.gz CSNFQHUWDKVHMQ-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1CCN(C(=O)CNC(C)C)C1 166156548 486994383 /nfs/dbraw/zinc/99/43/83/486994383.db2.gz CSNFQHUWDKVHMQ-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1cccnc1 166697923 486994776 /nfs/dbraw/zinc/99/47/76/486994776.db2.gz HRVQTLXKLMBKNP-VHSXEESVSA-N 0 3 194.278 1.767 20 0 ADADHN COCCN(C)Cc1ccc(F)cc1 680876757 486994839 /nfs/dbraw/zinc/99/48/39/486994839.db2.gz XKKFKENRVCARFA-UHFFFAOYSA-N 0 3 197.253 1.904 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1ccncc1 166697462 486994949 /nfs/dbraw/zinc/99/49/49/486994949.db2.gz JJINVZBMOJDDJV-VHSXEESVSA-N 0 3 194.278 1.767 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1ccccn1 166698498 486995072 /nfs/dbraw/zinc/99/50/72/486995072.db2.gz NHEYTCUCNCOYGH-NXEZZACHSA-N 0 3 194.278 1.767 20 0 ADADHN COCCN[C@@H](C)c1cncc(F)c1 166313869 486995095 /nfs/dbraw/zinc/99/50/95/486995095.db2.gz QXZLFBZTCXDNRD-QMMMGPOBSA-N 0 3 198.241 1.518 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1ccccn1 166698156 486995176 /nfs/dbraw/zinc/99/51/76/486995176.db2.gz NHEYTCUCNCOYGH-UWVGGRQHSA-N 0 3 194.278 1.767 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1ccncc1 166697236 486995198 /nfs/dbraw/zinc/99/51/98/486995198.db2.gz JJINVZBMOJDDJV-UWVGGRQHSA-N 0 3 194.278 1.767 20 0 ADADHN CC(C)=CCN(C)[C@]1(CO)CCOC1 680865953 486995223 /nfs/dbraw/zinc/99/52/23/486995223.db2.gz VOADEGMMCASCIK-NSHDSACASA-N 0 3 199.294 1.036 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1cccnc1 166697814 486995256 /nfs/dbraw/zinc/99/52/56/486995256.db2.gz HRVQTLXKLMBKNP-ZJUUUORDSA-N 0 3 194.278 1.767 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1ccccn1 166698273 486995275 /nfs/dbraw/zinc/99/52/75/486995275.db2.gz NHEYTCUCNCOYGH-ZJUUUORDSA-N 0 3 194.278 1.767 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1cccnc1 166698043 486995310 /nfs/dbraw/zinc/99/53/10/486995310.db2.gz HRVQTLXKLMBKNP-NXEZZACHSA-N 0 3 194.278 1.767 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1ccccn1 166698383 486995322 /nfs/dbraw/zinc/99/53/22/486995322.db2.gz NHEYTCUCNCOYGH-VHSXEESVSA-N 0 3 194.278 1.767 20 0 ADADHN COCCN(C)Cc1cccs1 680877099 486995332 /nfs/dbraw/zinc/99/53/32/486995332.db2.gz YXTKAHQYOFFBQU-UHFFFAOYSA-N 0 3 185.292 1.826 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1ccncc1 166697572 486995411 /nfs/dbraw/zinc/99/54/11/486995411.db2.gz JJINVZBMOJDDJV-NXEZZACHSA-N 0 3 194.278 1.767 20 0 ADADHN CC(C)=CCN(C)[C@@]1(CO)CCOC1 680865951 486995436 /nfs/dbraw/zinc/99/54/36/486995436.db2.gz VOADEGMMCASCIK-LLVKDONJSA-N 0 3 199.294 1.036 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1cccnc1 166697690 486995440 /nfs/dbraw/zinc/99/54/40/486995440.db2.gz HRVQTLXKLMBKNP-UWVGGRQHSA-N 0 3 194.278 1.767 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1ccncc1 166697349 486995468 /nfs/dbraw/zinc/99/54/68/486995468.db2.gz JJINVZBMOJDDJV-ZJUUUORDSA-N 0 3 194.278 1.767 20 0 ADADHN CO[C@@H](C)CNCc1ccccn1 166992508 486995834 /nfs/dbraw/zinc/99/58/34/486995834.db2.gz MVLPDTYEDDFLAO-VIFPVBQESA-N 0 3 180.251 1.206 20 0 ADADHN CO[C@H](C)CNCc1cccnc1 166996989 486995860 /nfs/dbraw/zinc/99/58/60/486995860.db2.gz STVYWIPPXFXQMQ-SECBINFHSA-N 0 3 180.251 1.206 20 0 ADADHN CO[C@H](C)CNCc1ccccn1 166992608 486996155 /nfs/dbraw/zinc/99/61/55/486996155.db2.gz MVLPDTYEDDFLAO-SECBINFHSA-N 0 3 180.251 1.206 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1cnccn1 166831690 486996185 /nfs/dbraw/zinc/99/61/85/486996185.db2.gz IPTOUTQKXLRTHG-RKDXNWHRSA-N 0 3 177.251 1.222 20 0 ADADHN CO[C@@H](C)CNCc1cccnc1 166996890 486996214 /nfs/dbraw/zinc/99/62/14/486996214.db2.gz STVYWIPPXFXQMQ-VIFPVBQESA-N 0 3 180.251 1.206 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1cnccn1 166831807 486996233 /nfs/dbraw/zinc/99/62/33/486996233.db2.gz IPTOUTQKXLRTHG-DTWKUNHWSA-N 0 3 177.251 1.222 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1cnccn1 166831912 486996327 /nfs/dbraw/zinc/99/63/27/486996327.db2.gz IPTOUTQKXLRTHG-BDAKNGLRSA-N 0 3 177.251 1.222 20 0 ADADHN CO[C@H](C)CNCc1ccccc1F 166990661 486996381 /nfs/dbraw/zinc/99/63/81/486996381.db2.gz FMLUMGAMKVGMGY-SECBINFHSA-N 0 3 197.253 1.950 20 0 ADADHN CO[C@@H](C)CNCc1ccccc1F 166990544 486996401 /nfs/dbraw/zinc/99/64/01/486996401.db2.gz FMLUMGAMKVGMGY-VIFPVBQESA-N 0 3 197.253 1.950 20 0 ADADHN CO[C@@H](C)CNCc1ccncc1 166997105 486996434 /nfs/dbraw/zinc/99/64/34/486996434.db2.gz ZQBKQKSJDHJNLL-VIFPVBQESA-N 0 3 180.251 1.206 20 0 ADADHN C[C@H]1C[C@H]1CNCc1cnccn1 166832028 486996564 /nfs/dbraw/zinc/99/65/64/486996564.db2.gz IPTOUTQKXLRTHG-IUCAKERBSA-N 0 3 177.251 1.222 20 0 ADADHN CO[C@@H](C)CNCc1cccc(F)c1 166998644 486997006 /nfs/dbraw/zinc/99/70/06/486997006.db2.gz LZEKYJAFWBFTLQ-VIFPVBQESA-N 0 3 197.253 1.950 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1ccco1 167008053 486997029 /nfs/dbraw/zinc/99/70/29/486997029.db2.gz VLFBOIFPCYIWMU-BDAKNGLRSA-N 0 3 183.251 1.965 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1ccco1 167007959 486997112 /nfs/dbraw/zinc/99/71/12/486997112.db2.gz VLFBOIFPCYIWMU-IUCAKERBSA-N 0 3 183.251 1.965 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1ccco1 167008162 486997287 /nfs/dbraw/zinc/99/72/87/486997287.db2.gz VLFBOIFPCYIWMU-DTWKUNHWSA-N 0 3 183.251 1.965 20 0 ADADHN CO[C@H](C)CNCc1cccc(F)c1 166998757 486997492 /nfs/dbraw/zinc/99/74/92/486997492.db2.gz LZEKYJAFWBFTLQ-SECBINFHSA-N 0 3 197.253 1.950 20 0 ADADHN CO[C@H](C)CNCc1ccncc1 166997203 486997533 /nfs/dbraw/zinc/99/75/33/486997533.db2.gz ZQBKQKSJDHJNLL-SECBINFHSA-N 0 3 180.251 1.206 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1ccco1 167008279 486997575 /nfs/dbraw/zinc/99/75/75/486997575.db2.gz VLFBOIFPCYIWMU-RKDXNWHRSA-N 0 3 183.251 1.965 20 0 ADADHN CO[C@H](C)CNCc1ccsc1 167071506 486998116 /nfs/dbraw/zinc/99/81/16/486998116.db2.gz AEWAAIYFNCCQJV-MRVPVSSYSA-N 0 3 185.292 1.873 20 0 ADADHN CO[C@@H](C)CNCc1ccc(C)o1 167063621 486998195 /nfs/dbraw/zinc/99/81/95/486998195.db2.gz FXFBEMJSLXRLRF-VIFPVBQESA-N 0 3 183.251 1.713 20 0 ADADHN CO[C@@H](C)CNCc1ccsc1 167071394 486998208 /nfs/dbraw/zinc/99/82/08/486998208.db2.gz AEWAAIYFNCCQJV-QMMMGPOBSA-N 0 3 185.292 1.873 20 0 ADADHN CO[C@H](C)CNCc1ccc(C)o1 167063508 486998441 /nfs/dbraw/zinc/99/84/41/486998441.db2.gz FXFBEMJSLXRLRF-SECBINFHSA-N 0 3 183.251 1.713 20 0 ADADHN CO[C@@H](C)CNCc1cnccc1C 167255827 486999348 /nfs/dbraw/zinc/99/93/48/486999348.db2.gz VJGZOFUYXBXYGH-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN CO[C@@H](C)CNCc1c(C)noc1C 167110296 486999398 /nfs/dbraw/zinc/99/93/98/486999398.db2.gz UAKDTNQNRYQKMB-ZETCQYMHSA-N 0 3 198.266 1.416 20 0 ADADHN CO[C@H](C)CNCc1c(C)noc1C 167110181 486999417 /nfs/dbraw/zinc/99/94/17/486999417.db2.gz UAKDTNQNRYQKMB-SSDOTTSWSA-N 0 3 198.266 1.416 20 0 ADADHN CO[C@H](C)CNCc1cnccc1C 167255719 486999540 /nfs/dbraw/zinc/99/95/40/486999540.db2.gz VJGZOFUYXBXYGH-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN CCCNC(=O)CN(C)C1CCCC1 680941486 487001343 /nfs/dbraw/zinc/00/13/43/487001343.db2.gz KRFXJEMOXCYLNK-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)NC(=O)CN(C)C1CCCC1 680941409 487001484 /nfs/dbraw/zinc/00/14/84/487001484.db2.gz GHORUWAVEDLAQZ-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CC/C=C/CCN(CC(N)=O)C(C)C 681018039 487004285 /nfs/dbraw/zinc/00/42/85/487004285.db2.gz HRBYYRJQWJQINJ-AATRIKPKSA-N 0 3 198.310 1.538 20 0 ADADHN CC/C=C/CCN(C)CC(=O)N(C)C 681018868 487004314 /nfs/dbraw/zinc/00/43/14/487004314.db2.gz OSROIXNVJQPXHC-VOTSOKGWSA-N 0 3 198.310 1.363 20 0 ADADHN CC/C=C\CCN(C)CC(=O)N(C)C 681018866 487004402 /nfs/dbraw/zinc/00/44/02/487004402.db2.gz OSROIXNVJQPXHC-SREVYHEPSA-N 0 3 198.310 1.363 20 0 ADADHN CC/C=C\CCN(CC(N)=O)C(C)C 681018042 487004616 /nfs/dbraw/zinc/00/46/16/487004616.db2.gz HRBYYRJQWJQINJ-WAYWQWQTSA-N 0 3 198.310 1.538 20 0 ADADHN CC/C=C/CCN(C)[C@@H]1CCNC1=O 681025854 487006467 /nfs/dbraw/zinc/00/64/67/487006467.db2.gz UBWGCLFEVRRXHZ-ORAHPGNNSA-N 0 3 196.294 1.163 20 0 ADADHN CC/C=C/CCN(C)[C@H]1CCNC1=O 681025856 487006608 /nfs/dbraw/zinc/00/66/08/487006608.db2.gz UBWGCLFEVRRXHZ-YEZKRMTDSA-N 0 3 196.294 1.163 20 0 ADADHN CC/C=C\CCN(C)[C@H]1CCNC1=O 681025853 487006801 /nfs/dbraw/zinc/00/68/01/487006801.db2.gz UBWGCLFEVRRXHZ-LWTINBJPSA-N 0 3 196.294 1.163 20 0 ADADHN CC/C=C\CCN(C)[C@@H]1CCNC1=O 681025855 487007057 /nfs/dbraw/zinc/00/70/57/487007057.db2.gz UBWGCLFEVRRXHZ-UMCURTJPSA-N 0 3 196.294 1.163 20 0 ADADHN CCN1CCOC2(CCOCC2)CC1 681099292 487009320 /nfs/dbraw/zinc/00/93/20/487009320.db2.gz WSWHLIDEVFLUHH-UHFFFAOYSA-N 0 3 199.294 1.278 20 0 ADADHN c1n[nH]cc1CN1CCCC2(CC2)C1 681167950 487012714 /nfs/dbraw/zinc/01/27/14/487012714.db2.gz BYWHRKRHOGNMPT-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN CC(C)C(=O)N(C)CCN(C)C1CC1 681202048 487013072 /nfs/dbraw/zinc/01/30/72/487013072.db2.gz HSMSVDKEEINPLW-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CCCC(=O)N(C)CCN(C)C1CC1 681202854 487013423 /nfs/dbraw/zinc/01/34/23/487013423.db2.gz ZVRWZHUJMFOIBR-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN Cc1cccc(N(C)CCN(C)C)n1 681208199 487013440 /nfs/dbraw/zinc/01/34/40/487013440.db2.gz AHEXHBRHOYIIGX-UHFFFAOYSA-N 0 3 193.294 1.388 20 0 ADADHN CCCCN1CCOC[C@@H]1C 200816599 487016730 /nfs/dbraw/zinc/01/67/30/487016730.db2.gz HHWXRXXAQZSVHR-VIFPVBQESA-N 0 3 157.257 1.507 20 0 ADADHN CCCCN1CC[C@H](F)C1 200816447 487016765 /nfs/dbraw/zinc/01/67/65/487016765.db2.gz XZOBFDPJUMGMSF-QMMMGPOBSA-N 0 3 145.221 1.830 20 0 ADADHN CC(C)CN1CCN(CC2CC2)CC1 201475937 487017347 /nfs/dbraw/zinc/01/73/47/487017347.db2.gz GJIOXZOWMLTJQI-UHFFFAOYSA-N 0 3 196.338 1.670 20 0 ADADHN CC(C)CN1CCOC(C)(C)C1 201475891 487017473 /nfs/dbraw/zinc/01/74/73/487017473.db2.gz FQIAIEZXMWRPNL-UHFFFAOYSA-N 0 3 171.284 1.753 20 0 ADADHN CC(C)(C)C[C@@H]1CCN(CC(N)=O)C1 201941710 487017806 /nfs/dbraw/zinc/01/78/06/487017806.db2.gz XNMLLMJMHLOFRA-VIFPVBQESA-N 0 3 198.310 1.230 20 0 ADADHN CC(C)(C)C[C@H]1CCN(CC(N)=O)C1 201941733 487018097 /nfs/dbraw/zinc/01/80/97/487018097.db2.gz XNMLLMJMHLOFRA-SECBINFHSA-N 0 3 198.310 1.230 20 0 ADADHN CCN(C)C(=O)[C@H](N)CCC(C)C 211332362 487021073 /nfs/dbraw/zinc/02/10/73/487021073.db2.gz ATOJCNVBLHBHJQ-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CC(C)CC[C@@H](N)C(=O)N1CCCC1 211332119 487021167 /nfs/dbraw/zinc/02/11/67/487021167.db2.gz TZNZGZVWTHMBEW-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CC[C@H](N)C(=O)N1CCCC1 211332053 487021362 /nfs/dbraw/zinc/02/13/62/487021362.db2.gz TZNZGZVWTHMBEW-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CCN(C)C(=O)[C@@H](N)CCC(C)C 211332434 487021480 /nfs/dbraw/zinc/02/14/80/487021480.db2.gz ATOJCNVBLHBHJQ-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN CCNC(=O)CN1CC[C@@H](C)[C@H]1CC 681470476 487023975 /nfs/dbraw/zinc/02/39/75/487023975.db2.gz UVSMXTZIVWFWSS-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN COCC1=CCN(CCCCO)CC1 681471529 487024362 /nfs/dbraw/zinc/02/43/62/487024362.db2.gz GBAWCVXPXSEFOU-UHFFFAOYSA-N 0 3 199.294 1.037 20 0 ADADHN CCNC(=O)CN1CC[C@@H](C)[C@@H]1CC 681470480 487024395 /nfs/dbraw/zinc/02/43/95/487024395.db2.gz UVSMXTZIVWFWSS-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CCNC(=O)CN1CC[C@H](C)[C@@H]1CC 681470478 487024419 /nfs/dbraw/zinc/02/44/19/487024419.db2.gz UVSMXTZIVWFWSS-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN COCC1=CCN(C[C@H](C)OC)CC1 681471797 487024431 /nfs/dbraw/zinc/02/44/31/487024431.db2.gz KJTMPAGWVNQGGS-JTQLQIEISA-N 0 3 199.294 1.300 20 0 ADADHN CCNC(=O)CN1CC[C@H](C)[C@H]1CC 681470479 487024556 /nfs/dbraw/zinc/02/45/56/487024556.db2.gz UVSMXTZIVWFWSS-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CCOCCN1CC=C(COC)CC1 681471699 487024574 /nfs/dbraw/zinc/02/45/74/487024574.db2.gz IGFCSDXUFLOANJ-UHFFFAOYSA-N 0 3 199.294 1.301 20 0 ADADHN COCC1=CCN(C[C@@H](C)OC)CC1 681471799 487024621 /nfs/dbraw/zinc/02/46/21/487024621.db2.gz KJTMPAGWVNQGGS-SNVBAGLBSA-N 0 3 199.294 1.300 20 0 ADADHN CC[C@H](O)CN1CC=C(COC)CC1 681472573 487025075 /nfs/dbraw/zinc/02/50/75/487025075.db2.gz XEVIHRHZZYTGQF-NSHDSACASA-N 0 3 199.294 1.036 20 0 ADADHN Cc1nccnc1N[C@@H](C)CN(C)C 214330586 487025109 /nfs/dbraw/zinc/02/51/09/487025109.db2.gz KGESHIHHKURODR-QMMMGPOBSA-N 0 3 194.282 1.147 20 0 ADADHN COCC1=CCN([C@H](C)COC)CC1 681472691 487025124 /nfs/dbraw/zinc/02/51/24/487025124.db2.gz YDCWEUQMFHDQLY-SNVBAGLBSA-N 0 3 199.294 1.300 20 0 ADADHN CC[C@@H](O)CN1CC=C(COC)CC1 681472571 487025390 /nfs/dbraw/zinc/02/53/90/487025390.db2.gz XEVIHRHZZYTGQF-LLVKDONJSA-N 0 3 199.294 1.036 20 0 ADADHN CCN(Cc1cnc[nH]1)CC(C)(C)O 681508361 487025481 /nfs/dbraw/zinc/02/54/81/487025481.db2.gz PQZJXTBESFLYTC-UHFFFAOYSA-N 0 3 197.282 1.003 20 0 ADADHN COCC1=CCN([C@@H](C)COC)CC1 681472690 487025556 /nfs/dbraw/zinc/02/55/56/487025556.db2.gz YDCWEUQMFHDQLY-JTQLQIEISA-N 0 3 199.294 1.300 20 0 ADADHN CCc1ccc(CN(C)C[C@H](C)O)o1 681569248 487026568 /nfs/dbraw/zinc/02/65/68/487026568.db2.gz IITQOSVHGYOGKB-VIFPVBQESA-N 0 3 197.278 1.655 20 0 ADADHN CC1(C)C[C@H](NCCF)CCO1 215554671 487026647 /nfs/dbraw/zinc/02/66/47/487026647.db2.gz QPIIOFWUJXBHII-MRVPVSSYSA-N 0 3 175.247 1.503 20 0 ADADHN CC1(C)C[C@@H](NCCF)CCO1 215554713 487026876 /nfs/dbraw/zinc/02/68/76/487026876.db2.gz QPIIOFWUJXBHII-QMMMGPOBSA-N 0 3 175.247 1.503 20 0 ADADHN C[C@H](C1CCCCC1)N(C)CC(N)=O 681659410 487028268 /nfs/dbraw/zinc/02/82/68/487028268.db2.gz YNRFWPYAMAGDOY-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](C1CCCCC1)N(C)CC(N)=O 681659411 487028425 /nfs/dbraw/zinc/02/84/25/487028425.db2.gz YNRFWPYAMAGDOY-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN C1CC(CCN2CCOCC2)C1 220458297 487030347 /nfs/dbraw/zinc/03/03/47/487030347.db2.gz KBOLRULKWNYEEW-UHFFFAOYSA-N 0 3 169.268 1.509 20 0 ADADHN CN[C@@H](C)C(=O)N1CC[C@H](C)[C@@H](C)C1 221666822 487032781 /nfs/dbraw/zinc/03/27/81/487032781.db2.gz YUSSJVVAEIQZIW-GUBZILKMSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)(N)C(=O)NCC1(C2CC2)CC1 221328854 487033365 /nfs/dbraw/zinc/03/33/65/487033365.db2.gz LWBZSKACGXGITJ-UHFFFAOYSA-N 0 3 196.294 1.030 20 0 ADADHN CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H](C)C1 221666769 487033264 /nfs/dbraw/zinc/03/32/64/487033264.db2.gz YUSSJVVAEIQZIW-UTLUCORTSA-N 0 3 198.310 1.099 20 0 ADADHN CCCCN1CC[C@H](C)C[C@@H]1C(N)=O 681709362 487034754 /nfs/dbraw/zinc/03/47/54/487034754.db2.gz XOEPFSKNQMISDS-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CCCCN1CC[C@@H](C)C[C@H]1C(N)=O 681709363 487034817 /nfs/dbraw/zinc/03/48/17/487034817.db2.gz XOEPFSKNQMISDS-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CCCCN1CC[C@H](C)C[C@H]1C(N)=O 681709361 487035188 /nfs/dbraw/zinc/03/51/88/487035188.db2.gz XOEPFSKNQMISDS-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CCCCN1CC[C@@H](C)C[C@@H]1C(N)=O 681709360 487035446 /nfs/dbraw/zinc/03/54/46/487035446.db2.gz XOEPFSKNQMISDS-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CO[C@@H](C)CNCc1occc1C 223880638 487035713 /nfs/dbraw/zinc/03/57/13/487035713.db2.gz CIFQNHSQZHYORR-VIFPVBQESA-N 0 3 183.251 1.713 20 0 ADADHN CO[C@H](C)CNCc1occc1C 223880683 487035727 /nfs/dbraw/zinc/03/57/27/487035727.db2.gz CIFQNHSQZHYORR-SECBINFHSA-N 0 3 183.251 1.713 20 0 ADADHN CO[C@@H](C)CNCc1c(C)n[nH]c1C 223878407 487035832 /nfs/dbraw/zinc/03/58/32/487035832.db2.gz VFFNVXJMVHGNRQ-ZETCQYMHSA-N 0 3 197.282 1.151 20 0 ADADHN CO[C@H](C)CNCc1c(C)n[nH]c1C 223878456 487035953 /nfs/dbraw/zinc/03/59/53/487035953.db2.gz VFFNVXJMVHGNRQ-SSDOTTSWSA-N 0 3 197.282 1.151 20 0 ADADHN CO[C@H](C)CNCc1ccn(C)c1 223869156 487036075 /nfs/dbraw/zinc/03/60/75/487036075.db2.gz BFGHKZDUCSMEEL-SECBINFHSA-N 0 3 182.267 1.150 20 0 ADADHN CO[C@@H](C)CNCc1ccn(C)c1 223869104 487036154 /nfs/dbraw/zinc/03/61/54/487036154.db2.gz BFGHKZDUCSMEEL-VIFPVBQESA-N 0 3 182.267 1.150 20 0 ADADHN CC(C)CCCN(C)[C@@H]1CCNC1=O 681711958 487036334 /nfs/dbraw/zinc/03/63/34/487036334.db2.gz KRRKZULOSHQCOO-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)CCCN(C)[C@H]1CCNC1=O 681711956 487036605 /nfs/dbraw/zinc/03/66/05/487036605.db2.gz KRRKZULOSHQCOO-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCn1cncc1CNC[C@H](C)OC 223948681 487036669 /nfs/dbraw/zinc/03/66/69/487036669.db2.gz WVJLSRDWVBSWPE-VIFPVBQESA-N 0 3 197.282 1.028 20 0 ADADHN CCn1nccc1CNC[C@H](C)OC 223910819 487036684 /nfs/dbraw/zinc/03/66/84/487036684.db2.gz ILNSDIQKOZOSIX-VIFPVBQESA-N 0 3 197.282 1.028 20 0 ADADHN CO[C@@H](C)CNCc1cccn1C 223923615 487036697 /nfs/dbraw/zinc/03/66/97/487036697.db2.gz SMWHWHGFQYMCNF-VIFPVBQESA-N 0 3 182.267 1.150 20 0 ADADHN CO[C@H](C)CNCc1cccc(O)c1 223933997 487036745 /nfs/dbraw/zinc/03/67/45/487036745.db2.gz JZSRMHLYVHGPTM-SECBINFHSA-N 0 3 195.262 1.517 20 0 ADADHN CCn1cncc1CNC[C@@H](C)OC 223948631 487036829 /nfs/dbraw/zinc/03/68/29/487036829.db2.gz WVJLSRDWVBSWPE-SECBINFHSA-N 0 3 197.282 1.028 20 0 ADADHN CCn1nccc1CNC[C@@H](C)OC 223910776 487036862 /nfs/dbraw/zinc/03/68/62/487036862.db2.gz ILNSDIQKOZOSIX-SECBINFHSA-N 0 3 197.282 1.028 20 0 ADADHN CO[C@@H](C)CNCc1ccc(C)cn1 223890969 487036940 /nfs/dbraw/zinc/03/69/40/487036940.db2.gz NUKFPICOORQKPG-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN CCCCC(=O)NCCN1CCCC1 223919193 487036967 /nfs/dbraw/zinc/03/69/67/487036967.db2.gz WDMLQLQPRKKZOF-UHFFFAOYSA-N 0 3 198.310 1.389 20 0 ADADHN CO[C@H](C)CNCc1cccn1C 223923665 487037000 /nfs/dbraw/zinc/03/70/00/487037000.db2.gz SMWHWHGFQYMCNF-SECBINFHSA-N 0 3 182.267 1.150 20 0 ADADHN CO[C@@H](C)CNCc1cccc(O)c1 223933943 487037059 /nfs/dbraw/zinc/03/70/59/487037059.db2.gz JZSRMHLYVHGPTM-VIFPVBQESA-N 0 3 195.262 1.517 20 0 ADADHN CO[C@H](C)CNCc1ccc(C)cn1 223891026 487037273 /nfs/dbraw/zinc/03/72/73/487037273.db2.gz NUKFPICOORQKPG-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN CO[C@H](C)CNCc1cc[nH]c1 223947329 487037474 /nfs/dbraw/zinc/03/74/74/487037474.db2.gz FWLMYILMEKRTKW-MRVPVSSYSA-N 0 3 168.240 1.139 20 0 ADADHN CO[C@@H](C)CNCc1cc[nH]c1 223947266 487037592 /nfs/dbraw/zinc/03/75/92/487037592.db2.gz FWLMYILMEKRTKW-QMMMGPOBSA-N 0 3 168.240 1.139 20 0 ADADHN CCc1ccc(CNC[C@H](C)OC)o1 224004762 487038066 /nfs/dbraw/zinc/03/80/66/487038066.db2.gz RUROPTXBXKIQQK-VIFPVBQESA-N 0 3 197.278 1.967 20 0 ADADHN CCc1ccc(CNC[C@@H](C)OC)o1 224004712 487038216 /nfs/dbraw/zinc/03/82/16/487038216.db2.gz RUROPTXBXKIQQK-SECBINFHSA-N 0 3 197.278 1.967 20 0 ADADHN CCn1cc(CNC[C@@H](C)OC)cn1 224169293 487038336 /nfs/dbraw/zinc/03/83/36/487038336.db2.gz LFJJTMUSRWQSLK-SECBINFHSA-N 0 3 197.282 1.028 20 0 ADADHN CCn1cc(CNC[C@H](C)OC)cn1 224169353 487038349 /nfs/dbraw/zinc/03/83/49/487038349.db2.gz LFJJTMUSRWQSLK-VIFPVBQESA-N 0 3 197.282 1.028 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1cnccn1 682069459 487041686 /nfs/dbraw/zinc/04/16/86/487041686.db2.gz PSKMLDFANVJUIU-JTQLQIEISA-N 0 3 193.294 1.953 20 0 ADADHN C[C@@H]1CCC[C@H](CNC(=O)[C@@H](C)N)C1 225396618 487041791 /nfs/dbraw/zinc/04/17/91/487041791.db2.gz UOTZUCFJYODEBU-BBBLOLIVSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@@H](N)C(=O)NCC1(CC)CCC1 225285924 487041833 /nfs/dbraw/zinc/04/18/33/487041833.db2.gz ZKYXGWKXZIQJSA-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H]1CCC[C@H](CNC(=O)[C@H](C)N)C1 225395669 487041873 /nfs/dbraw/zinc/04/18/73/487041873.db2.gz UOTZUCFJYODEBU-GUBZILKMSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H](N)C(=O)NC[C@H]1CCC[C@@H](C)C1 225395598 487041958 /nfs/dbraw/zinc/04/19/58/487041958.db2.gz UOTZUCFJYODEBU-UTLUCORTSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cnccn1 682069460 487041990 /nfs/dbraw/zinc/04/19/90/487041990.db2.gz PSKMLDFANVJUIU-SNVBAGLBSA-N 0 3 193.294 1.953 20 0 ADADHN C[C@@H](N)C(=O)NCCCC1CCCC1 225379774 487041998 /nfs/dbraw/zinc/04/19/98/487041998.db2.gz IQLCIJRYWHAQNR-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C)C1 225395562 487042087 /nfs/dbraw/zinc/04/20/87/487042087.db2.gz UOTZUCFJYODEBU-KXUCPTDWSA-N 0 3 198.310 1.276 20 0 ADADHN NCC(=O)NCCCC1CCCC1 225379655 487042096 /nfs/dbraw/zinc/04/20/96/487042096.db2.gz BQOZBJIBEYZOEU-UHFFFAOYSA-N 0 3 184.283 1.032 20 0 ADADHN C[C@H](N)C(=O)NCCCC1CCCC1 225379516 487042125 /nfs/dbraw/zinc/04/21/25/487042125.db2.gz IQLCIJRYWHAQNR-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](N)C(=O)NCC1(C(C)C)CC1 225287499 487042162 /nfs/dbraw/zinc/04/21/62/487042162.db2.gz NHDJUYHYFUZEDY-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN CCCC1(CNC(=O)[C@H](N)CC)CC1 225288527 487042241 /nfs/dbraw/zinc/04/22/41/487042241.db2.gz RRFQOUAHKRRCMY-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H]1CCC[C@@H](CNC(=O)[C@@H](C)N)C1 225398127 487042259 /nfs/dbraw/zinc/04/22/59/487042259.db2.gz UOTZUCFJYODEBU-IVZWLZJFSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H](C)N)C1 225396569 487042303 /nfs/dbraw/zinc/04/23/03/487042303.db2.gz UOTZUCFJYODEBU-OPRDCNLKSA-N 0 3 198.310 1.276 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)[C@H](N)CC 225287952 487042310 /nfs/dbraw/zinc/04/23/10/487042310.db2.gz CHRUSAKVGXJTIO-IWSPIJDZSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CCC[C@H](CNC(=O)[C@@H](C)N)C1 225398167 487042331 /nfs/dbraw/zinc/04/23/31/487042331.db2.gz UOTZUCFJYODEBU-AEJSXWLSSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H]1CCC[C@@H](CNC(=O)[C@H](C)N)C1 225395639 487042399 /nfs/dbraw/zinc/04/23/99/487042399.db2.gz UOTZUCFJYODEBU-LPEHRKFASA-N 0 3 198.310 1.276 20 0 ADADHN CCC1(CNC(=O)[C@@H](N)C(C)C)CC1 225453410 487042886 /nfs/dbraw/zinc/04/28/86/487042886.db2.gz POJUEDXVLQDMHC-VIFPVBQESA-N 0 3 198.310 1.276 20 0 ADADHN CCC1(CNC(=O)CN)CCCC1 225536956 487043007 /nfs/dbraw/zinc/04/30/07/487043007.db2.gz HQHONLBWTBSIMT-UHFFFAOYSA-N 0 3 184.283 1.032 20 0 ADADHN CC[C@H](N)C(=O)NCC1(CC)CCC1 225454404 487043099 /nfs/dbraw/zinc/04/30/99/487043099.db2.gz ZKYXGWKXZIQJSA-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN CCC1(CNC(=O)[C@H](C)N)CCCC1 225536825 487043199 /nfs/dbraw/zinc/04/31/99/487043199.db2.gz IJDDBLDZRZJGLM-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN CCC1(CNC(=O)C(C)(C)N)CCC1 225453865 487043325 /nfs/dbraw/zinc/04/33/25/487043325.db2.gz SSTLYQFRCLRFKG-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@H](N)C(=O)NCC1(C(C)C)CC1 225522653 487043335 /nfs/dbraw/zinc/04/33/35/487043335.db2.gz NHDJUYHYFUZEDY-VIFPVBQESA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1CC1(C)C 225472031 487043406 /nfs/dbraw/zinc/04/34/06/487043406.db2.gz ATAJGSORZULFMG-DTWKUNHWSA-N 0 3 198.310 1.132 20 0 ADADHN CC(C)[C@@H](N)C(=O)NC[C@H]1CC1(C)C 225472107 487043415 /nfs/dbraw/zinc/04/34/15/487043415.db2.gz ATAJGSORZULFMG-RKDXNWHRSA-N 0 3 198.310 1.132 20 0 ADADHN CC(C)C1(CNC(=O)C(C)(C)N)CC1 225521032 487043459 /nfs/dbraw/zinc/04/34/59/487043459.db2.gz SZNZSTIMRJAFMZ-UHFFFAOYSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)C1(N)CCCC1 225465313 487043505 /nfs/dbraw/zinc/04/35/05/487043505.db2.gz MTJRMVDRLPISFI-RKDXNWHRSA-N 0 3 196.294 1.173 20 0 ADADHN CC(C)[C@H](N)C(=O)NCC1(C)CCC1 225526157 487043549 /nfs/dbraw/zinc/04/35/49/487043549.db2.gz BRGCSCUUTACNCJ-VIFPVBQESA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)[C@H](N)C(=O)NC[C@@H]1CC1(C)C 225472072 487043558 /nfs/dbraw/zinc/04/35/58/487043558.db2.gz ATAJGSORZULFMG-IUCAKERBSA-N 0 3 198.310 1.132 20 0 ADADHN CCC1(CNC(=O)[C@@H](C)N)CCC1 225454097 487043601 /nfs/dbraw/zinc/04/36/01/487043601.db2.gz VGSNCXCKOXFVHD-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CCC1(CNC(=O)[C@H](C)N)CCC1 225453818 487043673 /nfs/dbraw/zinc/04/36/73/487043673.db2.gz VGSNCXCKOXFVHD-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN CCC1(CNC(=O)[C@@H](C)N)CCCC1 225536991 487043698 /nfs/dbraw/zinc/04/36/98/487043698.db2.gz IJDDBLDZRZJGLM-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN CC(C)[C@H](N)C(=O)NC[C@H]1CC1(C)C 225472135 487043708 /nfs/dbraw/zinc/04/37/08/487043708.db2.gz ATAJGSORZULFMG-BDAKNGLRSA-N 0 3 198.310 1.132 20 0 ADADHN CCC1(CNC(=O)C(C)(C)N)CC1 225451812 487043777 /nfs/dbraw/zinc/04/37/77/487043777.db2.gz FLAZFHWWKNRQIF-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CCC1(CNC(=O)[C@H](N)C(C)C)CC1 225453444 487043784 /nfs/dbraw/zinc/04/37/84/487043784.db2.gz POJUEDXVLQDMHC-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN CCCC[C@@H](CCC)NC(=O)CN 225538511 487044208 /nfs/dbraw/zinc/04/42/08/487044208.db2.gz UGGONRWGJYDTFR-SECBINFHSA-N 0 3 186.299 1.420 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)C(C)(C)N 225543200 487044222 /nfs/dbraw/zinc/04/42/22/487044222.db2.gz PNTVJGHHCXFQNN-HTQZYQBOSA-N 0 3 184.283 1.029 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](N)CC 225545036 487044266 /nfs/dbraw/zinc/04/42/66/487044266.db2.gz CHRUSAKVGXJTIO-HRDYMLBCSA-N 0 3 184.283 1.029 20 0 ADADHN CCC[C@H](C)N1CCc2c[nH]nc2C1 682075409 487044308 /nfs/dbraw/zinc/04/43/08/487044308.db2.gz YDCZPWBRESVSHO-VIFPVBQESA-N 0 3 193.294 1.956 20 0 ADADHN CCC[C@@H](C)N1CCc2c[nH]nc2C1 682075403 487044399 /nfs/dbraw/zinc/04/43/99/487044399.db2.gz YDCZPWBRESVSHO-SECBINFHSA-N 0 3 193.294 1.956 20 0 ADADHN CCCC1(CNC(=O)C(C)(C)N)CC1 225561684 487044418 /nfs/dbraw/zinc/04/44/18/487044418.db2.gz JBHRKVMHQUOQNC-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CN(CCc1cnccn1)C1CCC1 682075791 487044340 /nfs/dbraw/zinc/04/43/40/487044340.db2.gz JDIXYJKZTTZHQM-UHFFFAOYSA-N 0 3 191.278 1.503 20 0 ADADHN CCCC1(CNC(=O)[C@@H](C)N)CC1 225561866 487044343 /nfs/dbraw/zinc/04/43/43/487044343.db2.gz GPIBKPXPXHURIG-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CNCC(=O)NC[C@@H]1CCC[C@H](C)C1 226324073 487048748 /nfs/dbraw/zinc/04/87/48/487048748.db2.gz DVJIZFOSNDXUNW-VHSXEESVSA-N 0 3 198.310 1.148 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](N)C(C)C 225546023 487044486 /nfs/dbraw/zinc/04/44/86/487044486.db2.gz SOKBADFIWYCHEP-BBBLOLIVSA-N 0 3 198.310 1.275 20 0 ADADHN CCCC[C@H](CCC)NC(=O)CN 225538532 487044529 /nfs/dbraw/zinc/04/45/29/487044529.db2.gz UGGONRWGJYDTFR-VIFPVBQESA-N 0 3 186.299 1.420 20 0 ADADHN CCCC1(CNC(=O)[C@H](C)N)CC1 225561649 487044581 /nfs/dbraw/zinc/04/45/81/487044581.db2.gz GPIBKPXPXHURIG-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN CCCC1(CNC(=O)[C@@H](N)CC)CC1 225562033 487044624 /nfs/dbraw/zinc/04/46/24/487044624.db2.gz RRFQOUAHKRRCMY-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN CCCN1CCNC(=O)[C@]1(C)CCC 682093904 487045367 /nfs/dbraw/zinc/04/53/67/487045367.db2.gz VASCIWOMTJSLSN-NSHDSACASA-N 0 3 198.310 1.387 20 0 ADADHN CCCN1CCNC(=O)[C@@]1(C)CCC 682093903 487045713 /nfs/dbraw/zinc/04/57/13/487045713.db2.gz VASCIWOMTJSLSN-LLVKDONJSA-N 0 3 198.310 1.387 20 0 ADADHN C[C@H]1CN([C@@H]2CCCC[C@H]2O)CCO1 226239658 487046641 /nfs/dbraw/zinc/04/66/41/487046641.db2.gz ZYCYTBOXCQTFMG-HBNTYKKESA-N 0 3 199.294 1.011 20 0 ADADHN CN(C)CCNC(=O)C1=CCCCC1 682150436 487046800 /nfs/dbraw/zinc/04/68/00/487046800.db2.gz BGXFTVGUYYWGQH-UHFFFAOYSA-N 0 3 196.294 1.165 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C 226193580 487046826 /nfs/dbraw/zinc/04/68/26/487046826.db2.gz XHQMURPSUORGLP-KATARQTJSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@@H]1CN([C@@H]2CCCC[C@H]2O)CCO1 226239651 487046909 /nfs/dbraw/zinc/04/69/09/487046909.db2.gz ZYCYTBOXCQTFMG-GMTAPVOTSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 226193568 487047012 /nfs/dbraw/zinc/04/70/12/487047012.db2.gz XHQMURPSUORGLP-XFWSIPNHSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H]1C[C@H](C)CC[C@H]1NC(=O)[C@@H](C)N 226193562 487047024 /nfs/dbraw/zinc/04/70/24/487047024.db2.gz XHQMURPSUORGLP-UTINFBMNSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@@H](C)N 226193574 487047069 /nfs/dbraw/zinc/04/70/69/487047069.db2.gz XHQMURPSUORGLP-RGOKHQFPSA-N 0 3 198.310 1.275 20 0 ADADHN CNCC(=O)NC[C@H]1CCC[C@H](C)C1 226324081 487048523 /nfs/dbraw/zinc/04/85/23/487048523.db2.gz DVJIZFOSNDXUNW-UWVGGRQHSA-N 0 3 198.310 1.148 20 0 ADADHN CNCC(=O)NC[C@@H]1CCC[C@@H](C)C1 226324060 487048657 /nfs/dbraw/zinc/04/86/57/487048657.db2.gz DVJIZFOSNDXUNW-NXEZZACHSA-N 0 3 198.310 1.148 20 0 ADADHN CCC1(CNC(=O)C2(N)CC2)CCC1 226343966 487048882 /nfs/dbraw/zinc/04/88/82/487048882.db2.gz MSVTVUQSCFKBPJ-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN CNCC(=O)NC[C@H]1CCC[C@@H](C)C1 226324065 487049042 /nfs/dbraw/zinc/04/90/42/487049042.db2.gz DVJIZFOSNDXUNW-ZJUUUORDSA-N 0 3 198.310 1.148 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](N)CC(C)C 226349190 487049268 /nfs/dbraw/zinc/04/92/68/487049268.db2.gz HBLKSGFHBSCZQA-KXUCPTDWSA-N 0 3 198.310 1.275 20 0 ADADHN CNCC(=O)NCCCC1CCCC1 226313830 487049595 /nfs/dbraw/zinc/04/95/95/487049595.db2.gz NGRPKAKEAAOKQP-UHFFFAOYSA-N 0 3 198.310 1.292 20 0 ADADHN CC(C)C1(CNC(=O)C2(N)CC2)CC1 226370975 487050081 /nfs/dbraw/zinc/05/00/81/487050081.db2.gz PWWNRXVMPJQQKV-UHFFFAOYSA-N 0 3 196.294 1.030 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NCC1(C)CC1 226373323 487050126 /nfs/dbraw/zinc/05/01/26/487050126.db2.gz ZRWVUTRPSLBXQS-IUCAKERBSA-N 0 3 198.310 1.276 20 0 ADADHN CCC[C@@](C)(N)C(=O)NCC1(C)CC1 226373383 487050134 /nfs/dbraw/zinc/05/01/34/487050134.db2.gz UPPCABOHERHYIQ-LLVKDONJSA-N 0 3 198.310 1.420 20 0 ADADHN CCC[C@](C)(N)C(=O)NCC1(C)CC1 226373386 487050178 /nfs/dbraw/zinc/05/01/78/487050178.db2.gz UPPCABOHERHYIQ-NSHDSACASA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)NCC1(C)CC1 226373317 487050531 /nfs/dbraw/zinc/05/05/31/487050531.db2.gz ZRWVUTRPSLBXQS-BDAKNGLRSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](N)C(C)(C)C 226350123 487050683 /nfs/dbraw/zinc/05/06/83/487050683.db2.gz XGKXBUNBNWSMHQ-IWSPIJDZSA-N 0 3 198.310 1.275 20 0 ADADHN CCC1(CNC(=O)CNC)CCCC1 226376382 487050699 /nfs/dbraw/zinc/05/06/99/487050699.db2.gz OCHFCNPVNYHXRX-UHFFFAOYSA-N 0 3 198.310 1.292 20 0 ADADHN CCCC1(CNC(=O)C2(N)CC2)CC1 226384775 487051602 /nfs/dbraw/zinc/05/16/02/487051602.db2.gz ALLWCHQQRNRKRS-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN COC[C@H]1CN(CC2CC2)C[C@H](C)O1 682221814 487051837 /nfs/dbraw/zinc/05/18/37/487051837.db2.gz OSPACGJTPJVMFX-GXSJLCMTSA-N 0 3 199.294 1.132 20 0 ADADHN COC[C@@H]1CN(CC2CC2)C[C@H](C)O1 682221817 487051956 /nfs/dbraw/zinc/05/19/56/487051956.db2.gz OSPACGJTPJVMFX-ONGXEEELSA-N 0 3 199.294 1.132 20 0 ADADHN COC[C@@H]1CN(CC2CC2)C[C@@H](C)O1 682221815 487052125 /nfs/dbraw/zinc/05/21/25/487052125.db2.gz OSPACGJTPJVMFX-KOLCDFICSA-N 0 3 199.294 1.132 20 0 ADADHN COC[C@H]1CN(CC2CC2)C[C@@H](C)O1 682221816 487052353 /nfs/dbraw/zinc/05/23/53/487052353.db2.gz OSPACGJTPJVMFX-MWLCHTKSSA-N 0 3 199.294 1.132 20 0 ADADHN Cc1cncc(CN(C)C[C@@H](C)O)c1 227301901 487054651 /nfs/dbraw/zinc/05/46/51/487054651.db2.gz LZZSEYFYMSZWQE-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN COCCNCc1ccsc1C 227790218 487055586 /nfs/dbraw/zinc/05/55/86/487055586.db2.gz CRUGUPHVOXMZGH-UHFFFAOYSA-N 0 3 185.292 1.793 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1C[C@H]1CC 228504344 487058377 /nfs/dbraw/zinc/05/83/77/487058377.db2.gz PNGUHJUYAAKWMW-JLIMGVALSA-N 0 3 198.310 1.275 20 0 ADADHN CCC[C@@H](N)c1cn(C(C)(C)C)nn1 229969221 487071427 /nfs/dbraw/zinc/07/14/27/487071427.db2.gz BSEYRHOVITYCCT-MRVPVSSYSA-N 0 3 196.298 1.833 20 0 ADADHN CC[C@H](O)CNCc1cncc(C)c1 228689747 487061392 /nfs/dbraw/zinc/06/13/92/487061392.db2.gz BXYNUGCJNLCECC-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@@H](O)CNCc1cncc(C)c1 228689737 487061466 /nfs/dbraw/zinc/06/14/66/487061466.db2.gz BXYNUGCJNLCECC-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN CCc1cccc(CN(C)CCO)c1 682518591 487061719 /nfs/dbraw/zinc/06/17/19/487061719.db2.gz MWPVEYIKVKYOCQ-UHFFFAOYSA-N 0 3 193.290 1.673 20 0 ADADHN CCCCN1CCCN(CC)C(=O)C1 682536634 487063205 /nfs/dbraw/zinc/06/32/05/487063205.db2.gz ZMYVCORCBSWSEN-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CC(C)=CCNC(=O)[C@@H](N)C(C)C 229063718 487063777 /nfs/dbraw/zinc/06/37/77/487063777.db2.gz OYGZSKOWRHYISN-VIFPVBQESA-N 0 3 184.283 1.052 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)CNC1CC1 229088552 487063916 /nfs/dbraw/zinc/06/39/16/487063916.db2.gz NMJMUIMDZZJZEB-PSASIEDQSA-N 0 3 196.294 1.043 20 0 ADADHN C[C@@]1(CO)CCCN1Cc1ccco1 682671400 487064856 /nfs/dbraw/zinc/06/48/56/487064856.db2.gz LUOTYHDNMCVLPV-NSHDSACASA-N 0 3 195.262 1.626 20 0 ADADHN CCCCCN1CCCNC(=O)[C@@H]1C 682650060 487065100 /nfs/dbraw/zinc/06/51/00/487065100.db2.gz REOZAYYMHGHBDM-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN C[C@]1(CO)CCCN1Cc1ccco1 682671399 487065244 /nfs/dbraw/zinc/06/52/44/487065244.db2.gz LUOTYHDNMCVLPV-LLVKDONJSA-N 0 3 195.262 1.626 20 0 ADADHN CCCN1CCCN(CCC)C(=O)C1 682649674 487065397 /nfs/dbraw/zinc/06/53/97/487065397.db2.gz OGHWJUZXSOFJHG-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)CCN1 229220670 487065558 /nfs/dbraw/zinc/06/55/58/487065558.db2.gz XNMMMCVQUKKNSP-LPEHRKFASA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CCN1 229220646 487065859 /nfs/dbraw/zinc/06/58/59/487065859.db2.gz XNMMMCVQUKKNSP-GUBZILKMSA-N 0 3 198.310 1.289 20 0 ADADHN CC(C)CCN1CCc2nn[nH]c2C1 682674745 487066356 /nfs/dbraw/zinc/06/63/56/487066356.db2.gz PJJRYDVGARDFML-UHFFFAOYSA-N 0 3 194.282 1.209 20 0 ADADHN CCCCCN1CCc2nn[nH]c2C1 682674752 487066722 /nfs/dbraw/zinc/06/67/22/487066722.db2.gz QFPWPXKCZKKHRB-UHFFFAOYSA-N 0 3 194.282 1.353 20 0 ADADHN CCCCCN1CCc2n[nH]nc2C1 682674752 487066725 /nfs/dbraw/zinc/06/67/25/487066725.db2.gz QFPWPXKCZKKHRB-UHFFFAOYSA-N 0 3 194.282 1.353 20 0 ADADHN COCCN(C)C[C@@H]1CC[C@@H](C)O1 682754978 487067225 /nfs/dbraw/zinc/06/72/25/487067225.db2.gz MGFWWBKKNVMDKQ-ZJUUUORDSA-N 0 3 187.283 1.132 20 0 ADADHN COCCN(C)C[C@H]1CC[C@H](C)O1 682754977 487067337 /nfs/dbraw/zinc/06/73/37/487067337.db2.gz MGFWWBKKNVMDKQ-VHSXEESVSA-N 0 3 187.283 1.132 20 0 ADADHN COCCN(C)C[C@@H]1CC[C@H](C)O1 682754975 487067563 /nfs/dbraw/zinc/06/75/63/487067563.db2.gz MGFWWBKKNVMDKQ-UWVGGRQHSA-N 0 3 187.283 1.132 20 0 ADADHN COCCN(C)C[C@H]1CC[C@@H](C)O1 682754973 487067634 /nfs/dbraw/zinc/06/76/34/487067634.db2.gz MGFWWBKKNVMDKQ-NXEZZACHSA-N 0 3 187.283 1.132 20 0 ADADHN CO[C@H]1CCN(C[C@@H]2CC[C@H](C)O2)C1 682760822 487068098 /nfs/dbraw/zinc/06/80/98/487068098.db2.gz QPAJJCKTQPHTIA-DCAQKATOSA-N 0 3 199.294 1.275 20 0 ADADHN C[C@H](O)CCCN(C)Cc1cn[nH]c1 682765689 487068253 /nfs/dbraw/zinc/06/82/53/487068253.db2.gz DUTKWLXMPLQZCC-VIFPVBQESA-N 0 3 197.282 1.003 20 0 ADADHN CO[C@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 682760824 487068595 /nfs/dbraw/zinc/06/85/95/487068595.db2.gz QPAJJCKTQPHTIA-OUAUKWLOSA-N 0 3 199.294 1.275 20 0 ADADHN C[C@@H](O)CCCN(C)Cc1cn[nH]c1 682765687 487068745 /nfs/dbraw/zinc/06/87/45/487068745.db2.gz DUTKWLXMPLQZCC-SECBINFHSA-N 0 3 197.282 1.003 20 0 ADADHN CO[C@H]1CCN(C[C@@H]2CC[C@@H](C)O2)C1 682760825 487068766 /nfs/dbraw/zinc/06/87/66/487068766.db2.gz QPAJJCKTQPHTIA-VWYCJHECSA-N 0 3 199.294 1.275 20 0 ADADHN CO[C@H]1CCN(C[C@H]2CC[C@H](C)O2)C1 682760823 487069030 /nfs/dbraw/zinc/06/90/30/487069030.db2.gz QPAJJCKTQPHTIA-GARJFASQSA-N 0 3 199.294 1.275 20 0 ADADHN CCC[C@H](N)c1cn(C(C)C)nn1 229954994 487069401 /nfs/dbraw/zinc/06/94/01/487069401.db2.gz UYGBOWCBLRXPNN-QMMMGPOBSA-N 0 3 182.271 1.659 20 0 ADADHN CCCn1cc([C@H](N)CC)nn1 229933627 487069435 /nfs/dbraw/zinc/06/94/35/487069435.db2.gz LCCRBYUUMNNXRS-SSDOTTSWSA-N 0 3 168.244 1.098 20 0 ADADHN CC[C@@H](N)c1cn(C(C)(C)C)nn1 229945083 487069478 /nfs/dbraw/zinc/06/94/78/487069478.db2.gz RIFHSZBCOKTTEY-SSDOTTSWSA-N 0 3 182.271 1.443 20 0 ADADHN CC[C@H](N)c1cn(C[C@H](C)CC)nn1 229936126 487069537 /nfs/dbraw/zinc/06/95/37/487069537.db2.gz QNTZFJJPFVWXNF-BDAKNGLRSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@H](C)Cn1cc([C@H](N)CC)nn1 229936139 487069552 /nfs/dbraw/zinc/06/95/52/487069552.db2.gz QNTZFJJPFVWXNF-DTWKUNHWSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@@H](N)c1cn(CC2CC2)nn1 229934731 487069617 /nfs/dbraw/zinc/06/96/17/487069617.db2.gz NOFXWWFGKOBPPU-MRVPVSSYSA-N 0 3 180.255 1.098 20 0 ADADHN CC[C@H](N)c1cn([C@H](C)CC)nn1 229935282 487069632 /nfs/dbraw/zinc/06/96/32/487069632.db2.gz HWRMNJGTHUXOFN-SFYZADRCSA-N 0 3 182.271 1.659 20 0 ADADHN CC[C@H](N)c1cn(CC2CC2)nn1 229934735 487069647 /nfs/dbraw/zinc/06/96/47/487069647.db2.gz NOFXWWFGKOBPPU-QMMMGPOBSA-N 0 3 180.255 1.098 20 0 ADADHN CC[C@H](N)c1cn(CCC2CC2)nn1 229937016 487069663 /nfs/dbraw/zinc/06/96/63/487069663.db2.gz CJLNORCWPOLKPT-VIFPVBQESA-N 0 3 194.282 1.488 20 0 ADADHN CCC[C@@H](N)c1cn(CCC)nn1 229953316 487069742 /nfs/dbraw/zinc/06/97/42/487069742.db2.gz QIMXUTQUPWTQIU-MRVPVSSYSA-N 0 3 182.271 1.488 20 0 ADADHN CC[C@H](N)c1cn([C@@H](C)CC)nn1 229935289 487069768 /nfs/dbraw/zinc/06/97/68/487069768.db2.gz HWRMNJGTHUXOFN-YUMQZZPRSA-N 0 3 182.271 1.659 20 0 ADADHN CCCCn1cc([C@@H](N)CC)nn1 229935212 487069781 /nfs/dbraw/zinc/06/97/81/487069781.db2.gz UBVCTTRZESLAER-QMMMGPOBSA-N 0 3 182.271 1.488 20 0 ADADHN CC[C@@H](C)Cn1cc([C@H](N)CC)nn1 229936134 487069799 /nfs/dbraw/zinc/06/97/99/487069799.db2.gz QNTZFJJPFVWXNF-RKDXNWHRSA-N 0 3 196.298 1.734 20 0 ADADHN CCC[C@H](N)c1cn(CCC)nn1 229953321 487069815 /nfs/dbraw/zinc/06/98/15/487069815.db2.gz QIMXUTQUPWTQIU-QMMMGPOBSA-N 0 3 182.271 1.488 20 0 ADADHN CCC[C@H](N)c1cn(CC(C)C)nn1 229953299 487069828 /nfs/dbraw/zinc/06/98/28/487069828.db2.gz PFWOGNGREUZCOZ-VIFPVBQESA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@H](N)c1cn(CC2CCC2)nn1 229948397 487069860 /nfs/dbraw/zinc/06/98/60/487069860.db2.gz DLFCVKMCBKAURB-VIFPVBQESA-N 0 3 194.282 1.488 20 0 ADADHN CC[C@H](C)n1cc([C@H](N)CC)nn1 229935299 487069911 /nfs/dbraw/zinc/06/99/11/487069911.db2.gz HWRMNJGTHUXOFN-JGVFFNPUSA-N 0 3 182.271 1.659 20 0 ADADHN CCC[C@@H](N)c1cn(CC(C)C)nn1 229953295 487069950 /nfs/dbraw/zinc/06/99/50/487069950.db2.gz PFWOGNGREUZCOZ-SECBINFHSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@@H](N)c1cn(CCC(C)C)nn1 229936306 487069964 /nfs/dbraw/zinc/06/99/64/487069964.db2.gz XUFBLFVDZBTTIN-SECBINFHSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@H](N)c1cn(C(C)(C)C)nn1 229945086 487069991 /nfs/dbraw/zinc/06/99/91/487069991.db2.gz RIFHSZBCOKTTEY-ZETCQYMHSA-N 0 3 182.271 1.443 20 0 ADADHN CC[C@H](C)Cn1cc([C@@H](N)CC)nn1 229936131 487070073 /nfs/dbraw/zinc/07/00/73/487070073.db2.gz QNTZFJJPFVWXNF-IUCAKERBSA-N 0 3 196.298 1.734 20 0 ADADHN CCn1ccc(CN(C)CCOC)c1 682777972 487070104 /nfs/dbraw/zinc/07/01/04/487070104.db2.gz OMTWNZNCJRZWRJ-UHFFFAOYSA-N 0 3 196.294 1.586 20 0 ADADHN CC[C@H](N)c1cn(CCC(C)C)nn1 229936310 487070106 /nfs/dbraw/zinc/07/01/06/487070106.db2.gz XUFBLFVDZBTTIN-VIFPVBQESA-N 0 3 196.298 1.734 20 0 ADADHN CCCCCn1cc([C@@H](N)CC)nn1 229935154 487070126 /nfs/dbraw/zinc/07/01/26/487070126.db2.gz BXWWHXACHMOXLT-VIFPVBQESA-N 0 3 196.298 1.878 20 0 ADADHN CCC[C@H](N)c1cn(CC2CC2)nn1 229954690 487070157 /nfs/dbraw/zinc/07/01/57/487070157.db2.gz XLVLGLFGSNWICV-VIFPVBQESA-N 0 3 194.282 1.488 20 0 ADADHN CC[C@@H](N)c1cn(CCC2CC2)nn1 229937012 487070177 /nfs/dbraw/zinc/07/01/77/487070177.db2.gz CJLNORCWPOLKPT-SECBINFHSA-N 0 3 194.282 1.488 20 0 ADADHN CCCCn1cc([C@H](N)CCC)nn1 229956194 487070196 /nfs/dbraw/zinc/07/01/96/487070196.db2.gz OIBOUXSGDWMBQM-SECBINFHSA-N 0 3 196.298 1.878 20 0 ADADHN CC[C@@H](N)c1cn(CCCF)nn1 229948691 487070213 /nfs/dbraw/zinc/07/02/13/487070213.db2.gz ZYVFXOOHXUNTMO-SSDOTTSWSA-N 0 3 186.234 1.048 20 0 ADADHN CC[C@@H](N)c1cn(CC2CCC2)nn1 229948393 487070229 /nfs/dbraw/zinc/07/02/29/487070229.db2.gz DLFCVKMCBKAURB-SECBINFHSA-N 0 3 194.282 1.488 20 0 ADADHN CC[C@@H](O)CNCc1cncs1 229962752 487070252 /nfs/dbraw/zinc/07/02/52/487070252.db2.gz VECYTSADLVHSBR-SSDOTTSWSA-N 0 3 186.280 1.004 20 0 ADADHN CCC[C@H](N)c1cn(CCF)nn1 229957756 487070289 /nfs/dbraw/zinc/07/02/89/487070289.db2.gz MFADQZIILPRDBL-ZETCQYMHSA-N 0 3 186.234 1.048 20 0 ADADHN CC[C@H](N)c1cn(CC(C)C)nn1 229933573 487070333 /nfs/dbraw/zinc/07/03/33/487070333.db2.gz WIYZFRRPBMPPJX-QMMMGPOBSA-N 0 3 182.271 1.344 20 0 ADADHN CCC[C@H](N)c1cn(CC)nn1 229955976 487070307 /nfs/dbraw/zinc/07/03/07/487070307.db2.gz BZIFTXNFQHFMNF-ZETCQYMHSA-N 0 3 168.244 1.098 20 0 ADADHN CC[C@@H](N)c1cn(CC(C)C)nn1 229933568 487070312 /nfs/dbraw/zinc/07/03/12/487070312.db2.gz WIYZFRRPBMPPJX-MRVPVSSYSA-N 0 3 182.271 1.344 20 0 ADADHN CCCCn1cc([C@@H](N)CCC)nn1 229956186 487070337 /nfs/dbraw/zinc/07/03/37/487070337.db2.gz OIBOUXSGDWMBQM-VIFPVBQESA-N 0 3 196.298 1.878 20 0 ADADHN CCCCn1cc([C@H](N)CC)nn1 229935215 487070344 /nfs/dbraw/zinc/07/03/44/487070344.db2.gz UBVCTTRZESLAER-MRVPVSSYSA-N 0 3 182.271 1.488 20 0 ADADHN CCCCCn1cc([C@H](N)CC)nn1 229935160 487070355 /nfs/dbraw/zinc/07/03/55/487070355.db2.gz BXWWHXACHMOXLT-SECBINFHSA-N 0 3 196.298 1.878 20 0 ADADHN CC[C@@H](N)c1cn([C@H](C)CC)nn1 229935292 487070362 /nfs/dbraw/zinc/07/03/62/487070362.db2.gz HWRMNJGTHUXOFN-HTQZYQBOSA-N 0 3 182.271 1.659 20 0 ADADHN CCC[C@@H](N)c1cn(CCF)nn1 229957748 487070392 /nfs/dbraw/zinc/07/03/92/487070392.db2.gz MFADQZIILPRDBL-SSDOTTSWSA-N 0 3 186.234 1.048 20 0 ADADHN CCC[C@@H](N)c1cn(CC)nn1 229955965 487070408 /nfs/dbraw/zinc/07/04/08/487070408.db2.gz BZIFTXNFQHFMNF-SSDOTTSWSA-N 0 3 168.244 1.098 20 0 ADADHN CCC[C@@H](N)c1cn(C(C)C)nn1 229954991 487070433 /nfs/dbraw/zinc/07/04/33/487070433.db2.gz UYGBOWCBLRXPNN-MRVPVSSYSA-N 0 3 182.271 1.659 20 0 ADADHN CCC[C@@H](N)c1cn(CC2CC2)nn1 229954684 487070439 /nfs/dbraw/zinc/07/04/39/487070439.db2.gz XLVLGLFGSNWICV-SECBINFHSA-N 0 3 194.282 1.488 20 0 ADADHN CC[C@H](N)c1cn(CCCF)nn1 229948693 487070455 /nfs/dbraw/zinc/07/04/55/487070455.db2.gz ZYVFXOOHXUNTMO-ZETCQYMHSA-N 0 3 186.234 1.048 20 0 ADADHN CCN(CC(N)=O)C[C@@H]1CC=CCC1 682790629 487070725 /nfs/dbraw/zinc/07/07/25/487070725.db2.gz INXGRVNLKPNYPD-SNVBAGLBSA-N 0 3 196.294 1.150 20 0 ADADHN CCN(CC(N)=O)CC1CCCCC1 682778378 487070919 /nfs/dbraw/zinc/07/09/19/487070919.db2.gz DJAVXANRKCCAIS-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CC[C@H](O)CNCc1occc1C 229964892 487070922 /nfs/dbraw/zinc/07/09/22/487070922.db2.gz HYNQCIRARCTGEI-VIFPVBQESA-N 0 3 183.251 1.449 20 0 ADADHN CCN(CCC1CCCC1)CC(N)=O 682778766 487070973 /nfs/dbraw/zinc/07/09/73/487070973.db2.gz PZCDMMWOPYZLFB-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CC[C@H](O)CNCc1cncs1 229962758 487071173 /nfs/dbraw/zinc/07/11/73/487071173.db2.gz VECYTSADLVHSBR-ZETCQYMHSA-N 0 3 186.280 1.004 20 0 ADADHN CCN(CC(N)=O)C[C@H]1CC=CCC1 682790628 487071221 /nfs/dbraw/zinc/07/12/21/487071221.db2.gz INXGRVNLKPNYPD-JTQLQIEISA-N 0 3 196.294 1.150 20 0 ADADHN CC[C@@H](O)CNCc1occc1C 229964885 487071291 /nfs/dbraw/zinc/07/12/91/487071291.db2.gz HYNQCIRARCTGEI-SECBINFHSA-N 0 3 183.251 1.449 20 0 ADADHN CC[C@H](O)CNCc1cccc(O)c1 229965449 487071319 /nfs/dbraw/zinc/07/13/19/487071319.db2.gz WMAWYABKKJFDMT-JTQLQIEISA-N 0 3 195.262 1.253 20 0 ADADHN CCC[C@H](N)c1cn(C(C)(C)C)nn1 229969226 487071476 /nfs/dbraw/zinc/07/14/76/487071476.db2.gz BSEYRHOVITYCCT-QMMMGPOBSA-N 0 3 196.298 1.833 20 0 ADADHN CC[C@@H](O)CNCc1cccc(O)c1 229965444 487071509 /nfs/dbraw/zinc/07/15/09/487071509.db2.gz WMAWYABKKJFDMT-SNVBAGLBSA-N 0 3 195.262 1.253 20 0 ADADHN CC[C@H](O)CNCc1ccc(C)cn1 229970028 487071775 /nfs/dbraw/zinc/07/17/75/487071775.db2.gz RVGIUCPFDHEYJE-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@H](O)CNCc1cnccc1C 229969439 487071792 /nfs/dbraw/zinc/07/17/92/487071792.db2.gz FWDNSQGJXCGKOA-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@@H](O)CNCc1ccc(C)cn1 229970025 487072124 /nfs/dbraw/zinc/07/21/24/487072124.db2.gz RVGIUCPFDHEYJE-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN CCc1ccc(CNC[C@H](O)CC)o1 229970804 487072445 /nfs/dbraw/zinc/07/24/45/487072445.db2.gz KGNLGMONVVGROZ-SECBINFHSA-N 0 3 197.278 1.703 20 0 ADADHN CC[C@@H](O)CNCc1cnccc1C 229969435 487072462 /nfs/dbraw/zinc/07/24/62/487072462.db2.gz FWDNSQGJXCGKOA-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN CCc1ccc(CNC[C@@H](O)CC)o1 229970810 487072524 /nfs/dbraw/zinc/07/25/24/487072524.db2.gz KGNLGMONVVGROZ-VIFPVBQESA-N 0 3 197.278 1.703 20 0 ADADHN CC[C@@H](O)CN1CC(C)(C)C1 230027765 487073258 /nfs/dbraw/zinc/07/32/58/487073258.db2.gz LMOKBIJDTMRNET-MRVPVSSYSA-N 0 3 157.257 1.099 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1cnn(C)c1 230640004 487074157 /nfs/dbraw/zinc/07/41/57/487074157.db2.gz OESUSWOPAYBTAY-BDAKNGLRSA-N 0 3 197.282 1.106 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1cnn(C)c1 230639999 487074195 /nfs/dbraw/zinc/07/41/95/487074195.db2.gz OESUSWOPAYBTAY-IUCAKERBSA-N 0 3 197.282 1.106 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1ccoc1 230647968 487074231 /nfs/dbraw/zinc/07/42/31/487074231.db2.gz UTJDJSKNARYZNB-DTWKUNHWSA-N 0 3 183.251 1.965 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1ccoc1 230647964 487074308 /nfs/dbraw/zinc/07/43/08/487074308.db2.gz UTJDJSKNARYZNB-BDAKNGLRSA-N 0 3 183.251 1.965 20 0 ADADHN CCN(CC(C)=O)CC1CCC1 230324404 487074347 /nfs/dbraw/zinc/07/43/47/487074347.db2.gz UQTUYDLRMASUED-UHFFFAOYSA-N 0 3 169.268 1.697 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1cnn(C)c1 230640012 487074414 /nfs/dbraw/zinc/07/44/14/487074414.db2.gz OESUSWOPAYBTAY-DTWKUNHWSA-N 0 3 197.282 1.106 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1cnn(C)c1 230640018 487074591 /nfs/dbraw/zinc/07/45/91/487074591.db2.gz OESUSWOPAYBTAY-RKDXNWHRSA-N 0 3 197.282 1.106 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1ccoc1 230647958 487074732 /nfs/dbraw/zinc/07/47/32/487074732.db2.gz UTJDJSKNARYZNB-IUCAKERBSA-N 0 3 183.251 1.965 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1ccoc1 230647974 487074768 /nfs/dbraw/zinc/07/47/68/487074768.db2.gz UTJDJSKNARYZNB-RKDXNWHRSA-N 0 3 183.251 1.965 20 0 ADADHN CCN(CC)CC(=O)NCC=C(C)C 682953117 487075866 /nfs/dbraw/zinc/07/58/66/487075866.db2.gz ZQPOGNBAMQLGGW-UHFFFAOYSA-N 0 3 198.310 1.411 20 0 ADADHN CC[C@@H](C(=O)NCC=C(C)C)N(C)C 682952902 487075919 /nfs/dbraw/zinc/07/59/19/487075919.db2.gz PLURHSHETOYOSG-JTQLQIEISA-N 0 3 198.310 1.409 20 0 ADADHN CCCN(C)CC(=O)NCC=C(C)C 682953544 487075971 /nfs/dbraw/zinc/07/59/71/487075971.db2.gz KIMVSGXQNCZPNF-UHFFFAOYSA-N 0 3 198.310 1.411 20 0 ADADHN CC(C)=CCNC(=O)CN(C)C(C)C 682952797 487076022 /nfs/dbraw/zinc/07/60/22/487076022.db2.gz HNDOAJSDKQYABZ-UHFFFAOYSA-N 0 3 198.310 1.409 20 0 ADADHN CC[C@H](C(=O)NCC=C(C)C)N(C)C 682952903 487076053 /nfs/dbraw/zinc/07/60/53/487076053.db2.gz PLURHSHETOYOSG-SNVBAGLBSA-N 0 3 198.310 1.409 20 0 ADADHN C[C@H](NC[C@@H]1CCCO1)c1cn[nH]c1 230937260 487076291 /nfs/dbraw/zinc/07/62/91/487076291.db2.gz QHPNOHQHCDLALY-WPRPVWTQSA-N 0 3 195.266 1.239 20 0 ADADHN C[C@@H](NC[C@@H]1CCCO1)c1cn[nH]c1 230937256 487076484 /nfs/dbraw/zinc/07/64/84/487076484.db2.gz QHPNOHQHCDLALY-SCZZXKLOSA-N 0 3 195.266 1.239 20 0 ADADHN C[C@@H](NC[C@H]1CCCO1)c1cn[nH]c1 230937263 487076730 /nfs/dbraw/zinc/07/67/30/487076730.db2.gz QHPNOHQHCDLALY-PSASIEDQSA-N 0 3 195.266 1.239 20 0 ADADHN C[C@H](NC[C@H]1CCCO1)c1cn[nH]c1 230937266 487076744 /nfs/dbraw/zinc/07/67/44/487076744.db2.gz QHPNOHQHCDLALY-WCBMZHEXSA-N 0 3 195.266 1.239 20 0 ADADHN CCn1ccc(CN(C)CCCO)c1 683028504 487077644 /nfs/dbraw/zinc/07/76/44/487077644.db2.gz DLMUHOPYFASYPL-UHFFFAOYSA-N 0 3 196.294 1.322 20 0 ADADHN CCCN1CCN(C[C@H]2C[C@@H]2C)CC1 683106546 487078770 /nfs/dbraw/zinc/07/87/70/487078770.db2.gz ANAOFBNDWOWPJD-NWDGAFQWSA-N 0 3 196.338 1.670 20 0 ADADHN CCCN1CCN(C[C@@H]2C[C@H]2C)CC1 683106545 487078985 /nfs/dbraw/zinc/07/89/85/487078985.db2.gz ANAOFBNDWOWPJD-NEPJUHHUSA-N 0 3 196.338 1.670 20 0 ADADHN CCCN1CCN(C[C@@H]2C[C@@H]2C)CC1 683106547 487079062 /nfs/dbraw/zinc/07/90/62/487079062.db2.gz ANAOFBNDWOWPJD-RYUDHWBXSA-N 0 3 196.338 1.670 20 0 ADADHN CCCN1CCN(C[C@H]2C[C@H]2C)CC1 683106548 487079128 /nfs/dbraw/zinc/07/91/28/487079128.db2.gz ANAOFBNDWOWPJD-VXGBXAGGSA-N 0 3 196.338 1.670 20 0 ADADHN C[C@H](CC1CC1)NCc1ccno1 231884083 487079570 /nfs/dbraw/zinc/07/95/70/487079570.db2.gz RCWPSLFQODYJSA-MRVPVSSYSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@@H](CC1CC1)NCc1ccno1 231884080 487079602 /nfs/dbraw/zinc/07/96/02/487079602.db2.gz RCWPSLFQODYJSA-QMMMGPOBSA-N 0 3 180.251 1.953 20 0 ADADHN CC[C@H](C)CNCc1ccno1 231884914 487079703 /nfs/dbraw/zinc/07/97/03/487079703.db2.gz NUBCKPKUZPOPKU-QMMMGPOBSA-N 0 3 168.240 1.810 20 0 ADADHN c1cc(CNC[C@@H]2CCSC2)on1 231885289 487079714 /nfs/dbraw/zinc/07/97/14/487079714.db2.gz CZOLVBXRQSBVJO-QMMMGPOBSA-N 0 3 198.291 1.517 20 0 ADADHN CC[C@@H](C)CNCc1ccno1 231884911 487079728 /nfs/dbraw/zinc/07/97/28/487079728.db2.gz NUBCKPKUZPOPKU-MRVPVSSYSA-N 0 3 168.240 1.810 20 0 ADADHN c1cc(CNC[C@H]2CCSC2)on1 231885290 487079755 /nfs/dbraw/zinc/07/97/55/487079755.db2.gz CZOLVBXRQSBVJO-MRVPVSSYSA-N 0 3 198.291 1.517 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCc2c[nH]nc2C1 683108612 487079871 /nfs/dbraw/zinc/07/98/71/487079871.db2.gz FPZCJPOSANKUGT-PSASIEDQSA-N 0 3 191.278 1.424 20 0 ADADHN CCN(CC(=O)N(C)C)C[C@H]1C[C@H]1C 683108778 487079912 /nfs/dbraw/zinc/07/99/12/487079912.db2.gz CWJRPBBGDNVTQM-NXEZZACHSA-N 0 3 198.310 1.053 20 0 ADADHN CC[C@H](NCc1ccno1)C1CC1 231883745 487079941 /nfs/dbraw/zinc/07/99/41/487079941.db2.gz FOYDSVSCFDFNKC-JTQLQIEISA-N 0 3 180.251 1.953 20 0 ADADHN CCN(CC(=O)N(C)C)C[C@H]1C[C@@H]1C 683108780 487080028 /nfs/dbraw/zinc/08/00/28/487080028.db2.gz CWJRPBBGDNVTQM-VHSXEESVSA-N 0 3 198.310 1.053 20 0 ADADHN COCC[C@@H](C)NCc1ccno1 231881484 487080139 /nfs/dbraw/zinc/08/01/39/487080139.db2.gz KDUSEQAXZOXKPX-MRVPVSSYSA-N 0 3 184.239 1.189 20 0 ADADHN COCC[C@H](C)NCc1ccno1 231881486 487080190 /nfs/dbraw/zinc/08/01/90/487080190.db2.gz KDUSEQAXZOXKPX-QMMMGPOBSA-N 0 3 184.239 1.189 20 0 ADADHN CC[C@@H](NCc1ccno1)C1CC1 231883742 487080245 /nfs/dbraw/zinc/08/02/45/487080245.db2.gz FOYDSVSCFDFNKC-SNVBAGLBSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCc2c[nH]nc2C1 683108614 487080316 /nfs/dbraw/zinc/08/03/16/487080316.db2.gz FPZCJPOSANKUGT-SCZZXKLOSA-N 0 3 191.278 1.424 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCc2c[nH]nc2C1 683108615 487080357 /nfs/dbraw/zinc/08/03/57/487080357.db2.gz FPZCJPOSANKUGT-WCBMZHEXSA-N 0 3 191.278 1.424 20 0 ADADHN CCN(CC(=O)N(C)C)C[C@@H]1C[C@@H]1C 683108779 487080288 /nfs/dbraw/zinc/08/02/88/487080288.db2.gz CWJRPBBGDNVTQM-UWVGGRQHSA-N 0 3 198.310 1.053 20 0 ADADHN C[C@H]1C[C@H]1CN1CCc2c[nH]nc2C1 683108616 487080464 /nfs/dbraw/zinc/08/04/64/487080464.db2.gz FPZCJPOSANKUGT-WPRPVWTQSA-N 0 3 191.278 1.424 20 0 ADADHN C[C@H]1CC[C@@H](CN2CCC[C@@H](O)C2)O1 232030576 487080930 /nfs/dbraw/zinc/08/09/30/487080930.db2.gz RPFPIWNENJAAKZ-AXFHLTTASA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CC[C@H](CN2CCC[C@@H](O)C2)O1 232030583 487081243 /nfs/dbraw/zinc/08/12/43/487081243.db2.gz RPFPIWNENJAAKZ-HBNTYKKESA-N 0 3 199.294 1.011 20 0 ADADHN CC(C)NC(=O)CN(C)C[C@@H]1C[C@H]1C 683109785 487081263 /nfs/dbraw/zinc/08/12/63/487081263.db2.gz JQTPHWPKVWJEAZ-ZJUUUORDSA-N 0 3 198.310 1.099 20 0 ADADHN CCN(CC(=O)N(C)C)C[C@@H]1C[C@H]1C 683108782 487081311 /nfs/dbraw/zinc/08/13/11/487081311.db2.gz CWJRPBBGDNVTQM-ZJUUUORDSA-N 0 3 198.310 1.053 20 0 ADADHN CC(C)NC(=O)CN(C)C[C@@H]1C[C@@H]1C 683109782 487081353 /nfs/dbraw/zinc/08/13/53/487081353.db2.gz JQTPHWPKVWJEAZ-UWVGGRQHSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)NC(=O)CN(C)C[C@H]1C[C@H]1C 683109776 487081381 /nfs/dbraw/zinc/08/13/81/487081381.db2.gz JQTPHWPKVWJEAZ-NXEZZACHSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)NC(=O)CN(C)C[C@H]1C[C@@H]1C 683109784 487081602 /nfs/dbraw/zinc/08/16/02/487081602.db2.gz JQTPHWPKVWJEAZ-VHSXEESVSA-N 0 3 198.310 1.099 20 0 ADADHN CCCN(CC(=O)NC)C[C@H]1C[C@H]1C 683110787 487082173 /nfs/dbraw/zinc/08/21/73/487082173.db2.gz PJMFUCLRCZXYQQ-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CCNC(=O)CN(CC)C[C@H]1C[C@@H]1C 683110820 487082227 /nfs/dbraw/zinc/08/22/27/487082227.db2.gz PTAGYQUMKFFRFI-VHSXEESVSA-N 0 3 198.310 1.100 20 0 ADADHN CC(C)CN(CC(N)=O)C[C@H]1C[C@H]1C 683111135 487082255 /nfs/dbraw/zinc/08/22/55/487082255.db2.gz QTWHENIVUBMCFS-NXEZZACHSA-N 0 3 198.310 1.086 20 0 ADADHN CC(C)CN(CC(N)=O)C[C@@H]1C[C@@H]1C 683111136 487082273 /nfs/dbraw/zinc/08/22/73/487082273.db2.gz QTWHENIVUBMCFS-UWVGGRQHSA-N 0 3 198.310 1.086 20 0 ADADHN CC(C)CN(CC(N)=O)C[C@H]1C[C@@H]1C 683111137 487082282 /nfs/dbraw/zinc/08/22/82/487082282.db2.gz QTWHENIVUBMCFS-VHSXEESVSA-N 0 3 198.310 1.086 20 0 ADADHN CCNC(=O)CN(CC)C[C@@H]1C[C@@H]1C 683110818 487082455 /nfs/dbraw/zinc/08/24/55/487082455.db2.gz PTAGYQUMKFFRFI-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN CCCN(CC(=O)NC)C[C@H]1C[C@@H]1C 683110789 487082617 /nfs/dbraw/zinc/08/26/17/487082617.db2.gz PJMFUCLRCZXYQQ-VHSXEESVSA-N 0 3 198.310 1.100 20 0 ADADHN CCCN(CC(=O)NC)C[C@@H]1C[C@@H]1C 683110788 487082690 /nfs/dbraw/zinc/08/26/90/487082690.db2.gz PJMFUCLRCZXYQQ-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN CCNC(=O)CN(CC)C[C@H]1C[C@H]1C 683110816 487082878 /nfs/dbraw/zinc/08/28/78/487082878.db2.gz PTAGYQUMKFFRFI-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CC(C)CN(CC(N)=O)C[C@@H]1C[C@H]1C 683111138 487083087 /nfs/dbraw/zinc/08/30/87/487083087.db2.gz QTWHENIVUBMCFS-ZJUUUORDSA-N 0 3 198.310 1.086 20 0 ADADHN CCNC(=O)CN(CC)C[C@@H]1C[C@H]1C 683110821 487083132 /nfs/dbraw/zinc/08/31/32/487083132.db2.gz PTAGYQUMKFFRFI-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN CCCN(CC(=O)NC)C[C@@H]1C[C@H]1C 683110790 487083310 /nfs/dbraw/zinc/08/33/10/487083310.db2.gz PJMFUCLRCZXYQQ-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN CCCCN(CC(N)=O)C[C@H]1C[C@H]1C 683111844 487083691 /nfs/dbraw/zinc/08/36/91/487083691.db2.gz VCJMXPSGKYFXSP-NXEZZACHSA-N 0 3 198.310 1.230 20 0 ADADHN CCCCN(CC(N)=O)C[C@@H]1C[C@@H]1C 683111845 487083793 /nfs/dbraw/zinc/08/37/93/487083793.db2.gz VCJMXPSGKYFXSP-UWVGGRQHSA-N 0 3 198.310 1.230 20 0 ADADHN CCCCN(CC(N)=O)C[C@@H]1C[C@H]1C 683111847 487084317 /nfs/dbraw/zinc/08/43/17/487084317.db2.gz VCJMXPSGKYFXSP-ZJUUUORDSA-N 0 3 198.310 1.230 20 0 ADADHN CCCCN(CC(N)=O)C[C@H]1C[C@@H]1C 683111846 487084339 /nfs/dbraw/zinc/08/43/39/487084339.db2.gz VCJMXPSGKYFXSP-VHSXEESVSA-N 0 3 198.310 1.230 20 0 ADADHN CC(C)NCC(=O)NC[C@@H]1CC1(C)C 232664928 487084449 /nfs/dbraw/zinc/08/44/49/487084449.db2.gz UWQXKOPQZOGORZ-VIFPVBQESA-N 0 3 198.310 1.147 20 0 ADADHN CC(C)NCC(=O)NC[C@H]1CC1(C)C 232665430 487084707 /nfs/dbraw/zinc/08/47/07/487084707.db2.gz UWQXKOPQZOGORZ-SECBINFHSA-N 0 3 198.310 1.147 20 0 ADADHN CCC(=O)CCCN1CCC[C@H](O)C1 232856936 487085359 /nfs/dbraw/zinc/08/53/59/487085359.db2.gz KCRUAGNLLHVMFN-NSHDSACASA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCCN1CCCOCC1 232854196 487085396 /nfs/dbraw/zinc/08/53/96/487085396.db2.gz LPLMTOKVYMJUHC-UHFFFAOYSA-N 0 3 199.294 1.468 20 0 ADADHN CCC(=O)CCCN1CC[C@](C)(O)C1 232864150 487085482 /nfs/dbraw/zinc/08/54/82/487085482.db2.gz KVDSTIUBGBZEJO-NSHDSACASA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCCN1CC[C@H](OC)C1 232863978 487085653 /nfs/dbraw/zinc/08/56/53/487085653.db2.gz MNSBSYQVDFPYOO-NSHDSACASA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCCN(C)[C@@H]1CCOC1 232843398 487085768 /nfs/dbraw/zinc/08/57/68/487085768.db2.gz FCWBUBJQJFCQLJ-SNVBAGLBSA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCCN(C)[C@H]1CCOC1 232844289 487085796 /nfs/dbraw/zinc/08/57/96/487085796.db2.gz FCWBUBJQJFCQLJ-JTQLQIEISA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCCN1CCC[C@@H](O)C1 232855511 487085895 /nfs/dbraw/zinc/08/58/95/487085895.db2.gz KCRUAGNLLHVMFN-LLVKDONJSA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCCN1CC[C@@](C)(O)C1 232862994 487086054 /nfs/dbraw/zinc/08/60/54/487086054.db2.gz KVDSTIUBGBZEJO-LLVKDONJSA-N 0 3 199.294 1.202 20 0 ADADHN C=Cn1cc(CN[C@H]2CC2(C)C)cn1 232789714 487086144 /nfs/dbraw/zinc/08/61/44/487086144.db2.gz KBXXBJKAYAYNNI-JTQLQIEISA-N 0 3 191.278 1.872 20 0 ADADHN CCC(=O)CCCN(C)CCOC 232838707 487086127 /nfs/dbraw/zinc/08/61/27/487086127.db2.gz JYQMOVSSVLTGIX-UHFFFAOYSA-N 0 3 187.283 1.324 20 0 ADADHN CC(C)=CCN1CCc2n[nH]nc2C1 683222313 487086960 /nfs/dbraw/zinc/08/69/60/487086960.db2.gz HKHXRWMILBLGRQ-UHFFFAOYSA-N 0 3 192.266 1.129 20 0 ADADHN CCCC1(CNC(=O)[C@H](C)NC)CC1 232934485 487087036 /nfs/dbraw/zinc/08/70/36/487087036.db2.gz LTTSIOCEZUEDKK-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CCC1(CNC(=O)[C@H](C)NC)CCC1 232934224 487087084 /nfs/dbraw/zinc/08/70/84/487087084.db2.gz JPEKIEDSQUHJGM-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CN(C)CCN(C)C(=O)CC1(C)CC1 683245854 487087101 /nfs/dbraw/zinc/08/71/01/487087101.db2.gz AWIFDQTXNJCEHK-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN C1CCC(N2CCc3nn[nH]c3C2)C1 683222328 487087430 /nfs/dbraw/zinc/08/74/30/487087430.db2.gz HUSZBWSLSTVENE-UHFFFAOYSA-N 0 3 192.266 1.105 20 0 ADADHN C1CCC(N2CCc3n[nH]nc3C2)C1 683222328 487087434 /nfs/dbraw/zinc/08/74/34/487087434.db2.gz HUSZBWSLSTVENE-UHFFFAOYSA-N 0 3 192.266 1.105 20 0 ADADHN C[C@H](CNC(=O)CC1(C)CC1)N(C)C 683233772 487087462 /nfs/dbraw/zinc/08/74/62/487087462.db2.gz UPZNHYYRPFCQOP-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCC1(CNC(=O)C2(N)CCC2)CC1 232982001 487087971 /nfs/dbraw/zinc/08/79/71/487087971.db2.gz NNBVIJNJXSVJEW-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)CNC(C)C 233301648 487090171 /nfs/dbraw/zinc/09/01/71/487090171.db2.gz HYAYNTAKULTTMJ-NXEZZACHSA-N 0 3 198.310 1.289 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)[C@H](N)C(C)C 233303615 487090360 /nfs/dbraw/zinc/09/03/60/487090360.db2.gz SOKBADFIWYCHEP-OPRDCNLKSA-N 0 3 198.310 1.275 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)C1(N)CCC1 233301430 487090463 /nfs/dbraw/zinc/09/04/63/487090463.db2.gz OHEJZPPETPHDRG-RKDXNWHRSA-N 0 3 196.294 1.173 20 0 ADADHN CN(CCO[C@H]1CCCCO1)C1CC1 683518074 487092191 /nfs/dbraw/zinc/09/21/91/487092191.db2.gz AGQJYSNBCSKZRH-NSHDSACASA-N 0 3 199.294 1.624 20 0 ADADHN CCOCC[C@@H](O)CN1CC=CCC1 683523266 487092287 /nfs/dbraw/zinc/09/22/87/487092287.db2.gz JYZJWZZTPFCVJE-LLVKDONJSA-N 0 3 199.294 1.036 20 0 ADADHN CN(CCO[C@@H]1CCCCO1)C1CC1 683518073 487092380 /nfs/dbraw/zinc/09/23/80/487092380.db2.gz AGQJYSNBCSKZRH-LLVKDONJSA-N 0 3 199.294 1.624 20 0 ADADHN CC1(CN2CCc3cn[nH]c3C2)CC1 683830946 487099937 /nfs/dbraw/zinc/09/99/37/487099937.db2.gz ARGHRLISWUOFJQ-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN CCOCC[C@H](O)CN1CC=CCC1 683523267 487092900 /nfs/dbraw/zinc/09/29/00/487092900.db2.gz JYZJWZZTPFCVJE-NSHDSACASA-N 0 3 199.294 1.036 20 0 ADADHN CNC(=O)CN(CC1CCC1)C(C)C 683528186 487093909 /nfs/dbraw/zinc/09/39/09/487093909.db2.gz XGBJQWKMVXKXFD-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@H](N)CC(C)C 233942360 487094080 /nfs/dbraw/zinc/09/40/80/487094080.db2.gz HBLKSGFHBSCZQA-OPRDCNLKSA-N 0 3 198.310 1.275 20 0 ADADHN C=Cn1cc(CN(CC)C2CC2)cn1 683696755 487094446 /nfs/dbraw/zinc/09/44/46/487094446.db2.gz UWBUMRGGKWQWOK-UHFFFAOYSA-N 0 3 191.278 1.968 20 0 ADADHN C=Cn1cc(CN(C)C2CCC2)cn1 683698702 487094483 /nfs/dbraw/zinc/09/44/83/487094483.db2.gz KONBBJNYJQIRAN-UHFFFAOYSA-N 0 3 191.278 1.968 20 0 ADADHN CCn1cncc1CNCC1(C)CC1 234196672 487094585 /nfs/dbraw/zinc/09/45/85/487094585.db2.gz WKJGGFZERRHQPD-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1ccnn1C 234699625 487097948 /nfs/dbraw/zinc/09/79/48/487097948.db2.gz DREHZPSHLNRNIK-IUCAKERBSA-N 0 3 197.282 1.106 20 0 ADADHN C=Cn1cc(CN[C@@H](C)COC)cn1 234697121 487097986 /nfs/dbraw/zinc/09/79/86/487097986.db2.gz LIJCKKVDTFLTOD-VIFPVBQESA-N 0 3 195.266 1.108 20 0 ADADHN COC[C@H](C)N[C@H](C)c1ccnn1C 234701091 487098181 /nfs/dbraw/zinc/09/81/81/487098181.db2.gz DREHZPSHLNRNIK-DTWKUNHWSA-N 0 3 197.282 1.106 20 0 ADADHN C=Cn1cc(CNC[C@H](C)OC)cn1 234738623 487098244 /nfs/dbraw/zinc/09/82/44/487098244.db2.gz ISFSZSOJLIQWNS-VIFPVBQESA-N 0 3 195.266 1.108 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1ccnn1C 234742043 487098518 /nfs/dbraw/zinc/09/85/18/487098518.db2.gz AMGBVONQYHHFFA-IUCAKERBSA-N 0 3 197.282 1.106 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1ccnn1C 234745773 487098527 /nfs/dbraw/zinc/09/85/27/487098527.db2.gz AMGBVONQYHHFFA-DTWKUNHWSA-N 0 3 197.282 1.106 20 0 ADADHN CC(C)N1CCN(CC2(C)CC2)CC1 683825181 487098664 /nfs/dbraw/zinc/09/86/64/487098664.db2.gz WRPPWHXPTJGMFR-UHFFFAOYSA-N 0 3 196.338 1.813 20 0 ADADHN CCCN1CCN(CC2(C)CC2)CC1 683823825 487098706 /nfs/dbraw/zinc/09/87/06/487098706.db2.gz SNTRUEMLFSLWOK-UHFFFAOYSA-N 0 3 196.338 1.814 20 0 ADADHN CCCNC(=O)[C@@H]1CCCN1C1CC1 683812553 487098767 /nfs/dbraw/zinc/09/87/67/487098767.db2.gz APDVNARJBNVUDQ-JTQLQIEISA-N 0 3 196.294 1.139 20 0 ADADHN CCNC(=O)CN(CC)CC1(C)CC1 683825663 487099077 /nfs/dbraw/zinc/09/90/77/487099077.db2.gz NBFMFABUIXINPA-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCCNC(=O)[C@H]1CCCN1C1CC1 683812554 487099141 /nfs/dbraw/zinc/09/91/41/487099141.db2.gz APDVNARJBNVUDQ-SNVBAGLBSA-N 0 3 196.294 1.139 20 0 ADADHN CCN(CC(=O)N(C)C)CC1(C)CC1 683825805 487099190 /nfs/dbraw/zinc/09/91/90/487099190.db2.gz YGKJNHBBGIDWBG-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CO[C@@H]1C[C@H](NCCF)C1(C)C 234858678 487099211 /nfs/dbraw/zinc/09/92/11/487099211.db2.gz MFRYETVEIWNEJY-JGVFFNPUSA-N 0 3 175.247 1.359 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1ccnn1C 234779190 487099343 /nfs/dbraw/zinc/09/93/43/487099343.db2.gz AMGBVONQYHHFFA-BDAKNGLRSA-N 0 3 197.282 1.106 20 0 ADADHN CO[C@H]1C[C@H](NCCF)C1(C)C 234797600 487099471 /nfs/dbraw/zinc/09/94/71/487099471.db2.gz MFRYETVEIWNEJY-YUMQZZPRSA-N 0 3 175.247 1.359 20 0 ADADHN C=Cn1cc(CNC[C@@H](C)OC)cn1 234775940 487099651 /nfs/dbraw/zinc/09/96/51/487099651.db2.gz ISFSZSOJLIQWNS-SECBINFHSA-N 0 3 195.266 1.108 20 0 ADADHN CO[C@H]1C[C@@H](NCCF)C1(C)C 234779573 487099670 /nfs/dbraw/zinc/09/96/70/487099670.db2.gz MFRYETVEIWNEJY-SFYZADRCSA-N 0 3 175.247 1.359 20 0 ADADHN CO[C@@H]1C[C@@H](NCCF)C1(C)C 234841052 487099737 /nfs/dbraw/zinc/09/97/37/487099737.db2.gz MFRYETVEIWNEJY-HTQZYQBOSA-N 0 3 175.247 1.359 20 0 ADADHN CN(Cc1cnn(C)c1)CC1(C)CC1 683826012 487099771 /nfs/dbraw/zinc/09/97/71/487099771.db2.gz VPVOXSWAFNFYOZ-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1ccnn1C 234782398 487099778 /nfs/dbraw/zinc/09/97/78/487099778.db2.gz AMGBVONQYHHFFA-RKDXNWHRSA-N 0 3 197.282 1.106 20 0 ADADHN CC(C)CN(CC(N)=O)CC1(C)CC1 683826863 487100086 /nfs/dbraw/zinc/10/00/86/487100086.db2.gz VKVPXIMWSAIQQP-UHFFFAOYSA-N 0 3 198.310 1.230 20 0 ADADHN CCCCN(CC(N)=O)CC1(C)CC1 683826193 487100259 /nfs/dbraw/zinc/10/02/59/487100259.db2.gz FQZMJVFDZRFEAJ-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CCCN(CC(=O)NC)CC1(C)CC1 683826975 487100307 /nfs/dbraw/zinc/10/03/07/487100307.db2.gz AXYISZNQLWNQMY-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN COc1cccnc1CNC(C)C 234941240 487100454 /nfs/dbraw/zinc/10/04/54/487100454.db2.gz WEEYNTWWIVNNCR-UHFFFAOYSA-N 0 3 180.251 1.588 20 0 ADADHN COc1cccnc1CNCC(C)C 234941337 487100674 /nfs/dbraw/zinc/10/06/74/487100674.db2.gz QLHXBUWQAPJEJS-UHFFFAOYSA-N 0 3 194.278 1.836 20 0 ADADHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)N)CC1 235284310 487101661 /nfs/dbraw/zinc/10/16/61/487101661.db2.gz NOAZRHHXMIANIJ-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)CC1 235265365 487101694 /nfs/dbraw/zinc/10/16/94/487101694.db2.gz NOAZRHHXMIANIJ-UTLUCORTSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)CC1 235285361 487102059 /nfs/dbraw/zinc/10/20/59/487102059.db2.gz NOAZRHHXMIANIJ-KXUCPTDWSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N)CC1 235264268 487102348 /nfs/dbraw/zinc/10/23/48/487102348.db2.gz NOAZRHHXMIANIJ-BBBLOLIVSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](C1CC1)N(C)Cc1cn(C)cn1 683897223 487103313 /nfs/dbraw/zinc/10/33/13/487103313.db2.gz SZNLQCRBXDUJQB-VIFPVBQESA-N 0 3 193.294 1.650 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1cn(C)cn1 683898094 487103343 /nfs/dbraw/zinc/10/33/43/487103343.db2.gz KWZSQBXTGDKJQN-JTQLQIEISA-N 0 3 195.310 1.896 20 0 ADADHN C[C@H](C1CC1)N(C)Cc1cn(C)cn1 683897222 487103801 /nfs/dbraw/zinc/10/38/01/487103801.db2.gz SZNLQCRBXDUJQB-SECBINFHSA-N 0 3 193.294 1.650 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cn(C)cn1 683898095 487104051 /nfs/dbraw/zinc/10/40/51/487104051.db2.gz KWZSQBXTGDKJQN-SNVBAGLBSA-N 0 3 195.310 1.896 20 0 ADADHN CC[C@@H](C)NC(=O)Cc1nc[nH]c1C 683917560 487104541 /nfs/dbraw/zinc/10/45/41/487104541.db2.gz FFTSNOHRWAVKIA-SSDOTTSWSA-N 0 3 195.266 1.175 20 0 ADADHN Cc1[nH]cnc1CC(=O)NCC(C)C 683917942 487104585 /nfs/dbraw/zinc/10/45/85/487104585.db2.gz SBIQAXOXQLFVON-UHFFFAOYSA-N 0 3 195.266 1.033 20 0 ADADHN CCCCNC(=O)Cc1nc[nH]c1C 683917535 487104613 /nfs/dbraw/zinc/10/46/13/487104613.db2.gz CCWRQOIRZAXPDK-UHFFFAOYSA-N 0 3 195.266 1.177 20 0 ADADHN CC[C@H](C)NC(=O)Cc1nc[nH]c1C 683917561 487105100 /nfs/dbraw/zinc/10/51/00/487105100.db2.gz FFTSNOHRWAVKIA-ZETCQYMHSA-N 0 3 195.266 1.175 20 0 ADADHN C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N)CC1 235553665 487105520 /nfs/dbraw/zinc/10/55/20/487105520.db2.gz NOAZRHHXMIANIJ-IVZWLZJFSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CCC[C@@H](NC(=O)[C@H](C)N)CC1 235553904 487106019 /nfs/dbraw/zinc/10/60/19/487106019.db2.gz NOAZRHHXMIANIJ-LPEHRKFASA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CCC[C@H](NC(=O)[C@@H](C)N)CC1 235579752 487106077 /nfs/dbraw/zinc/10/60/77/487106077.db2.gz NOAZRHHXMIANIJ-AEJSXWLSSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CCC[C@H](NC(=O)[C@H](C)N)CC1 235579934 487106302 /nfs/dbraw/zinc/10/63/02/487106302.db2.gz NOAZRHHXMIANIJ-GUBZILKMSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)N(C)CC(=O)N1CC(C)(C)C1 684082169 487106710 /nfs/dbraw/zinc/10/67/10/487106710.db2.gz VSTJTZHIRJWNJD-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CCCN(C)CC(=O)N1CC(C)(C)C1 684083278 487106879 /nfs/dbraw/zinc/10/68/79/487106879.db2.gz NLHSJLKRVCPEBG-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN Cc1ccc(CNCCO)c(Cl)c1 235777034 487107085 /nfs/dbraw/zinc/10/70/85/487107085.db2.gz HGZOHVYYLXEEQU-UHFFFAOYSA-N 0 3 199.681 1.730 20 0 ADADHN CCN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 684100467 487107339 /nfs/dbraw/zinc/10/73/39/487107339.db2.gz WXWUXBQNVCKNCO-DCAQKATOSA-N 0 3 199.294 1.275 20 0 ADADHN CCN1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 684100469 487107394 /nfs/dbraw/zinc/10/73/94/487107394.db2.gz WXWUXBQNVCKNCO-HBNTYKKESA-N 0 3 199.294 1.275 20 0 ADADHN CCN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 684100468 487107843 /nfs/dbraw/zinc/10/78/43/487107843.db2.gz WXWUXBQNVCKNCO-GARJFASQSA-N 0 3 199.294 1.275 20 0 ADADHN CC[C@@H](C(=O)N1CC(C)(C)C1)N(C)C 684085292 487107902 /nfs/dbraw/zinc/10/79/02/487107902.db2.gz GMVSBLQKWHHCAL-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@H](C(=O)N1CC(C)(C)C1)N(C)C 684085291 487107922 /nfs/dbraw/zinc/10/79/22/487107922.db2.gz GMVSBLQKWHHCAL-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN CCN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 684100466 487107965 /nfs/dbraw/zinc/10/79/65/487107965.db2.gz WXWUXBQNVCKNCO-AXFHLTTASA-N 0 3 199.294 1.275 20 0 ADADHN CCN(CC)CC(=O)N1CC(C)(C)C1 684087444 487107987 /nfs/dbraw/zinc/10/79/87/487107987.db2.gz XVHCPYQALLTULJ-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CC(C)N(C)C(=O)[C@H]1CCCCN1C 684115581 487108812 /nfs/dbraw/zinc/10/88/12/487108812.db2.gz JVQJZCVWTAFGIC-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C)NC 251571320 487118000 /nfs/dbraw/zinc/11/80/00/487118000.db2.gz IZWKRMRHDASMJW-KXUCPTDWSA-N 0 3 198.310 1.384 20 0 ADADHN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](C)NC 251571334 487118435 /nfs/dbraw/zinc/11/84/35/487118435.db2.gz IZWKRMRHDASMJW-LPEHRKFASA-N 0 3 198.310 1.384 20 0 ADADHN CC(C)C1CN(CC2=CCCOC2)C1 684407951 487120475 /nfs/dbraw/zinc/12/04/75/487120475.db2.gz JZUICBVAXCUASN-UHFFFAOYSA-N 0 3 195.306 1.921 20 0 ADADHN CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)NC 252457981 487124833 /nfs/dbraw/zinc/12/48/33/487124833.db2.gz DASDMTRSAPGLKC-YIZRAAEISA-N 0 3 186.299 1.145 20 0 ADADHN CC[C@H](C)[C@H](C)NC(=O)[C@H](C)NC 252457980 487124912 /nfs/dbraw/zinc/12/49/12/487124912.db2.gz DASDMTRSAPGLKC-CIUDSAMLSA-N 0 3 186.299 1.145 20 0 ADADHN c1nc(CN2CCC3(CC2)CC3)c[nH]1 684619815 487125296 /nfs/dbraw/zinc/12/52/96/487125296.db2.gz PXEUBJADQMMNDR-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN CC1=C(C)CN(Cc2cn[nH]c2)CC1 684614439 487125332 /nfs/dbraw/zinc/12/53/32/487125332.db2.gz MBKJJWMDHAOTNQ-UHFFFAOYSA-N 0 3 191.278 1.952 20 0 ADADHN COC(C)(C)CN(C)Cc1cnc[nH]1 684618121 487125406 /nfs/dbraw/zinc/12/54/06/487125406.db2.gz JQXNDFKGXHGYQV-UHFFFAOYSA-N 0 3 197.282 1.267 20 0 ADADHN CCOCCN(CC)Cc1cnc[nH]1 684618263 487125461 /nfs/dbraw/zinc/12/54/61/487125461.db2.gz SSLRIEHAOOWAAI-UHFFFAOYSA-N 0 3 197.282 1.268 20 0 ADADHN COC[C@@H]1CCCN1Cc1cnc[nH]1 684618207 487125589 /nfs/dbraw/zinc/12/55/89/487125589.db2.gz MDRMIUDEAYVAMI-JTQLQIEISA-N 0 3 195.266 1.021 20 0 ADADHN c1nc(CN2CCC[C@H]2C2CC2)c[nH]1 684618497 487126289 /nfs/dbraw/zinc/12/62/89/487126289.db2.gz PBYUQJBDCIBICN-NSHDSACASA-N 0 3 191.278 1.784 20 0 ADADHN C[C@@H]1COCCCN1Cc1cnc[nH]1 684619349 487125894 /nfs/dbraw/zinc/12/58/94/487125894.db2.gz QXHNCTUSNFFCPJ-SECBINFHSA-N 0 3 195.266 1.021 20 0 ADADHN COC[C@H]1CCCN1Cc1cnc[nH]1 684618208 487125964 /nfs/dbraw/zinc/12/59/64/487125964.db2.gz MDRMIUDEAYVAMI-SNVBAGLBSA-N 0 3 195.266 1.021 20 0 ADADHN CCC[C@](C)(N)C(=O)NC[C@@H]1C[C@H]1C 252715158 487126182 /nfs/dbraw/zinc/12/61/82/487126182.db2.gz UUZAVVUEIVZORU-YWVKMMECSA-N 0 3 198.310 1.276 20 0 ADADHN c1nc(CN2CCC[C@@H]2C2CC2)c[nH]1 684618495 487126410 /nfs/dbraw/zinc/12/64/10/487126410.db2.gz PBYUQJBDCIBICN-LLVKDONJSA-N 0 3 191.278 1.784 20 0 ADADHN C[C@H]1COCCCN1Cc1cnc[nH]1 684619350 487126515 /nfs/dbraw/zinc/12/65/15/487126515.db2.gz QXHNCTUSNFFCPJ-VIFPVBQESA-N 0 3 195.266 1.021 20 0 ADADHN CCC[C@](C)(N)C(=O)NC[C@H]1C[C@H]1C 252715157 487126582 /nfs/dbraw/zinc/12/65/82/487126582.db2.gz UUZAVVUEIVZORU-KKZNHRDASA-N 0 3 198.310 1.276 20 0 ADADHN Cc1ccncc1CN(C)CCCO 684623624 487127415 /nfs/dbraw/zinc/12/74/15/487127415.db2.gz ISLGNVSQFVOJRB-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN CN(CCCCCO)Cc1cnc[nH]1 684620339 487127962 /nfs/dbraw/zinc/12/79/62/487127962.db2.gz GUISIOKQUKFMDS-UHFFFAOYSA-N 0 3 197.282 1.004 20 0 ADADHN CC1=C(C)CN(CCOCCO)CC1 684629505 487128870 /nfs/dbraw/zinc/12/88/70/487128870.db2.gz ODYVYIRSYPZKAV-UHFFFAOYSA-N 0 3 199.294 1.037 20 0 ADADHN CCOC[C@@H](O)CN1CCC=C(C)C1 684773720 487130458 /nfs/dbraw/zinc/13/04/58/487130458.db2.gz FNEJJLQAMDWZRC-NSHDSACASA-N 0 3 199.294 1.036 20 0 ADADHN CCOC[C@H](O)CN1CCC=C(C)C1 684773719 487130528 /nfs/dbraw/zinc/13/05/28/487130528.db2.gz FNEJJLQAMDWZRC-LLVKDONJSA-N 0 3 199.294 1.036 20 0 ADADHN CC(C)CN(C)CC(=O)N1CCCC1 684756524 487131058 /nfs/dbraw/zinc/13/10/58/487131058.db2.gz JUCLZRWRAMVZEV-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C)CC1 253131987 487132124 /nfs/dbraw/zinc/13/21/24/487132124.db2.gz PEHQPSWHAVHZMW-GUBZILKMSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](CC)N(C)C 684802835 487133346 /nfs/dbraw/zinc/13/33/46/487133346.db2.gz MGUBLGODZAGCDV-OPRDCNLKSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C(=O)N[C@@H]1C[C@H]1CC)N(C)C 684802834 487133459 /nfs/dbraw/zinc/13/34/59/487133459.db2.gz MGUBLGODZAGCDV-BBBLOLIVSA-N 0 3 198.310 1.241 20 0 ADADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]1CC 684802778 487133731 /nfs/dbraw/zinc/13/37/31/487133731.db2.gz KVQNWANLDYUWCS-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)CN(C)C(C)C 684802478 487133794 /nfs/dbraw/zinc/13/37/94/487133794.db2.gz KJKOEXXSXDTTHS-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN Cc1ncc(CN2CCCC2)n1C 258139407 487134196 /nfs/dbraw/zinc/13/41/96/487134196.db2.gz KSKVFUAFLRRFAX-UHFFFAOYSA-N 0 3 179.267 1.324 20 0 ADADHN CC(C)CC(C)(C)CNC(=O)CN 258767523 487134663 /nfs/dbraw/zinc/13/46/63/487134663.db2.gz KSMJGAHEWSSBHI-UHFFFAOYSA-N 0 3 186.299 1.134 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)CN(CC)CC 684803573 487134705 /nfs/dbraw/zinc/13/47/05/487134705.db2.gz UKFDBORNGMEOHZ-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CCNC(=O)c1cccc2c1CNC2 258313498 487134769 /nfs/dbraw/zinc/13/47/69/487134769.db2.gz XDLGQMHQEXKIIO-UHFFFAOYSA-N 0 3 190.246 1.040 20 0 ADADHN Cc1ncc(CN2CCCCC2)n1C 258273804 487135149 /nfs/dbraw/zinc/13/51/49/487135149.db2.gz SSVGJQYDBXPSOG-UHFFFAOYSA-N 0 3 193.294 1.714 20 0 ADADHN C[C@H](N)C(=O)N(C)CCC(C)(C)C 258839676 487135775 /nfs/dbraw/zinc/13/57/75/487135775.db2.gz QDZLLQIKZUZDQF-QMMMGPOBSA-N 0 3 186.299 1.228 20 0 ADADHN CN(CCC(C)(C)C)C(=O)C1(N)CC1 258819031 487135929 /nfs/dbraw/zinc/13/59/29/487135929.db2.gz QSDTVDRWSSIUJL-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](N)C(=O)N(C)CCC(C)(C)C 258839674 487135953 /nfs/dbraw/zinc/13/59/53/487135953.db2.gz QDZLLQIKZUZDQF-MRVPVSSYSA-N 0 3 186.299 1.228 20 0 ADADHN CNCC(=O)N(C)CCC(C)(C)C 258848112 487136078 /nfs/dbraw/zinc/13/60/78/487136078.db2.gz QYKMXYDQRAPRGX-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CN(CCC1CCCCC1)C(=O)CN 258853604 487136191 /nfs/dbraw/zinc/13/61/91/487136191.db2.gz RLAWZZQPYGLCBS-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CCN(CCC(C)C)[C@H]1CCNC1=O 685043150 487142454 /nfs/dbraw/zinc/14/24/54/487142454.db2.gz ILLWXJNMVFNPJG-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCCCCN(CC)[C@H]1CCNC1=O 685043495 487142522 /nfs/dbraw/zinc/14/25/22/487142522.db2.gz OIMMIKKBIKGVCK-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCN(CCC(C)C)[C@@H]1CCNC1=O 685043155 487142684 /nfs/dbraw/zinc/14/26/84/487142684.db2.gz ILLWXJNMVFNPJG-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCCCCN(CC)[C@@H]1CCNC1=O 685043497 487142741 /nfs/dbraw/zinc/14/27/41/487142741.db2.gz OIMMIKKBIKGVCK-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H](C)N(C)Cc1c(C)cnn1C 685410452 487143349 /nfs/dbraw/zinc/14/33/49/487143349.db2.gz KDTGEFZKGZFAFD-JTQLQIEISA-N 0 3 195.310 1.959 20 0 ADADHN Cc1cnn(C)c1CN(C)CC1CC1 685411204 487143487 /nfs/dbraw/zinc/14/34/87/487143487.db2.gz AGEUVFPHWFYKNM-UHFFFAOYSA-N 0 3 193.294 1.570 20 0 ADADHN CO[C@H](C)CN(C)CC1=CCCOC1 685447516 487144533 /nfs/dbraw/zinc/14/45/33/487144533.db2.gz QBTFMGXLQVKXPZ-SNVBAGLBSA-N 0 3 199.294 1.300 20 0 ADADHN CCCCN(C)Cc1c(C)cnn1C 685407199 487143586 /nfs/dbraw/zinc/14/35/86/487143586.db2.gz JKDBKOGVGBAGMU-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN CC[C@@H](C)N(C)Cc1c(C)cnn1C 685410453 487143606 /nfs/dbraw/zinc/14/36/06/487143606.db2.gz KDTGEFZKGZFAFD-SNVBAGLBSA-N 0 3 195.310 1.959 20 0 ADADHN CCCCNCc1cc(C)n(C)n1 300822869 487144536 /nfs/dbraw/zinc/14/45/36/487144536.db2.gz DLCMTLUXGBSRIL-UHFFFAOYSA-N 0 3 181.283 1.618 20 0 ADADHN CN(C)CCN(C)Cc1ccncc1 685451877 487144537 /nfs/dbraw/zinc/14/45/37/487144537.db2.gz LYCZLQPBCCDAOI-UHFFFAOYSA-N 0 3 193.294 1.075 20 0 ADADHN CCCN(CC)Cc1c(C)cnn1C 685407216 487143762 /nfs/dbraw/zinc/14/37/62/487143762.db2.gz SEZMYJNGDAQYBD-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN Cc1cnn(C)c1CN(C)CC(C)C 685410271 487143865 /nfs/dbraw/zinc/14/38/65/487143865.db2.gz ZVKMSAVDUHCFCP-UHFFFAOYSA-N 0 3 195.310 1.816 20 0 ADADHN CN(C)CCN(C)Cc1ccn(C)c1 685451888 487144806 /nfs/dbraw/zinc/14/48/06/487144806.db2.gz OAIJOCPUWGENRX-UHFFFAOYSA-N 0 3 195.310 1.019 20 0 ADADHN Cc1ccoc1CN(C)CCN(C)C 685451903 487144863 /nfs/dbraw/zinc/14/48/63/487144863.db2.gz XXGOVAOSRTWLBF-UHFFFAOYSA-N 0 3 196.294 1.581 20 0 ADADHN CO[C@H](C)CN(C)Cc1ccn(C)c1 685447479 487144892 /nfs/dbraw/zinc/14/48/92/487144892.db2.gz DYBOAAWVIYVBBH-SNVBAGLBSA-N 0 3 196.294 1.492 20 0 ADADHN CO[C@@H](C)CN(C)CC1=CCCOC1 685447515 487144967 /nfs/dbraw/zinc/14/49/67/487144967.db2.gz QBTFMGXLQVKXPZ-JTQLQIEISA-N 0 3 199.294 1.300 20 0 ADADHN CO[C@@H](C)CN(C)Cc1ccn(C)c1 685447478 487145077 /nfs/dbraw/zinc/14/50/77/487145077.db2.gz DYBOAAWVIYVBBH-JTQLQIEISA-N 0 3 196.294 1.492 20 0 ADADHN CCN(CCOC)Cc1[nH]ncc1C 685833593 487149907 /nfs/dbraw/zinc/14/99/07/487149907.db2.gz VPLKTHQPGBZPBW-UHFFFAOYSA-N 0 3 197.282 1.186 20 0 ADADHN CCc1ccc(CN(C)[C@H](C)CO)o1 685458747 487145283 /nfs/dbraw/zinc/14/52/83/487145283.db2.gz ZHPDYDCTQSBJAJ-SECBINFHSA-N 0 3 197.278 1.655 20 0 ADADHN CN(Cc1ccco1)C[C@H](O)C1CC1 685460651 487145340 /nfs/dbraw/zinc/14/53/40/487145340.db2.gz DTVDPJVCJVKESW-NSHDSACASA-N 0 3 195.262 1.482 20 0 ADADHN CC[C@@H](C)NCc1cc(C)n(C)n1 300838764 487145384 /nfs/dbraw/zinc/14/53/84/487145384.db2.gz GJKRFKIKFWPWAD-MRVPVSSYSA-N 0 3 181.283 1.617 20 0 ADADHN CC(C)[C@@H](N)c1cn(C(C)(C)C)nn1 300838604 487145409 /nfs/dbraw/zinc/14/54/09/487145409.db2.gz CWPRQKJCOZNCOW-SECBINFHSA-N 0 3 196.298 1.689 20 0 ADADHN CCCCn1cc([C@@H](N)C(C)C)nn1 300830802 487145437 /nfs/dbraw/zinc/14/54/37/487145437.db2.gz BZPUYUIHBNRWBL-JTQLQIEISA-N 0 3 196.298 1.734 20 0 ADADHN CC(C)[C@H](N)c1cn(CC2CC2)nn1 300830095 487145516 /nfs/dbraw/zinc/14/55/16/487145516.db2.gz HKTNEBGDSHUMKC-JTQLQIEISA-N 0 3 194.282 1.344 20 0 ADADHN CN(Cc1ccco1)C[C@@H](O)C1CC1 685460647 487145672 /nfs/dbraw/zinc/14/56/72/487145672.db2.gz DTVDPJVCJVKESW-LLVKDONJSA-N 0 3 195.262 1.482 20 0 ADADHN CCCCn1cc([C@H](N)C(C)C)nn1 300830804 487145684 /nfs/dbraw/zinc/14/56/84/487145684.db2.gz BZPUYUIHBNRWBL-SNVBAGLBSA-N 0 3 196.298 1.734 20 0 ADADHN CC(C)[C@H](N)c1cn(C(C)(C)C)nn1 300838606 487145739 /nfs/dbraw/zinc/14/57/39/487145739.db2.gz CWPRQKJCOZNCOW-VIFPVBQESA-N 0 3 196.298 1.689 20 0 ADADHN CC(C)[C@@H](N)c1cn(CC2CC2)nn1 300830096 487145764 /nfs/dbraw/zinc/14/57/64/487145764.db2.gz HKTNEBGDSHUMKC-SNVBAGLBSA-N 0 3 194.282 1.344 20 0 ADADHN CCn1nncc1CNC(C)(C)C 300840047 487145820 /nfs/dbraw/zinc/14/58/20/487145820.db2.gz JOMGKUUOIQGPFE-UHFFFAOYSA-N 0 3 182.271 1.186 20 0 ADADHN Cc1cc(CNCC2CC2)nn1C 300871041 487145815 /nfs/dbraw/zinc/14/58/15/487145815.db2.gz JYZXAEXJAMJMOK-UHFFFAOYSA-N 0 3 179.267 1.228 20 0 ADADHN CC[C@H](C)NCc1cc(C)n(C)n1 300838767 487145863 /nfs/dbraw/zinc/14/58/63/487145863.db2.gz GJKRFKIKFWPWAD-QMMMGPOBSA-N 0 3 181.283 1.617 20 0 ADADHN CC(C)Cn1cc([C@@H](N)C(C)C)nn1 300902426 487146222 /nfs/dbraw/zinc/14/62/22/487146222.db2.gz WKUPSYKIGIRNEY-JTQLQIEISA-N 0 3 196.298 1.590 20 0 ADADHN CCn1nncc1CNCC(C)C 300895350 487146400 /nfs/dbraw/zinc/14/64/00/487146400.db2.gz QEHIRRGHZYXZSK-UHFFFAOYSA-N 0 3 182.271 1.044 20 0 ADADHN CN(CCCO)Cc1ccc(O)cc1 300873135 487146421 /nfs/dbraw/zinc/14/64/21/487146421.db2.gz XSFXHJPAHZXCOA-UHFFFAOYSA-N 0 3 195.262 1.206 20 0 ADADHN CC(C)[C@H](N)c1cn(C(C)C)nn1 300890758 487146430 /nfs/dbraw/zinc/14/64/30/487146430.db2.gz JWTWBJBKFNIWLW-VIFPVBQESA-N 0 3 182.271 1.515 20 0 ADADHN CC(C)Cn1cc([C@H](N)C(C)C)nn1 300902428 487146483 /nfs/dbraw/zinc/14/64/83/487146483.db2.gz WKUPSYKIGIRNEY-SNVBAGLBSA-N 0 3 196.298 1.590 20 0 ADADHN Cc1cc(CNCC(C)C)nn1C 300895272 487146535 /nfs/dbraw/zinc/14/65/35/487146535.db2.gz NAHOJUDGGWDNBT-UHFFFAOYSA-N 0 3 181.283 1.474 20 0 ADADHN CC(C)[C@@H](N)c1cn(C(C)C)nn1 300890756 487146609 /nfs/dbraw/zinc/14/66/09/487146609.db2.gz JWTWBJBKFNIWLW-SECBINFHSA-N 0 3 182.271 1.515 20 0 ADADHN CCCN[C@H](C)c1cc(C)n(C)n1 300926973 487147066 /nfs/dbraw/zinc/14/70/66/487147066.db2.gz QKTQXSMKODDRNM-SECBINFHSA-N 0 3 181.283 1.789 20 0 ADADHN CCCN[C@@H](C)c1cc(C)n(C)n1 300926974 487147151 /nfs/dbraw/zinc/14/71/51/487147151.db2.gz QKTQXSMKODDRNM-VIFPVBQESA-N 0 3 181.283 1.789 20 0 ADADHN Cc1cc(CNC2CCCC2)nn1C 300935280 487147557 /nfs/dbraw/zinc/14/75/57/487147557.db2.gz RLSBTYHCTBSVFR-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN CC(C)N(Cc1cnnn1C)C(C)C 685570613 487147670 /nfs/dbraw/zinc/14/76/70/487147670.db2.gz IONCDWQOKLOPAJ-UHFFFAOYSA-N 0 3 196.298 1.434 20 0 ADADHN CN(CCOCCO)[C@@H]1C=CCCC1 301052324 487149070 /nfs/dbraw/zinc/14/90/70/487149070.db2.gz VYEMSWCBHUZVDW-LLVKDONJSA-N 0 3 199.294 1.036 20 0 ADADHN CN(CCOCCO)[C@H]1C=CCCC1 301052325 487149136 /nfs/dbraw/zinc/14/91/36/487149136.db2.gz VYEMSWCBHUZVDW-NSHDSACASA-N 0 3 199.294 1.036 20 0 ADADHN Cc1c[nH]nc1CN(C)[C@H](C)C1CC1 685833922 487150321 /nfs/dbraw/zinc/15/03/21/487150321.db2.gz JTLJWAVVPKGMOG-SECBINFHSA-N 0 3 193.294 1.948 20 0 ADADHN Cc1cn[nH]c1CN1CC(C(C)C)C1 685845617 487150694 /nfs/dbraw/zinc/15/06/94/487150694.db2.gz NNWMSNDKDGEYOW-UHFFFAOYSA-N 0 3 193.294 1.806 20 0 ADADHN Cc1c[nH]nc1CN(C)[C@@H](C)C1CC1 685833923 487150787 /nfs/dbraw/zinc/15/07/87/487150787.db2.gz JTLJWAVVPKGMOG-VIFPVBQESA-N 0 3 193.294 1.948 20 0 ADADHN c1cc(CN[C@H]2CCC[C@@H]3C[C@H]23)no1 306262383 487152806 /nfs/dbraw/zinc/15/28/06/487152806.db2.gz YIQMGORPTCGPEE-MIMYLULJSA-N 0 3 192.262 1.953 20 0 ADADHN CC1(CN2CC[C@](F)(CO)C2)CC1 306354202 487154600 /nfs/dbraw/zinc/15/46/00/487154600.db2.gz ITEDIOCMWDTOOK-SNVBAGLBSA-N 0 3 187.258 1.193 20 0 ADADHN c1cc(CN[C@H]2CCC[C@@H]3C[C@H]23)on1 306357834 487154634 /nfs/dbraw/zinc/15/46/34/487154634.db2.gz XXXZILUHGBFUNM-MIMYLULJSA-N 0 3 192.262 1.953 20 0 ADADHN CC1(CN2CC[C@@](F)(CO)C2)CC1 306354200 487154642 /nfs/dbraw/zinc/15/46/42/487154642.db2.gz ITEDIOCMWDTOOK-JTQLQIEISA-N 0 3 187.258 1.193 20 0 ADADHN CC(C)[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C 306558191 487160464 /nfs/dbraw/zinc/16/04/64/487160464.db2.gz OQYJKPKPZLEAQF-AEJSXWLSSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C 306558194 487160630 /nfs/dbraw/zinc/16/06/30/487160630.db2.gz OQYJKPKPZLEAQF-UTLUCORTSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1C 306558192 487160696 /nfs/dbraw/zinc/16/06/96/487160696.db2.gz OQYJKPKPZLEAQF-BBBLOLIVSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1C 306558193 487160802 /nfs/dbraw/zinc/16/08/02/487160802.db2.gz OQYJKPKPZLEAQF-GUBZILKMSA-N 0 3 198.310 1.227 20 0 ADADHN CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](C)C1 306570493 487161220 /nfs/dbraw/zinc/16/12/20/487161220.db2.gz YUSSJVVAEIQZIW-BBBLOLIVSA-N 0 3 198.310 1.099 20 0 ADADHN CN[C@@H](C)C(=O)N1CC[C@H](C)[C@H](C)C1 306570491 487161231 /nfs/dbraw/zinc/16/12/31/487161231.db2.gz YUSSJVVAEIQZIW-AEJSXWLSSA-N 0 3 198.310 1.099 20 0 ADADHN NCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 306935211 487170011 /nfs/dbraw/zinc/17/00/11/487170011.db2.gz GVKIFJYRWXXUOG-IVZWLZJFSA-N 0 3 196.294 1.030 20 0 ADADHN NCC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 306935213 487170120 /nfs/dbraw/zinc/17/01/20/487170120.db2.gz GVKIFJYRWXXUOG-KXUCPTDWSA-N 0 3 196.294 1.030 20 0 ADADHN NCC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 306935215 487170184 /nfs/dbraw/zinc/17/01/84/487170184.db2.gz GVKIFJYRWXXUOG-LPEHRKFASA-N 0 3 196.294 1.030 20 0 ADADHN NCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 306935217 487170266 /nfs/dbraw/zinc/17/02/66/487170266.db2.gz GVKIFJYRWXXUOG-OPRDCNLKSA-N 0 3 196.294 1.030 20 0 ADADHN CC1(C)CC(NCc2ncc[nH]2)C1 307013496 487172375 /nfs/dbraw/zinc/17/23/75/487172375.db2.gz RELXPVUKYKYNFC-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN CN1CCN(CCC2CCC2)CC1 307116581 487174297 /nfs/dbraw/zinc/17/42/97/487174297.db2.gz FWYKQTWOMPTOBE-UHFFFAOYSA-N 0 3 182.311 1.424 20 0 ADADHN Cc1ncc(CN[C@H]2CC[C@@H]2C)o1 307158692 487174765 /nfs/dbraw/zinc/17/47/65/487174765.db2.gz BQKKFICSSWSILY-XVKPBYJWSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1ncc(CN[C@H]2CC[C@H]2C)o1 307158691 487174778 /nfs/dbraw/zinc/17/47/78/487174778.db2.gz BQKKFICSSWSILY-XCBNKYQSSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1ncc(CN[C@@H]2CC[C@@H]2C)o1 307158690 487174855 /nfs/dbraw/zinc/17/48/55/487174855.db2.gz BQKKFICSSWSILY-OIBJUYFYSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1ncc(CN[C@@H]2CC[C@H]2C)o1 307158689 487174895 /nfs/dbraw/zinc/17/48/95/487174895.db2.gz BQKKFICSSWSILY-GMSGAONNSA-N 0 3 180.251 1.871 20 0 ADADHN CC(=O)N1CCNC2(CCCCC2)C1 307385452 487180597 /nfs/dbraw/zinc/18/05/97/487180597.db2.gz IHYDLAOYNFDECI-UHFFFAOYSA-N 0 3 196.294 1.141 20 0 ADADHN C[C@@H]1C[C@H]1CN1CC[C@](F)(CO)C1 307436993 487180719 /nfs/dbraw/zinc/18/07/19/487180719.db2.gz UHHIVIVLONHBGN-KXUCPTDWSA-N 0 3 187.258 1.049 20 0 ADADHN CC[C@](C)(N)c1cn(C(C)(C)C)nn1 307414902 487180919 /nfs/dbraw/zinc/18/09/19/487180919.db2.gz KLTXETDJUKSRGV-JTQLQIEISA-N 0 3 196.298 1.617 20 0 ADADHN C[C@@H]1C[C@H]1CN1CC[C@@](F)(CO)C1 307437008 487181031 /nfs/dbraw/zinc/18/10/31/487181031.db2.gz UHHIVIVLONHBGN-UTLUCORTSA-N 0 3 187.258 1.049 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CC[C@@](F)(CO)C1 307436985 487181085 /nfs/dbraw/zinc/18/10/85/487181085.db2.gz UHHIVIVLONHBGN-BBBLOLIVSA-N 0 3 187.258 1.049 20 0 ADADHN c1nc(CN[C@H]2CCC[C@@H]3C[C@H]23)co1 307424435 487181187 /nfs/dbraw/zinc/18/11/87/487181187.db2.gz OKDXJDHMYZTRPS-MIMYLULJSA-N 0 3 192.262 1.953 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CC[C@](F)(CO)C1 307437000 487181284 /nfs/dbraw/zinc/18/12/84/487181284.db2.gz UHHIVIVLONHBGN-OPRDCNLKSA-N 0 3 187.258 1.049 20 0 ADADHN CC[C@@](C)(N)c1cn(C(C)(C)C)nn1 307414903 487181295 /nfs/dbraw/zinc/18/12/95/487181295.db2.gz KLTXETDJUKSRGV-SNVBAGLBSA-N 0 3 196.298 1.617 20 0 ADADHN c1cc(CN[C@H]2CCC[C@H]3C[C@H]32)n[nH]1 307562973 487183936 /nfs/dbraw/zinc/18/39/36/487183936.db2.gz LXQSBDZWAYLAIY-GDPRMGEGSA-N 0 3 191.278 1.688 20 0 ADADHN OCCN1CCc2ccsc2C1 307582796 487185364 /nfs/dbraw/zinc/18/53/64/487185364.db2.gz WEOJYAZFWHYIMH-UHFFFAOYSA-N 0 3 183.276 1.099 20 0 ADADHN C[C@H]1COCCN1C[C@@H]1C[C@H]1C 307583302 487185463 /nfs/dbraw/zinc/18/54/63/487185463.db2.gz YHGILCQRXQINIE-UTLUCORTSA-N 0 3 169.268 1.363 20 0 ADADHN CC(C)=CCN(C)[C@H]1CCOC1 307582481 487185512 /nfs/dbraw/zinc/18/55/12/487185512.db2.gz VFOBAAQETDYHEY-JTQLQIEISA-N 0 3 169.268 1.673 20 0 ADADHN CC(C)=CCN(C)[C@@H]1CCOC1 307582482 487185528 /nfs/dbraw/zinc/18/55/28/487185528.db2.gz VFOBAAQETDYHEY-SNVBAGLBSA-N 0 3 169.268 1.673 20 0 ADADHN C[C@H]1COCCN1C[C@H]1C[C@H]1C 307583301 487185615 /nfs/dbraw/zinc/18/56/15/487185615.db2.gz YHGILCQRXQINIE-KXUCPTDWSA-N 0 3 169.268 1.363 20 0 ADADHN CN(CCO)CC1=CCCC1 307703166 487188986 /nfs/dbraw/zinc/18/89/86/487188986.db2.gz QVXGATXHIDKTCF-UHFFFAOYSA-N 0 3 155.241 1.021 20 0 ADADHN CCCCN1CC[C@@](F)(CO)C1 308059382 487193112 /nfs/dbraw/zinc/19/31/12/487193112.db2.gz VSIOUZSBDHEBLZ-VIFPVBQESA-N 0 3 175.247 1.193 20 0 ADADHN CCCCN1CC[C@](F)(CO)C1 308059380 487193247 /nfs/dbraw/zinc/19/32/47/487193247.db2.gz VSIOUZSBDHEBLZ-SECBINFHSA-N 0 3 175.247 1.193 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1cn[nH]c1 308128965 487194162 /nfs/dbraw/zinc/19/41/62/487194162.db2.gz AWYXEEAVGIDMIG-YUMQZZPRSA-N 0 3 183.255 1.095 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1cn[nH]c1 308128957 487194298 /nfs/dbraw/zinc/19/42/98/487194298.db2.gz AWYXEEAVGIDMIG-HTQZYQBOSA-N 0 3 183.255 1.095 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1cn[nH]c1 308128960 487194355 /nfs/dbraw/zinc/19/43/55/487194355.db2.gz AWYXEEAVGIDMIG-JGVFFNPUSA-N 0 3 183.255 1.095 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1cn[nH]c1 308128962 487194395 /nfs/dbraw/zinc/19/43/95/487194395.db2.gz AWYXEEAVGIDMIG-SFYZADRCSA-N 0 3 183.255 1.095 20 0 ADADHN CCCCCN1CC[C@](F)(CO)C1 308173635 487196325 /nfs/dbraw/zinc/19/63/25/487196325.db2.gz CJSDSGUXLOYDLH-SNVBAGLBSA-N 0 3 189.274 1.583 20 0 ADADHN CCCCCN1CC[C@@](F)(CO)C1 308173634 487196339 /nfs/dbraw/zinc/19/63/39/487196339.db2.gz CJSDSGUXLOYDLH-JTQLQIEISA-N 0 3 189.274 1.583 20 0 ADADHN CCC[C@H](N)c1cn(C2CC2)nn1 308205626 487196606 /nfs/dbraw/zinc/19/66/06/487196606.db2.gz HRQYSXLDIXOJRH-QMMMGPOBSA-N 0 3 180.255 1.413 20 0 ADADHN OC[C@]1(F)CCN(CCC2CC2)C1 308406052 487199964 /nfs/dbraw/zinc/19/99/64/487199964.db2.gz LUACKNRNZLEKGP-JTQLQIEISA-N 0 3 187.258 1.193 20 0 ADADHN CCC[C@@H](N)c1cn(C2CC2)nn1 308205625 487196832 /nfs/dbraw/zinc/19/68/32/487196832.db2.gz HRQYSXLDIXOJRH-MRVPVSSYSA-N 0 3 180.255 1.413 20 0 ADADHN C[C@@H](NC/C=C\CO)c1ccccc1 308254724 487198145 /nfs/dbraw/zinc/19/81/45/487198145.db2.gz CJRXRFFOZWUZRU-ISALQUGTSA-N 0 3 191.274 1.886 20 0 ADADHN Cc1cc([C@H](C)NCCO)oc1C 308287651 487198919 /nfs/dbraw/zinc/19/89/19/487198919.db2.gz ZRAKYXLKEROMBX-QMMMGPOBSA-N 0 3 183.251 1.539 20 0 ADADHN Cc1cc([C@@H](C)NCCO)oc1C 308287396 487198962 /nfs/dbraw/zinc/19/89/62/487198962.db2.gz ZRAKYXLKEROMBX-MRVPVSSYSA-N 0 3 183.251 1.539 20 0 ADADHN CC[C@H](C)N(CC)CC(=O)N(C)C 308302564 487199167 /nfs/dbraw/zinc/19/91/67/487199167.db2.gz MRRXHWBRWKMUCD-VIFPVBQESA-N 0 3 186.299 1.195 20 0 ADADHN CC[C@@H](C)N(CC)CC(=O)N(C)C 308302563 487199181 /nfs/dbraw/zinc/19/91/81/487199181.db2.gz MRRXHWBRWKMUCD-SECBINFHSA-N 0 3 186.299 1.195 20 0 ADADHN OC[C@@]1(F)CCN(CCC2CC2)C1 308406053 487199911 /nfs/dbraw/zinc/19/99/11/487199911.db2.gz LUACKNRNZLEKGP-SNVBAGLBSA-N 0 3 187.258 1.193 20 0 ADADHN C[C@H](NC/C=C\CO)c1ccccc1 308384925 487199988 /nfs/dbraw/zinc/19/99/88/487199988.db2.gz CJRXRFFOZWUZRU-GZTOBOFZSA-N 0 3 191.274 1.886 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N(C(=O)CNC)C1 308459784 487201474 /nfs/dbraw/zinc/20/14/74/487201474.db2.gz FYRGIBXJZFATCH-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CN(C)CC(C)(C)NCC(F)F 308632631 487205290 /nfs/dbraw/zinc/20/52/90/487205290.db2.gz RRHOBAFCMBYBJA-UHFFFAOYSA-N 0 3 180.242 1.181 20 0 ADADHN Cc1cc([C@@H](C)NCC2CC2)nn1C 308642037 487205866 /nfs/dbraw/zinc/20/58/66/487205866.db2.gz FHCZKHCYVZRPQW-SECBINFHSA-N 0 3 193.294 1.789 20 0 ADADHN Cc1cc([C@H](C)NCC2CC2)nn1C 308642038 487206067 /nfs/dbraw/zinc/20/60/67/487206067.db2.gz FHCZKHCYVZRPQW-VIFPVBQESA-N 0 3 193.294 1.789 20 0 ADADHN Cc1cc([C@H](C)NCCCF)nn1C 308673398 487206610 /nfs/dbraw/zinc/20/66/10/487206610.db2.gz VPCGEGGMEUKMMI-VIFPVBQESA-N 0 3 199.273 1.739 20 0 ADADHN Cc1cc([C@@H](C)NCCCF)nn1C 308673397 487207205 /nfs/dbraw/zinc/20/72/05/487207205.db2.gz VPCGEGGMEUKMMI-SECBINFHSA-N 0 3 199.273 1.739 20 0 ADADHN Cc1cc([C@H](C)N[C@@H](C)CO)oc1C 308762063 487208125 /nfs/dbraw/zinc/20/81/25/487208125.db2.gz YJKQAVFPGRKNQA-IUCAKERBSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@@H](C)N[C@@H](C)CO)oc1C 308762062 487208523 /nfs/dbraw/zinc/20/85/23/487208523.db2.gz YJKQAVFPGRKNQA-DTWKUNHWSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1occc1CNCC1(CO)CC1 320976926 487210233 /nfs/dbraw/zinc/21/02/33/487210233.db2.gz PIXCPMSZXZDKIZ-UHFFFAOYSA-N 0 3 195.262 1.450 20 0 ADADHN Cc1occc1CNC[C@H](C)N(C)C 320931835 487210348 /nfs/dbraw/zinc/21/03/48/487210348.db2.gz BXCHDKRUEBPFRV-VIFPVBQESA-N 0 3 196.294 1.628 20 0 ADADHN Cc1occc1CNC[C@@H](C)N(C)C 320931832 487210354 /nfs/dbraw/zinc/21/03/54/487210354.db2.gz BXCHDKRUEBPFRV-SECBINFHSA-N 0 3 196.294 1.628 20 0 ADADHN Cc1occc1CNCC1(O)CCC1 320987572 487210389 /nfs/dbraw/zinc/21/03/89/487210389.db2.gz HWFWQMJRUQBASX-UHFFFAOYSA-N 0 3 195.262 1.593 20 0 ADADHN Cc1occc1CNC1(CO)CCC1 320996500 487210486 /nfs/dbraw/zinc/21/04/86/487210486.db2.gz IRLGKJGPTDOWIY-UHFFFAOYSA-N 0 3 195.262 1.593 20 0 ADADHN Cc1occc1CNC[C@H](O)C1CC1 321031361 487210912 /nfs/dbraw/zinc/21/09/12/487210912.db2.gz XSJBBNYWNGBIKH-NSHDSACASA-N 0 3 195.262 1.449 20 0 ADADHN Cc1occc1CNC[C@@H](O)C1CC1 321031360 487210970 /nfs/dbraw/zinc/21/09/70/487210970.db2.gz XSJBBNYWNGBIKH-LLVKDONJSA-N 0 3 195.262 1.449 20 0 ADADHN CC[C@H](NCc1cc[nH]n1)[C@@H]1C[C@@H]1C 321074117 487211448 /nfs/dbraw/zinc/21/14/48/487211448.db2.gz KTNLXJRAQRMUCI-GDPRMGEGSA-N 0 3 193.294 1.934 20 0 ADADHN CC[C@H](NCc1cc[nH]n1)[C@H]1C[C@H]1C 321074120 487211560 /nfs/dbraw/zinc/21/15/60/487211560.db2.gz KTNLXJRAQRMUCI-MIMYLULJSA-N 0 3 193.294 1.934 20 0 ADADHN CC[C@H](NCc1cc[nH]n1)[C@H]1C[C@@H]1C 321074119 487211706 /nfs/dbraw/zinc/21/17/06/487211706.db2.gz KTNLXJRAQRMUCI-LSJOCFKGSA-N 0 3 193.294 1.934 20 0 ADADHN CC[C@H](NCc1cc[nH]n1)[C@@H]1C[C@H]1C 321074118 487211734 /nfs/dbraw/zinc/21/17/34/487211734.db2.gz KTNLXJRAQRMUCI-IEBDPFPHSA-N 0 3 193.294 1.934 20 0 ADADHN Cc1occc1CN[C@@H](C)C[C@H](C)O 321129575 487212044 /nfs/dbraw/zinc/21/20/44/487212044.db2.gz WWQBWCLKFRTIBJ-IUCAKERBSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1occc1CNC[C@H](C)CCO 321154010 487212175 /nfs/dbraw/zinc/21/21/75/487212175.db2.gz ZQCQKAFZRFUOAB-SECBINFHSA-N 0 3 197.278 1.696 20 0 ADADHN Cc1occc1CN[C@H](C)C[C@@H](C)O 321129578 487212215 /nfs/dbraw/zinc/21/22/15/487212215.db2.gz WWQBWCLKFRTIBJ-RKDXNWHRSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1occc1CN[C@@H](C)C[C@@H](C)O 321129570 487212238 /nfs/dbraw/zinc/21/22/38/487212238.db2.gz WWQBWCLKFRTIBJ-DTWKUNHWSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1occc1CNC[C@@H](C)CCO 321154012 487212304 /nfs/dbraw/zinc/21/23/04/487212304.db2.gz ZQCQKAFZRFUOAB-VIFPVBQESA-N 0 3 197.278 1.696 20 0 ADADHN Cc1occc1CNCC(C)(C)CO 321133212 487212371 /nfs/dbraw/zinc/21/23/71/487212371.db2.gz XIILRACWMGSNDP-UHFFFAOYSA-N 0 3 197.278 1.696 20 0 ADADHN Cc1occc1CN[C@H](C)C[C@H](C)O 321129566 487212570 /nfs/dbraw/zinc/21/25/70/487212570.db2.gz WWQBWCLKFRTIBJ-BDAKNGLRSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1occc1CNC(C)(C)CO 321454102 487212997 /nfs/dbraw/zinc/21/29/97/487212997.db2.gz BPXIBOFEHXHQGZ-UHFFFAOYSA-N 0 3 183.251 1.449 20 0 ADADHN CC[C@H](CCO)NCc1ccoc1C 321456378 487213139 /nfs/dbraw/zinc/21/31/39/487213139.db2.gz GAEQYPUJLIBYFB-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CNC(C)(C)CCO 321342964 487213266 /nfs/dbraw/zinc/21/32/66/487213266.db2.gz BPQDQOWTWDXAHX-UHFFFAOYSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CNCC[C@H](C)O 321219657 487213299 /nfs/dbraw/zinc/21/32/99/487213299.db2.gz JWVQGXMNVMHWNQ-QMMMGPOBSA-N 0 3 183.251 1.449 20 0 ADADHN CC[C@@H](CCO)NCc1ccoc1C 321456379 487213348 /nfs/dbraw/zinc/21/33/48/487213348.db2.gz GAEQYPUJLIBYFB-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@](C)(O)CNCc1ccoc1C 321478507 487213585 /nfs/dbraw/zinc/21/35/85/487213585.db2.gz IOJZDXWJTSTWAV-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CNCC(C)(C)O 321490492 487213631 /nfs/dbraw/zinc/21/36/31/487213631.db2.gz GBUXIDXTSKDOGM-UHFFFAOYSA-N 0 3 183.251 1.449 20 0 ADADHN Cc1occc1CNC[C@@H](O)C(C)C 321484663 487213703 /nfs/dbraw/zinc/21/37/03/487213703.db2.gz JLMKEGLZPNFHNI-LLVKDONJSA-N 0 3 197.278 1.695 20 0 ADADHN Cc1occc1CNC[C@@H](C)O 321499242 487213783 /nfs/dbraw/zinc/21/37/83/487213783.db2.gz LLVZYINFHMITGL-SSDOTTSWSA-N 0 3 169.224 1.058 20 0 ADADHN CC[C@H](CO)NCc1ccoc1C 321461037 487213824 /nfs/dbraw/zinc/21/38/24/487213824.db2.gz CINNJRBUECMROG-SNVBAGLBSA-N 0 3 183.251 1.449 20 0 ADADHN CC[C@@H](CO)NCc1ccoc1C 321461036 487213837 /nfs/dbraw/zinc/21/38/37/487213837.db2.gz CINNJRBUECMROG-JTQLQIEISA-N 0 3 183.251 1.449 20 0 ADADHN CC[C@@](C)(O)CNCc1ccoc1C 321478506 487214003 /nfs/dbraw/zinc/21/40/03/487214003.db2.gz IOJZDXWJTSTWAV-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CNC[C@H](O)C(C)C 321484664 487214086 /nfs/dbraw/zinc/21/40/86/487214086.db2.gz JLMKEGLZPNFHNI-NSHDSACASA-N 0 3 197.278 1.695 20 0 ADADHN Cc1occc1CNC[C@H](C)CO 321531118 487214261 /nfs/dbraw/zinc/21/42/61/487214261.db2.gz JXOCQKJSTQVFDB-QMMMGPOBSA-N 0 3 183.251 1.306 20 0 ADADHN CC[C@@H](NCc1ccoc1C)[C@H](C)O 321569350 487214330 /nfs/dbraw/zinc/21/43/30/487214330.db2.gz UOWLAMNHIHOVCF-GZMMTYOYSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@H](NCc1ccoc1C)[C@@H](C)O 321569353 487214374 /nfs/dbraw/zinc/21/43/74/487214374.db2.gz UOWLAMNHIHOVCF-KCJUWKMLSA-N 0 3 197.278 1.837 20 0 ADADHN Cc1occc1CNC[C@@H](C)CO 321531117 487214384 /nfs/dbraw/zinc/21/43/84/487214384.db2.gz JXOCQKJSTQVFDB-MRVPVSSYSA-N 0 3 183.251 1.306 20 0 ADADHN CC[C@](C)(CO)NCc1ccoc1C 321506868 487214413 /nfs/dbraw/zinc/21/44/13/487214413.db2.gz MGXCCSNEVLKFDT-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN CCC[C@@H](O)CNCc1ccoc1C 321547952 487214428 /nfs/dbraw/zinc/21/44/28/487214428.db2.gz RNEJCOMFIWWHME-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN CO[C@H](C)CNCc1ccoc1C 321544760 487214511 /nfs/dbraw/zinc/21/45/11/487214511.db2.gz LEJRGZOWOQKPOB-MRVPVSSYSA-N 0 3 183.251 1.713 20 0 ADADHN CC[C@@](C)(CO)NCc1ccoc1C 321506870 487214541 /nfs/dbraw/zinc/21/45/41/487214541.db2.gz MGXCCSNEVLKFDT-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@H](NCc1ccoc1C)[C@H](C)O 321569357 487214567 /nfs/dbraw/zinc/21/45/67/487214567.db2.gz UOWLAMNHIHOVCF-KWQFWETISA-N 0 3 197.278 1.837 20 0 ADADHN CCC[C@H](O)CNCc1ccoc1C 321547953 487214575 /nfs/dbraw/zinc/21/45/75/487214575.db2.gz RNEJCOMFIWWHME-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN CO[C@@H](C)CNCc1ccoc1C 321544761 487214588 /nfs/dbraw/zinc/21/45/88/487214588.db2.gz LEJRGZOWOQKPOB-QMMMGPOBSA-N 0 3 183.251 1.713 20 0 ADADHN Cc1occc1CNCCCCCO 321549819 487214610 /nfs/dbraw/zinc/21/46/10/487214610.db2.gz RTLBGYKSORMHBS-UHFFFAOYSA-N 0 3 197.278 1.840 20 0 ADADHN CCOCCNCc1ccoc1C 321530141 487214632 /nfs/dbraw/zinc/21/46/32/487214632.db2.gz JUAMJAHSUOIDIF-UHFFFAOYSA-N 0 3 183.251 1.714 20 0 ADADHN CC[C@@H](NCc1ccoc1C)[C@@H](C)O 321569362 487214691 /nfs/dbraw/zinc/21/46/91/487214691.db2.gz UOWLAMNHIHOVCF-LDYMZIIASA-N 0 3 197.278 1.837 20 0 ADADHN Cc1occc1CNC[C@H](C)O 321499243 487214715 /nfs/dbraw/zinc/21/47/15/487214715.db2.gz LLVZYINFHMITGL-ZETCQYMHSA-N 0 3 169.224 1.058 20 0 ADADHN Cc1occc1CNCCC(C)(C)O 321546019 487214749 /nfs/dbraw/zinc/21/47/49/487214749.db2.gz RFWZFRWKTZFKOI-UHFFFAOYSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CN[C@@H](C)C(C)(C)O 321609275 487215079 /nfs/dbraw/zinc/21/50/79/487215079.db2.gz ZATUUXPBJBCJKI-VIFPVBQESA-N 0 3 197.278 1.837 20 0 ADADHN Cc1occc1CNCCC[C@H](C)O 321591413 487215135 /nfs/dbraw/zinc/21/51/35/487215135.db2.gz WTXLCKIMLINSJK-VIFPVBQESA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CNCCCCO 321650555 487215142 /nfs/dbraw/zinc/21/51/42/487215142.db2.gz VPGAWESVEIISAP-UHFFFAOYSA-N 0 3 183.251 1.450 20 0 ADADHN Cc1occc1CNCCC[C@@H](C)O 321591412 487215179 /nfs/dbraw/zinc/21/51/79/487215179.db2.gz WTXLCKIMLINSJK-SECBINFHSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1occc1CN[C@H](CO)C(C)C 321585225 487215247 /nfs/dbraw/zinc/21/52/47/487215247.db2.gz WDOZQFZYQRJWCQ-LLVKDONJSA-N 0 3 197.278 1.695 20 0 ADADHN CC[C@H](O)CCNCc1ccoc1C 321588736 487215438 /nfs/dbraw/zinc/21/54/38/487215438.db2.gz WLGLJCLIUDSBPO-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@H](O)CCNCc1ccoc1C 321588725 487215410 /nfs/dbraw/zinc/21/54/10/487215410.db2.gz WLGLJCLIUDSBPO-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@H](NCc1cnns1)C1CC1 323700021 487224261 /nfs/dbraw/zinc/22/42/61/487224261.db2.gz IOYFHYIRYOIXQR-SECBINFHSA-N 0 3 197.307 1.816 20 0 ADADHN CC[C@@H](NCc1cn(C)cn1)C1CC1 323692722 487224371 /nfs/dbraw/zinc/22/43/71/487224371.db2.gz HBDGOGMJSIJYJB-LLVKDONJSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@H](NCc1cnns1)C1CC1 323700023 487224789 /nfs/dbraw/zinc/22/47/89/487224789.db2.gz IOYFHYIRYOIXQR-VIFPVBQESA-N 0 3 197.307 1.816 20 0 ADADHN CC[C@H](NCc1cn(C)cn1)C1CC1 323692723 487224819 /nfs/dbraw/zinc/22/48/19/487224819.db2.gz HBDGOGMJSIJYJB-NSHDSACASA-N 0 3 193.294 1.698 20 0 ADADHN CCOCC(C)(C)NCc1cc[nH]c1 378666554 487233564 /nfs/dbraw/zinc/23/35/64/487233564.db2.gz GSEIFHIQCATANZ-UHFFFAOYSA-N 0 3 196.294 1.919 20 0 ADADHN CCc1nocc1CNCC[C@H](C)O 378710722 487234707 /nfs/dbraw/zinc/23/47/07/487234707.db2.gz SWCATVGICQXXKB-QMMMGPOBSA-N 0 3 198.266 1.098 20 0 ADADHN CO[C@@H](CNCc1ccco1)C1CC1 378669128 487234287 /nfs/dbraw/zinc/23/42/87/487234287.db2.gz CDCBSEKWEBBNQY-NSHDSACASA-N 0 3 195.262 1.794 20 0 ADADHN CCc1nocc1CN[C@H](CC)CO 378672038 487234316 /nfs/dbraw/zinc/23/43/16/487234316.db2.gz KXITYGLRQPYGKM-SECBINFHSA-N 0 3 198.266 1.098 20 0 ADADHN CCc1nocc1CN[C@@H](C)CCO 378691536 487234329 /nfs/dbraw/zinc/23/43/29/487234329.db2.gz IXCUDDVFQDBUNS-QMMMGPOBSA-N 0 3 198.266 1.098 20 0 ADADHN CO[C@H](CNCc1ccco1)C1CC1 378669126 487234426 /nfs/dbraw/zinc/23/44/26/487234426.db2.gz CDCBSEKWEBBNQY-LLVKDONJSA-N 0 3 195.262 1.794 20 0 ADADHN CCc1nocc1CN[C@@H](CC)CO 378672039 487234552 /nfs/dbraw/zinc/23/45/52/487234552.db2.gz KXITYGLRQPYGKM-VIFPVBQESA-N 0 3 198.266 1.098 20 0 ADADHN CC[C@H](NCc1ccco1)C(C)(C)O 378846909 487236107 /nfs/dbraw/zinc/23/61/07/487236107.db2.gz AJZNSGYEAZZODP-JTQLQIEISA-N 0 3 197.278 1.919 20 0 ADADHN CC[C@@H](NCc1ccco1)C(C)(C)O 378846915 487236164 /nfs/dbraw/zinc/23/61/64/487236164.db2.gz AJZNSGYEAZZODP-SNVBAGLBSA-N 0 3 197.278 1.919 20 0 ADADHN CCCCCN1CCOC[C@@H]1C 379330895 487238579 /nfs/dbraw/zinc/23/85/79/487238579.db2.gz YSVIZSIQMZFQBM-JTQLQIEISA-N 0 3 171.284 1.897 20 0 ADADHN CC[C@@H](C)CN1CC[C@@](F)(CO)C1 379359219 487238920 /nfs/dbraw/zinc/23/89/20/487238920.db2.gz XRWMWWDQTJESSK-ZJUUUORDSA-N 0 3 189.274 1.439 20 0 ADADHN CC[C@@H](C)CN1CC[C@](F)(CO)C1 379359216 487239085 /nfs/dbraw/zinc/23/90/85/487239085.db2.gz XRWMWWDQTJESSK-NXEZZACHSA-N 0 3 189.274 1.439 20 0 ADADHN CC[C@H](C)CN1CC[C@](F)(CO)C1 379359218 487239196 /nfs/dbraw/zinc/23/91/96/487239196.db2.gz XRWMWWDQTJESSK-VHSXEESVSA-N 0 3 189.274 1.439 20 0 ADADHN CC[C@@H](C)N(C)Cc1n[nH]c(C)n1 379352195 487239230 /nfs/dbraw/zinc/23/92/30/487239230.db2.gz AQZKRYVLZJBVJC-SSDOTTSWSA-N 0 3 182.271 1.343 20 0 ADADHN CC[C@H](C)CN1CC[C@@](F)(CO)C1 379359217 487239256 /nfs/dbraw/zinc/23/92/56/487239256.db2.gz XRWMWWDQTJESSK-UWVGGRQHSA-N 0 3 189.274 1.439 20 0 ADADHN CC[C@H](C)N(C)Cc1n[nH]c(C)n1 379352196 487239282 /nfs/dbraw/zinc/23/92/82/487239282.db2.gz AQZKRYVLZJBVJC-ZETCQYMHSA-N 0 3 182.271 1.343 20 0 ADADHN CCN(CC)Cc1cncn1CC 379372353 487240710 /nfs/dbraw/zinc/24/07/10/487240710.db2.gz VHCQFMXXAYGVTA-UHFFFAOYSA-N 0 3 181.283 1.745 20 0 ADADHN CCCN(C)CC(=O)N(C)C(C)C 379390425 487242150 /nfs/dbraw/zinc/24/21/50/487242150.db2.gz NWLOTXFFHFGUSX-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN CNC(=O)CN(C)[C@H](C)CC(C)C 379393370 487242195 /nfs/dbraw/zinc/24/21/95/487242195.db2.gz UNLQISZSEALWEB-SECBINFHSA-N 0 3 186.299 1.099 20 0 ADADHN CNC(=O)CN(C)[C@@H](C)CC(C)C 379393371 487242333 /nfs/dbraw/zinc/24/23/33/487242333.db2.gz UNLQISZSEALWEB-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN Cc1nnsc1CNCC1(C)CC1 379394987 487242865 /nfs/dbraw/zinc/24/28/65/487242865.db2.gz YLNLDMMSLDLZBI-UHFFFAOYSA-N 0 3 197.307 1.736 20 0 ADADHN COC[C@@H](C)NCc1ccoc1C 379400747 487242997 /nfs/dbraw/zinc/24/29/97/487242997.db2.gz JHQALIPPCDAPJK-MRVPVSSYSA-N 0 3 183.251 1.713 20 0 ADADHN CC(C)CCN1CC[C@](F)(CO)C1 379408544 487243503 /nfs/dbraw/zinc/24/35/03/487243503.db2.gz BAPVJDPIPCKWEH-SNVBAGLBSA-N 0 3 189.274 1.439 20 0 ADADHN CC(C)CCN1CC[C@@](F)(CO)C1 379408543 487244076 /nfs/dbraw/zinc/24/40/76/487244076.db2.gz BAPVJDPIPCKWEH-JTQLQIEISA-N 0 3 189.274 1.439 20 0 ADADHN COC(C)(C)CN[C@H](C)c1cn[nH]c1 379507913 487244306 /nfs/dbraw/zinc/24/43/06/487244306.db2.gz NWDMBBXOHKBBEX-MRVPVSSYSA-N 0 3 197.282 1.485 20 0 ADADHN C[C@@H](CN(C)C)N[C@H](C)c1cn[nH]c1 379502160 487244351 /nfs/dbraw/zinc/24/43/51/487244351.db2.gz KXNWELLRKCNYNV-DTWKUNHWSA-N 0 3 196.298 1.010 20 0 ADADHN C[C@@H](CN(C)C)N[C@@H](C)c1cn[nH]c1 379502161 487244405 /nfs/dbraw/zinc/24/44/05/487244405.db2.gz KXNWELLRKCNYNV-IUCAKERBSA-N 0 3 196.298 1.010 20 0 ADADHN CC(C)=CCN[C@@](C)(C(N)=O)C(C)C 379513127 487244430 /nfs/dbraw/zinc/24/44/30/487244430.db2.gz URVWHJJFFOFZED-LLVKDONJSA-N 0 3 198.310 1.442 20 0 ADADHN CC(C)=CCN[C@](C)(C(N)=O)C(C)C 379513128 487244461 /nfs/dbraw/zinc/24/44/61/487244461.db2.gz URVWHJJFFOFZED-NSHDSACASA-N 0 3 198.310 1.442 20 0 ADADHN COC(C)(C)CN[C@@H](C)c1cn[nH]c1 379507914 487244493 /nfs/dbraw/zinc/24/44/93/487244493.db2.gz NWDMBBXOHKBBEX-QMMMGPOBSA-N 0 3 197.282 1.485 20 0 ADADHN CC[C@@H](C)N(CCO)Cc1cn[nH]c1 379506123 487244589 /nfs/dbraw/zinc/24/45/89/487244589.db2.gz PVRLFBSILGGHMC-SECBINFHSA-N 0 3 197.282 1.003 20 0 ADADHN CC[C@H](C)N(CCO)Cc1cn[nH]c1 379506124 487244602 /nfs/dbraw/zinc/24/46/02/487244602.db2.gz PVRLFBSILGGHMC-VIFPVBQESA-N 0 3 197.282 1.003 20 0 ADADHN CCCn1nccc1CNCCCF 379502105 487244694 /nfs/dbraw/zinc/24/46/94/487244694.db2.gz LLXLPVNHKCPIDO-UHFFFAOYSA-N 0 3 199.273 1.742 20 0 ADADHN Cc1cc([C@H](C)NC[C@@H](C)O)oc1C 379540631 487245044 /nfs/dbraw/zinc/24/50/44/487245044.db2.gz OXFGOCZNKGEUSW-BDAKNGLRSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@@H](C)NC[C@@H](C)O)oc1C 379540634 487245081 /nfs/dbraw/zinc/24/50/81/487245081.db2.gz OXFGOCZNKGEUSW-RKDXNWHRSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@H](C)NC[C@H](C)O)oc1C 379540633 487245093 /nfs/dbraw/zinc/24/50/93/487245093.db2.gz OXFGOCZNKGEUSW-IUCAKERBSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@@H](C)NC[C@H](C)O)oc1C 379540632 487245051 /nfs/dbraw/zinc/24/50/51/487245051.db2.gz OXFGOCZNKGEUSW-DTWKUNHWSA-N 0 3 197.278 1.928 20 0 ADADHN CCN(CC)Cc1ccc(OC)nn1 379583341 487245685 /nfs/dbraw/zinc/24/56/85/487245685.db2.gz MYXVDBGJDCDKJE-UHFFFAOYSA-N 0 3 195.266 1.327 20 0 ADADHN CC(C)NCC(=O)N(C)CCC1CC1 379580558 487245734 /nfs/dbraw/zinc/24/57/34/487245734.db2.gz ZDHLUWZVDSUBFT-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1cc([C@@H](C)NCCN(C)C)no1 379578032 487245883 /nfs/dbraw/zinc/24/58/83/487245883.db2.gz SLGKDHWEWFERDT-SECBINFHSA-N 0 3 197.282 1.195 20 0 ADADHN CO[C@H](C)CN[C@H](C)c1c[nH]nc1C 379594358 487246126 /nfs/dbraw/zinc/24/61/26/487246126.db2.gz COYDTDIYSJDVTD-HTQZYQBOSA-N 0 3 197.282 1.404 20 0 ADADHN C[C@H](O)CNC1(c2ccccc2)CC1 379601153 487246298 /nfs/dbraw/zinc/24/62/98/487246298.db2.gz LKVMYANDYZDURT-JTQLQIEISA-N 0 3 191.274 1.646 20 0 ADADHN CO[C@@H](C)CN[C@@H](C)c1c[nH]nc1C 379594362 487246450 /nfs/dbraw/zinc/24/64/50/487246450.db2.gz COYDTDIYSJDVTD-YUMQZZPRSA-N 0 3 197.282 1.404 20 0 ADADHN CO[C@H](C)CN[C@@H](C)c1c[nH]nc1C 379594360 487246457 /nfs/dbraw/zinc/24/64/57/487246457.db2.gz COYDTDIYSJDVTD-SFYZADRCSA-N 0 3 197.282 1.404 20 0 ADADHN C[C@@H](O)CNC1(c2ccccc2)CC1 379601156 487246476 /nfs/dbraw/zinc/24/64/76/487246476.db2.gz LKVMYANDYZDURT-SNVBAGLBSA-N 0 3 191.274 1.646 20 0 ADADHN CO[C@@H](C)CN[C@H](C)c1c[nH]nc1C 379594359 487246576 /nfs/dbraw/zinc/24/65/76/487246576.db2.gz COYDTDIYSJDVTD-JGVFFNPUSA-N 0 3 197.282 1.404 20 0 ADADHN CC(C)NCC(=O)N1CC[C@@H](C)[C@@H]1C 380589595 487248085 /nfs/dbraw/zinc/24/80/85/487248085.db2.gz CVTRJHNCJVZKTE-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C)[C@H](C)NC(=O)[C@H](C)NC 381840075 487248317 /nfs/dbraw/zinc/24/83/17/487248317.db2.gz DASDMTRSAPGLKC-VGMNWLOBSA-N 0 3 186.299 1.145 20 0 ADADHN CC(C)NCC(=O)N1CC[C@@H](C)[C@H]1C 380589586 487248425 /nfs/dbraw/zinc/24/84/25/487248425.db2.gz CVTRJHNCJVZKTE-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C)[C@@H](C)NC(=O)[C@H](C)NC 381840073 487248453 /nfs/dbraw/zinc/24/84/53/487248453.db2.gz DASDMTRSAPGLKC-HLTSFMKQSA-N 0 3 186.299 1.145 20 0 ADADHN CC(C)NCC(=O)N1CC[C@H](C)[C@H]1C 380589593 487248503 /nfs/dbraw/zinc/24/85/03/487248503.db2.gz CVTRJHNCJVZKTE-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)NCC(=O)N1CC[C@H](C)[C@@H]1C 380589590 487248527 /nfs/dbraw/zinc/24/85/27/487248527.db2.gz CVTRJHNCJVZKTE-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN C=C1CCN(C(=O)CNC(C)C)CC1 382585429 487250761 /nfs/dbraw/zinc/25/07/61/487250761.db2.gz SEEZXNKQRKIQLC-UHFFFAOYSA-N 0 3 196.294 1.163 20 0 ADADHN C[C@H](N(C)Cc1cn[nH]c1)C(C)(C)O 382874878 487251245 /nfs/dbraw/zinc/25/12/45/487251245.db2.gz QEMOIXWGSSVNAW-QMMMGPOBSA-N 0 3 197.282 1.001 20 0 ADADHN C[C@@H](N(C)Cc1cn[nH]c1)C(C)(C)O 382874877 487251899 /nfs/dbraw/zinc/25/18/99/487251899.db2.gz QEMOIXWGSSVNAW-MRVPVSSYSA-N 0 3 197.282 1.001 20 0 ADADHN CCCCn1cc([C@](C)(N)CC)nn1 384214570 487252598 /nfs/dbraw/zinc/25/25/98/487252598.db2.gz QARQMZUVNIWAKX-SNVBAGLBSA-N 0 3 196.298 1.662 20 0 ADADHN CCCCn1cc([C@@](C)(N)CC)nn1 384214569 487252784 /nfs/dbraw/zinc/25/27/84/487252784.db2.gz QARQMZUVNIWAKX-JTQLQIEISA-N 0 3 196.298 1.662 20 0 ADADHN CC[C@@](C)(N)c1cn(CC2CC2)nn1 384195794 487252827 /nfs/dbraw/zinc/25/28/27/487252827.db2.gz JHQMUJZJQOFVTI-SNVBAGLBSA-N 0 3 194.282 1.272 20 0 ADADHN CC[C@](C)(N)c1cn(CC2CC2)nn1 384195793 487252884 /nfs/dbraw/zinc/25/28/84/487252884.db2.gz JHQMUJZJQOFVTI-JTQLQIEISA-N 0 3 194.282 1.272 20 0 ADADHN CC/C=C\CNCc1cncn1CC 384895713 487254060 /nfs/dbraw/zinc/25/40/60/487254060.db2.gz MDEABPRLRMPYES-WAYWQWQTSA-N 0 3 193.294 1.959 20 0 ADADHN CC/C=C/CNCc1cncn1CC 384895700 487254082 /nfs/dbraw/zinc/25/40/82/487254082.db2.gz MDEABPRLRMPYES-AATRIKPKSA-N 0 3 193.294 1.959 20 0 ADADHN CN[C@@H](C)C(=O)N(C)[C@H](C)C1(C)CC1 385396228 487255854 /nfs/dbraw/zinc/25/58/54/487255854.db2.gz INOGPPZPXFCZDU-DTWKUNHWSA-N 0 3 198.310 1.241 20 0 ADADHN CN[C@@H](C)C(=O)N(C)[C@@H](C)C1(C)CC1 385396229 487255902 /nfs/dbraw/zinc/25/59/02/487255902.db2.gz INOGPPZPXFCZDU-IUCAKERBSA-N 0 3 198.310 1.241 20 0 ADADHN Cc1ccoc1CN(C)CCCO 388586701 487260518 /nfs/dbraw/zinc/26/05/18/487260518.db2.gz IRSSBOLDOZEOMW-UHFFFAOYSA-N 0 3 183.251 1.402 20 0 ADADHN CC[C@H]1CCC[C@H]1NC(=O)[C@H](C)NC 388584117 487260622 /nfs/dbraw/zinc/26/06/22/487260622.db2.gz GYHGLHHRMSSAHJ-LPEHRKFASA-N 0 3 198.310 1.289 20 0 ADADHN Cc1occc1CN(C)[C@H](C)CO 388667107 487260653 /nfs/dbraw/zinc/26/06/53/487260653.db2.gz WYRPESDGCUISEP-MRVPVSSYSA-N 0 3 183.251 1.401 20 0 ADADHN CC[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC 388584115 487260666 /nfs/dbraw/zinc/26/06/66/487260666.db2.gz GYHGLHHRMSSAHJ-GUBZILKMSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)NC 388584116 487260760 /nfs/dbraw/zinc/26/07/60/487260760.db2.gz GYHGLHHRMSSAHJ-IVZWLZJFSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)NC 388584113 487260865 /nfs/dbraw/zinc/26/08/65/487260865.db2.gz GYHGLHHRMSSAHJ-AEJSXWLSSA-N 0 3 198.310 1.289 20 0 ADADHN Cc1cc([C@H](C)N[C@H](C)CO)oc1C 388845307 487261917 /nfs/dbraw/zinc/26/19/17/487261917.db2.gz YJKQAVFPGRKNQA-BDAKNGLRSA-N 0 3 197.278 1.928 20 0 ADADHN Cc1cc([C@@H](C)N[C@H](C)CO)oc1C 388845308 487261976 /nfs/dbraw/zinc/26/19/76/487261976.db2.gz YJKQAVFPGRKNQA-RKDXNWHRSA-N 0 3 197.278 1.928 20 0 ADADHN CO[C@H](C)CNCc1cccnc1C 389198354 487262278 /nfs/dbraw/zinc/26/22/78/487262278.db2.gz BYNHYGKMLCLRSA-SECBINFHSA-N 0 3 194.278 1.515 20 0 ADADHN CO[C@@H](C)CNCc1cccnc1C 389198355 487262369 /nfs/dbraw/zinc/26/23/69/487262369.db2.gz BYNHYGKMLCLRSA-VIFPVBQESA-N 0 3 194.278 1.515 20 0 ADADHN CC[C@H]1CC[C@H](C)N1C(=O)[C@H](C)NC 389264750 487262716 /nfs/dbraw/zinc/26/27/16/487262716.db2.gz IZWKRMRHDASMJW-GUBZILKMSA-N 0 3 198.310 1.384 20 0 ADADHN CO[C@@H](C)CCN[C@@H](C)c1cn[nH]c1 389236826 487262769 /nfs/dbraw/zinc/26/27/69/487262769.db2.gz WISMWCQDEATADO-IUCAKERBSA-N 0 3 197.282 1.485 20 0 ADADHN CO[C@@H](C)CCN[C@H](C)c1cn[nH]c1 389236825 487263018 /nfs/dbraw/zinc/26/30/18/487263018.db2.gz WISMWCQDEATADO-DTWKUNHWSA-N 0 3 197.282 1.485 20 0 ADADHN CO[C@H](C)CCN[C@H](C)c1cn[nH]c1 389236827 487263119 /nfs/dbraw/zinc/26/31/19/487263119.db2.gz WISMWCQDEATADO-RKDXNWHRSA-N 0 3 197.282 1.485 20 0 ADADHN CC[C@H]1CC[C@@H](C)N1C(=O)[C@H](C)NC 389264752 487263172 /nfs/dbraw/zinc/26/31/72/487263172.db2.gz IZWKRMRHDASMJW-UTLUCORTSA-N 0 3 198.310 1.384 20 0 ADADHN CO[C@H](C)CCN[C@@H](C)c1cn[nH]c1 389236824 487263182 /nfs/dbraw/zinc/26/31/82/487263182.db2.gz WISMWCQDEATADO-BDAKNGLRSA-N 0 3 197.282 1.485 20 0 ADADHN Cc1cc([C@H](C)NCCN(C)C)no1 389324231 487264176 /nfs/dbraw/zinc/26/41/76/487264176.db2.gz SLGKDHWEWFERDT-VIFPVBQESA-N 0 3 197.282 1.195 20 0 ADADHN CC[C@H](CO)N(C)Cc1cccs1 393277094 487265165 /nfs/dbraw/zinc/26/51/65/487265165.db2.gz CZYZZRNSYCMTAT-SECBINFHSA-N 0 3 199.319 1.951 20 0 ADADHN CC[C@@H](CO)N(C)Cc1cccs1 393277095 487265614 /nfs/dbraw/zinc/26/56/14/487265614.db2.gz CZYZZRNSYCMTAT-VIFPVBQESA-N 0 3 199.319 1.951 20 0 ADADHN Cc1csc(CNCCC(N)=O)c1 393255492 487265683 /nfs/dbraw/zinc/26/56/83/487265683.db2.gz FEGZCTITZSEXIZ-UHFFFAOYSA-N 0 3 198.291 1.022 20 0 ADADHN C[C@@H](N)C(=O)NCC1(C2CC2)CCC1 393322106 487266255 /nfs/dbraw/zinc/26/62/55/487266255.db2.gz NAPOKXYPTCXBKV-MRVPVSSYSA-N 0 3 196.294 1.030 20 0 ADADHN CC[C@@H](C)CCNCc1ccn(C)n1 394400115 487269799 /nfs/dbraw/zinc/26/97/99/487269799.db2.gz FOKHBOZOFNLRAH-SNVBAGLBSA-N 0 3 195.310 1.946 20 0 ADADHN CC[C@H](C)CCNCc1ccn(C)n1 394400114 487269835 /nfs/dbraw/zinc/26/98/35/487269835.db2.gz FOKHBOZOFNLRAH-JTQLQIEISA-N 0 3 195.310 1.946 20 0 ADADHN CC[C@@H](C)CCNCc1cnnn1C 394394040 487270065 /nfs/dbraw/zinc/27/00/65/487270065.db2.gz BMRLUDKQPDMQID-SECBINFHSA-N 0 3 196.298 1.341 20 0 ADADHN CC[C@H](C)CCNCc1cnnn1C 394394041 487270091 /nfs/dbraw/zinc/27/00/91/487270091.db2.gz BMRLUDKQPDMQID-VIFPVBQESA-N 0 3 196.298 1.341 20 0 ADADHN CC[C@@H](C)CCNCc1ncc[nH]1 394443118 487270425 /nfs/dbraw/zinc/27/04/25/487270425.db2.gz FPRAAJKBQSDETI-SECBINFHSA-N 0 3 181.283 1.936 20 0 ADADHN CC[C@@H](C)CCNCc1cc[nH]n1 394438116 487270437 /nfs/dbraw/zinc/27/04/37/487270437.db2.gz BRWJENXOTJPNBL-SECBINFHSA-N 0 3 181.283 1.936 20 0 ADADHN CC[C@H](C)CCNCc1cn(C)nn1 394448185 487270610 /nfs/dbraw/zinc/27/06/10/487270610.db2.gz KEBVAZFZYGJYRT-VIFPVBQESA-N 0 3 196.298 1.341 20 0 ADADHN CC[C@@H](C)CCNCc1cn(C)nn1 394448184 487270689 /nfs/dbraw/zinc/27/06/89/487270689.db2.gz KEBVAZFZYGJYRT-SECBINFHSA-N 0 3 196.298 1.341 20 0 ADADHN CC[C@H](C)CCNCc1ncc[nH]1 394443120 487270703 /nfs/dbraw/zinc/27/07/03/487270703.db2.gz FPRAAJKBQSDETI-VIFPVBQESA-N 0 3 181.283 1.936 20 0 ADADHN CC[C@H](C)CCNCc1cc[nH]n1 394438120 487270739 /nfs/dbraw/zinc/27/07/39/487270739.db2.gz BRWJENXOTJPNBL-VIFPVBQESA-N 0 3 181.283 1.936 20 0 ADADHN CC1(C)CC(NCC(=O)NC2CC2)C1 395232596 487272380 /nfs/dbraw/zinc/27/23/80/487272380.db2.gz VIEABNOFAODZEU-UHFFFAOYSA-N 0 3 196.294 1.043 20 0 ADADHN CC[C@](C)(N)c1cn(CC(C)C)nn1 395267833 487272417 /nfs/dbraw/zinc/27/24/17/487272417.db2.gz OCTGFONTBYPDJT-JTQLQIEISA-N 0 3 196.298 1.518 20 0 ADADHN CC[C@@](C)(N)c1cn(CC(C)C)nn1 395267834 487272426 /nfs/dbraw/zinc/27/24/26/487272426.db2.gz OCTGFONTBYPDJT-SNVBAGLBSA-N 0 3 196.298 1.518 20 0 ADADHN C[C@H](NCCC1CC1)c1ccncn1 395892902 487273691 /nfs/dbraw/zinc/27/36/91/487273691.db2.gz LMPQBVOYRHYMHY-VIFPVBQESA-N 0 3 191.278 1.927 20 0 ADADHN C[C@@H](NCCC1CC1)c1ccncn1 395892901 487274118 /nfs/dbraw/zinc/27/41/18/487274118.db2.gz LMPQBVOYRHYMHY-SECBINFHSA-N 0 3 191.278 1.927 20 0 ADADHN C[C@H](NCC1(C)CC1)c1ccncn1 395923265 487274142 /nfs/dbraw/zinc/27/41/42/487274142.db2.gz UQVBFXQMVGKXRM-VIFPVBQESA-N 0 3 191.278 1.927 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1ccncn1 395923263 487274283 /nfs/dbraw/zinc/27/42/83/487274283.db2.gz UQVBFXQMVGKXRM-SECBINFHSA-N 0 3 191.278 1.927 20 0 ADADHN CN(CCC1(O)CCC1)[C@@H]1CCOC1 396927122 487276828 /nfs/dbraw/zinc/27/68/28/487276828.db2.gz VIXWVLXJVXREJY-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN CN(CCC1(O)CCC1)[C@H]1CCOC1 396927119 487276956 /nfs/dbraw/zinc/27/69/56/487276956.db2.gz VIXWVLXJVXREJY-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN CN(C)C1(CNCc2ccco2)CC1 397929544 487281448 /nfs/dbraw/zinc/28/14/48/487281448.db2.gz LQFHMRFLWMTGRY-UHFFFAOYSA-N 0 3 194.278 1.463 20 0 ADADHN CC[C@@H](C)NCc1cnc(C)o1 397933702 487281530 /nfs/dbraw/zinc/28/15/30/487281530.db2.gz VTCRYVMNEDTZAG-SSDOTTSWSA-N 0 3 168.240 1.871 20 0 ADADHN CC[C@H](C)NCc1cnc(C)o1 397933705 487281630 /nfs/dbraw/zinc/28/16/30/487281630.db2.gz VTCRYVMNEDTZAG-ZETCQYMHSA-N 0 3 168.240 1.871 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H](C)CCC1CC1 398194652 487283000 /nfs/dbraw/zinc/28/30/00/487283000.db2.gz SQFQGGRXIRKVHW-IUCAKERBSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H]1CC[C@H](CNCc2cc[nH]c2)O1 398155113 487283151 /nfs/dbraw/zinc/28/31/51/487283151.db2.gz IEKKRIFZEBVBPS-GXSJLCMTSA-N 0 3 194.278 1.672 20 0 ADADHN C[C@H](CCC1CC1)NC(=O)C(C)(C)N 398204025 487283197 /nfs/dbraw/zinc/28/31/97/487283197.db2.gz XGRRJAADSWYSHE-MRVPVSSYSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](CCC1CC1)NC(=O)C(C)(C)N 398204026 487283455 /nfs/dbraw/zinc/28/34/55/487283455.db2.gz XGRRJAADSWYSHE-QMMMGPOBSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CC[C@@H](CNCc2cc[nH]c2)O1 398155129 487283502 /nfs/dbraw/zinc/28/35/02/487283502.db2.gz IEKKRIFZEBVBPS-ONGXEEELSA-N 0 3 194.278 1.672 20 0 ADADHN C[C@@H]1CC[C@H](CNCc2cc[nH]c2)O1 398155124 487283542 /nfs/dbraw/zinc/28/35/42/487283542.db2.gz IEKKRIFZEBVBPS-MWLCHTKSSA-N 0 3 194.278 1.672 20 0 ADADHN C[C@@H]1CC[C@@H](CNCc2cc[nH]c2)O1 398155120 487283562 /nfs/dbraw/zinc/28/35/62/487283562.db2.gz IEKKRIFZEBVBPS-KOLCDFICSA-N 0 3 194.278 1.672 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H](C)CCC1CC1 398194649 487283603 /nfs/dbraw/zinc/28/36/03/487283603.db2.gz SQFQGGRXIRKVHW-BDAKNGLRSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](C)NC 399615453 487286912 /nfs/dbraw/zinc/28/69/12/487286912.db2.gz RNKRCNIJCMQPFR-KXUCPTDWSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H]1C[C@@H](C)CN1C(=O)[C@H](C)NC 399615458 487286921 /nfs/dbraw/zinc/28/69/21/487286921.db2.gz RNKRCNIJCMQPFR-UTLUCORTSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@]1(C)CCN(C(=O)[C@H](C)NC)C1 399295567 487287117 /nfs/dbraw/zinc/28/71/17/487287117.db2.gz JXQGGLIJGXDHRI-ONGXEEELSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](C)NC 399615455 487287127 /nfs/dbraw/zinc/28/71/27/487287127.db2.gz RNKRCNIJCMQPFR-LPEHRKFASA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@]1(C)CCN(C(=O)[C@H](C)NC)C1 399295565 487287138 /nfs/dbraw/zinc/28/71/38/487287138.db2.gz JXQGGLIJGXDHRI-GXSJLCMTSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H]1C[C@H](C)CN1C(=O)[C@H](C)NC 399615449 487287247 /nfs/dbraw/zinc/28/72/47/487287247.db2.gz RNKRCNIJCMQPFR-GUBZILKMSA-N 0 3 198.310 1.241 20 0 ADADHN Cn1nccc1CNCC1=CCCC1 401020609 487287706 /nfs/dbraw/zinc/28/77/06/487287706.db2.gz GNTHXIJZKIQZQH-UHFFFAOYSA-N 0 3 191.278 1.620 20 0 ADADHN Cn1cc(CNCC2=CCCC2)cn1 401037417 487287892 /nfs/dbraw/zinc/28/78/92/487287892.db2.gz PEZWJZODURDHIR-UHFFFAOYSA-N 0 3 191.278 1.620 20 0 ADADHN Cn1nncc1CNCC1=CCCC1 401151782 487288567 /nfs/dbraw/zinc/28/85/67/487288567.db2.gz LBUXSHGZSLYSEM-UHFFFAOYSA-N 0 3 192.266 1.015 20 0 ADADHN Cn1cncc1CNCC1=CCCC1 401072460 487288583 /nfs/dbraw/zinc/28/85/83/487288583.db2.gz ZLDGGIGBBYHVEJ-UHFFFAOYSA-N 0 3 191.278 1.620 20 0 ADADHN CCn1cc(CN[C@@H](C)C2CC2)nn1 404506207 487291846 /nfs/dbraw/zinc/29/18/46/487291846.db2.gz MIYHJUHKKHEDJN-QMMMGPOBSA-N 0 3 194.282 1.186 20 0 ADADHN CCC(CC)NCc1cn(CC)nn1 404487085 487291931 /nfs/dbraw/zinc/29/19/31/487291931.db2.gz CZBAWIWGQVDQQA-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CCn1cc(CNCC(C)(C)C)nn1 404489643 487291992 /nfs/dbraw/zinc/29/19/92/487291992.db2.gz GQLJDFZSXQJJMV-UHFFFAOYSA-N 0 3 196.298 1.434 20 0 ADADHN CCn1cc(CNC2CCCC2)nn1 404515251 487292036 /nfs/dbraw/zinc/29/20/36/487292036.db2.gz UXWLWPPYDOEGSK-UHFFFAOYSA-N 0 3 194.282 1.330 20 0 ADADHN CC[C@@H](C)CNCc1cn(CC)nn1 404507461 487292087 /nfs/dbraw/zinc/29/20/87/487292087.db2.gz NLATWQCUQFDTBU-SECBINFHSA-N 0 3 196.298 1.434 20 0 ADADHN CC[C@@H](C)NCc1cn(CC)nn1 404514547 487292123 /nfs/dbraw/zinc/29/21/23/487292123.db2.gz UNFOMHWUDUCREK-MRVPVSSYSA-N 0 3 182.271 1.186 20 0 ADADHN CCn1cc(CN[C@H](C)C(C)C)nn1 404516720 487292170 /nfs/dbraw/zinc/29/21/70/487292170.db2.gz WJLYWZPYJVRWMO-SECBINFHSA-N 0 3 196.298 1.432 20 0 ADADHN CC[C@H](C)NCc1cn(CC)nn1 404514548 487292187 /nfs/dbraw/zinc/29/21/87/487292187.db2.gz UNFOMHWUDUCREK-QMMMGPOBSA-N 0 3 182.271 1.186 20 0 ADADHN CCC[C@H](C)NCc1cn(CC)nn1 404513990 487292241 /nfs/dbraw/zinc/29/22/41/487292241.db2.gz TVUKKJWTAIJTBL-VIFPVBQESA-N 0 3 196.298 1.576 20 0 ADADHN CCn1cc(CN[C@H](C)C2CC2)nn1 404506205 487292302 /nfs/dbraw/zinc/29/23/02/487292302.db2.gz MIYHJUHKKHEDJN-MRVPVSSYSA-N 0 3 194.282 1.186 20 0 ADADHN CCn1cc(CN[C@@H](C)C(C)C)nn1 404516721 487292316 /nfs/dbraw/zinc/29/23/16/487292316.db2.gz WJLYWZPYJVRWMO-VIFPVBQESA-N 0 3 196.298 1.432 20 0 ADADHN CC[C@H](C)CNCc1cn(CC)nn1 404507463 487292334 /nfs/dbraw/zinc/29/23/34/487292334.db2.gz NLATWQCUQFDTBU-VIFPVBQESA-N 0 3 196.298 1.434 20 0 ADADHN CCC[C@@H](C)NCc1cn(CC)nn1 404513988 487292341 /nfs/dbraw/zinc/29/23/41/487292341.db2.gz TVUKKJWTAIJTBL-SECBINFHSA-N 0 3 196.298 1.576 20 0 ADADHN C1=CCC(CN2CCOCC2)C1 606250483 487302989 /nfs/dbraw/zinc/30/29/89/487302989.db2.gz LNHOSHQLFQNRNZ-UHFFFAOYSA-N 0 3 167.252 1.285 20 0 ADADHN CCN1CC[C@@H](N2CCCCC2)C1=O 606271339 487305618 /nfs/dbraw/zinc/30/56/18/487305618.db2.gz JHCOJFOKILKJPF-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN CCN1CC[C@H](N2CCCCC2)C1=O 606271338 487305628 /nfs/dbraw/zinc/30/56/28/487305628.db2.gz JHCOJFOKILKJPF-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN CC[C@H](N)C(=O)Nc1csc(C)c1 606274337 487306150 /nfs/dbraw/zinc/30/61/50/487306150.db2.gz RYZJBXYBOKXMMG-QMMMGPOBSA-N 0 3 198.291 1.732 20 0 ADADHN Cc1cc(NC(=O)C(C)(C)N)cs1 606274219 487306157 /nfs/dbraw/zinc/30/61/57/487306157.db2.gz HEPPIOCEIPCMOY-UHFFFAOYSA-N 0 3 198.291 1.732 20 0 ADADHN CC[C@@H](N)C(=O)Nc1csc(C)c1 606274336 487306239 /nfs/dbraw/zinc/30/62/39/487306239.db2.gz RYZJBXYBOKXMMG-MRVPVSSYSA-N 0 3 198.291 1.732 20 0 ADADHN CC[C@H](N)C(=O)N[C@@]1(C)CC1(C)C 642824355 487309388 /nfs/dbraw/zinc/30/93/88/487309388.db2.gz MMPFVGAJWWEHBY-XVKPBYJWSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@]1(C)CC1(C)C 642824353 487309576 /nfs/dbraw/zinc/30/95/76/487309576.db2.gz MMPFVGAJWWEHBY-OIBJUYFYSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@]1(C)CC1(C)C 642824352 487309653 /nfs/dbraw/zinc/30/96/53/487309653.db2.gz MMPFVGAJWWEHBY-GMSGAONNSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@]1(C)CC1(C)C 642824354 487309885 /nfs/dbraw/zinc/30/98/85/487309885.db2.gz MMPFVGAJWWEHBY-XCBNKYQSSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1ncncc1[C@H](C)NCCCF 655734081 487311714 /nfs/dbraw/zinc/31/17/14/487311714.db2.gz YYMUIBAQWGVMRM-QMMMGPOBSA-N 0 3 197.257 1.795 20 0 ADADHN FCCCN[C@H]1CCCn2ccnc21 655732943 487311831 /nfs/dbraw/zinc/31/18/31/487311831.db2.gz GSBWFFASEMWPCG-VIFPVBQESA-N 0 3 197.257 1.667 20 0 ADADHN Cc1ncncc1[C@@H](C)NCCCF 655734080 487311847 /nfs/dbraw/zinc/31/18/47/487311847.db2.gz YYMUIBAQWGVMRM-MRVPVSSYSA-N 0 3 197.257 1.795 20 0 ADADHN FCCCN[C@@H]1CCCn2ccnc21 655732939 487311852 /nfs/dbraw/zinc/31/18/52/487311852.db2.gz GSBWFFASEMWPCG-SECBINFHSA-N 0 3 197.257 1.667 20 0 ADADHN CC[C@H](C(=O)NC(C)(C)C)N(C)C 665696600 487314121 /nfs/dbraw/zinc/31/41/21/487314121.db2.gz CIAWLJHQHPUXDJ-MRVPVSSYSA-N 0 3 186.299 1.241 20 0 ADADHN CC[C@@H](C(=O)N(CC)C1CC1)N(C)C 665697679 487314179 /nfs/dbraw/zinc/31/41/79/487314179.db2.gz QTZVRSDQMTZJCN-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN CC[C@@H](C(=O)NC(C)(C)C)N(C)C 665696601 487314188 /nfs/dbraw/zinc/31/41/88/487314188.db2.gz CIAWLJHQHPUXDJ-QMMMGPOBSA-N 0 3 186.299 1.241 20 0 ADADHN CC[C@H](C(=O)N(CC)C1CC1)N(C)C 665697680 487314247 /nfs/dbraw/zinc/31/42/47/487314247.db2.gz QTZVRSDQMTZJCN-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC[C@@H](C(=O)NC1(C)CCC1)N(C)C 665778947 487314835 /nfs/dbraw/zinc/31/48/35/487314835.db2.gz MUMOVBGUAVNELQ-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C(=O)NC1(C)CCC1)N(C)C 665778946 487314866 /nfs/dbraw/zinc/31/48/66/487314866.db2.gz MUMOVBGUAVNELQ-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C(=O)NC1(CC)CC1)N(C)C 665913862 487316509 /nfs/dbraw/zinc/31/65/09/487316509.db2.gz QWGIKJALRQCXQW-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H](C(=O)NC1(CC)CC1)N(C)C 665913863 487316422 /nfs/dbraw/zinc/31/64/22/487316422.db2.gz QWGIKJALRQCXQW-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CCCN[C@H](C)c1cc2n(n1)CCC2 666079450 487319217 /nfs/dbraw/zinc/31/92/17/487319217.db2.gz WSTWEXOKCKDNGH-SECBINFHSA-N 0 3 193.294 1.890 20 0 ADADHN CCCN[C@@H](C)c1cc2n(n1)CCC2 666079451 487319600 /nfs/dbraw/zinc/31/96/00/487319600.db2.gz WSTWEXOKCKDNGH-VIFPVBQESA-N 0 3 193.294 1.890 20 0 ADADHN C[C@H](NCC1(C)CC1)c1ccn(C)n1 666107474 487319980 /nfs/dbraw/zinc/31/99/80/487319980.db2.gz IJHDGYIOFANRTQ-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1ccn(C)n1 666107473 487320029 /nfs/dbraw/zinc/32/00/29/487320029.db2.gz IJHDGYIOFANRTQ-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN C[C@H](NC1CC=CC1)c1ccn(C)n1 666097819 487320042 /nfs/dbraw/zinc/32/00/42/487320042.db2.gz SAALZMRJVNGSAJ-VIFPVBQESA-N 0 3 191.278 1.789 20 0 ADADHN C[C@@H](NC1CC=CC1)c1ccn(C)n1 666097814 487320112 /nfs/dbraw/zinc/32/01/12/487320112.db2.gz SAALZMRJVNGSAJ-SECBINFHSA-N 0 3 191.278 1.789 20 0 ADADHN CCn1ccc(CN[C@@H](C)C2CC2)n1 666195207 487323650 /nfs/dbraw/zinc/32/36/50/487323650.db2.gz OYKCYNDXHUXVCZ-VIFPVBQESA-N 0 3 193.294 1.791 20 0 ADADHN CCn1ccc(CN[C@H](C)C2CC2)n1 666195206 487323660 /nfs/dbraw/zinc/32/36/60/487323660.db2.gz OYKCYNDXHUXVCZ-SECBINFHSA-N 0 3 193.294 1.791 20 0 ADADHN CCn1ccc(CNC2CC(C)C2)n1 666196688 487324455 /nfs/dbraw/zinc/32/44/55/487324455.db2.gz OZDZQRNWOOCJCZ-UHFFFAOYSA-N 0 3 193.294 1.791 20 0 ADADHN CC[C@@H](C)NCc1ccn(CC)n1 666195574 487324563 /nfs/dbraw/zinc/32/45/63/487324563.db2.gz UADFCSUZEUBPAG-SECBINFHSA-N 0 3 181.283 1.791 20 0 ADADHN CC[C@H](C)NCc1ccn(CC)n1 666195575 487324606 /nfs/dbraw/zinc/32/46/06/487324606.db2.gz UADFCSUZEUBPAG-VIFPVBQESA-N 0 3 181.283 1.791 20 0 ADADHN CCn1ccc(CNC2CCCC2)n1 666195568 487324620 /nfs/dbraw/zinc/32/46/20/487324620.db2.gz OYYPZNRPLGBRSC-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN Cc1cc(CNC[C@H]2C[C@@H]2C)nn1C 666221615 487324854 /nfs/dbraw/zinc/32/48/54/487324854.db2.gz NLOBOSXRLZRGOL-WCBMZHEXSA-N 0 3 193.294 1.474 20 0 ADADHN CCCCNCc1cnc(CC)nc1 666214293 487324901 /nfs/dbraw/zinc/32/49/01/487324901.db2.gz HAHIGRYKBLSTJM-UHFFFAOYSA-N 0 3 193.294 1.929 20 0 ADADHN Cc1cc(CNC[C@@H]2C[C@@H]2C)nn1C 666221616 487324924 /nfs/dbraw/zinc/32/49/24/487324924.db2.gz NLOBOSXRLZRGOL-WPRPVWTQSA-N 0 3 193.294 1.474 20 0 ADADHN CCc1ncc(CN[C@H](C)CC)cn1 666214253 487325062 /nfs/dbraw/zinc/32/50/62/487325062.db2.gz HDMNTPPYMNINRR-SECBINFHSA-N 0 3 193.294 1.927 20 0 ADADHN CCc1ncc(CN[C@@H](C)CC)cn1 666214254 487325136 /nfs/dbraw/zinc/32/51/36/487325136.db2.gz HDMNTPPYMNINRR-VIFPVBQESA-N 0 3 193.294 1.927 20 0 ADADHN Cc1cc(CNCCC(C)C)nn1C 666214317 487325168 /nfs/dbraw/zinc/32/51/68/487325168.db2.gz QNKWRXXXCWKLCT-UHFFFAOYSA-N 0 3 195.310 1.864 20 0 ADADHN Cc1cc(CN[C@H](C)C2CC2)nn1C 666216333 487325182 /nfs/dbraw/zinc/32/51/82/487325182.db2.gz PYXWHHRJPWSXOT-SECBINFHSA-N 0 3 193.294 1.617 20 0 ADADHN Cc1cc(CN[C@@H](C)C2CC2)nn1C 666216338 487325223 /nfs/dbraw/zinc/32/52/23/487325223.db2.gz PYXWHHRJPWSXOT-VIFPVBQESA-N 0 3 193.294 1.617 20 0 ADADHN Cc1cc(CNC[C@H]2C[C@H]2C)nn1C 666221613 487325290 /nfs/dbraw/zinc/32/52/90/487325290.db2.gz NLOBOSXRLZRGOL-PSASIEDQSA-N 0 3 193.294 1.474 20 0 ADADHN Cc1cc(CNC[C@@H]2C[C@H]2C)nn1C 666221614 487325323 /nfs/dbraw/zinc/32/53/23/487325323.db2.gz NLOBOSXRLZRGOL-SCZZXKLOSA-N 0 3 193.294 1.474 20 0 ADADHN Cc1cc(CNCC(C)(C)C)nn1C 666234023 487325779 /nfs/dbraw/zinc/32/57/79/487325779.db2.gz DOUCUJLUJNSWKV-UHFFFAOYSA-N 0 3 195.310 1.864 20 0 ADADHN Cc1cc(CNCC2CCC2)nn1C 666236540 487325956 /nfs/dbraw/zinc/32/59/56/487325956.db2.gz WSLHFOGDSLNYII-UHFFFAOYSA-N 0 3 193.294 1.618 20 0 ADADHN CCN(CCO)Cc1ccoc1C 666292450 487326119 /nfs/dbraw/zinc/32/61/19/487326119.db2.gz CGTQFOOPDQMJIV-UHFFFAOYSA-N 0 3 183.251 1.402 20 0 ADADHN Cc1occc1CN(CCO)C(C)C 666293030 487326148 /nfs/dbraw/zinc/32/61/48/487326148.db2.gz ABHDLSZKKMLBQO-UHFFFAOYSA-N 0 3 197.278 1.791 20 0 ADADHN CCc1ncc(CN(CC)CC)cn1 666292520 487326253 /nfs/dbraw/zinc/32/62/53/487326253.db2.gz JFUXFMDQJLCDBM-UHFFFAOYSA-N 0 3 193.294 1.881 20 0 ADADHN Cc1cc(CNC2(C)CCC2)nn1C 666293485 487326307 /nfs/dbraw/zinc/32/63/07/487326307.db2.gz ZOJCBRDSAPAOEA-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN Cc1cc(CNCC2(C)CC2)nn1C 666288092 487326359 /nfs/dbraw/zinc/32/63/59/487326359.db2.gz SMDKTXNMJYBYFP-UHFFFAOYSA-N 0 3 193.294 1.618 20 0 ADADHN Cc1cc(CNC2CC(C)C2)nn1C 666288000 487326421 /nfs/dbraw/zinc/32/64/21/487326421.db2.gz FCQPWTAJJRGGMS-UHFFFAOYSA-N 0 3 193.294 1.617 20 0 ADADHN COC[C@H](C)N[C@@H]1C[C@H]1c1ccco1 666266950 487326467 /nfs/dbraw/zinc/32/64/67/487326467.db2.gz RAKNKIVQCJAHJP-IVZWLZJFSA-N 0 3 195.262 1.760 20 0 ADADHN CCc1ncc(CNCCCF)cn1 666288485 487326483 /nfs/dbraw/zinc/32/64/83/487326483.db2.gz WUUVEYZFNBZJOJ-UHFFFAOYSA-N 0 3 197.257 1.488 20 0 ADADHN Cc1cc(CNCCC2CC2)nn1C 666280848 487326489 /nfs/dbraw/zinc/32/64/89/487326489.db2.gz YQSIYBNDXXLKEJ-UHFFFAOYSA-N 0 3 193.294 1.618 20 0 ADADHN CCc1ncc(CN(C)C(C)C)cn1 666292444 487326511 /nfs/dbraw/zinc/32/65/11/487326511.db2.gz CAUZWOVPZREQFC-UHFFFAOYSA-N 0 3 193.294 1.879 20 0 ADADHN c1coc([C@@H]2C[C@H]2N[C@@H]2CCOC2)c1 666266963 487326523 /nfs/dbraw/zinc/32/65/23/487326523.db2.gz YHTTWHOOVAUGEM-OPRDCNLKSA-N 0 3 193.246 1.514 20 0 ADADHN COC[C@@H](C)N[C@@H]1C[C@H]1c1ccco1 666266951 487326554 /nfs/dbraw/zinc/32/65/54/487326554.db2.gz RAKNKIVQCJAHJP-OPRDCNLKSA-N 0 3 195.262 1.760 20 0 ADADHN CCCN(CCO)Cc1ccoc1C 666293032 487326588 /nfs/dbraw/zinc/32/65/88/487326588.db2.gz BIIJHCWYGIAXCW-UHFFFAOYSA-N 0 3 197.278 1.792 20 0 ADADHN Cc1cc(CNC2CC=CC2)nn1C 666287374 487326597 /nfs/dbraw/zinc/32/65/97/487326597.db2.gz OHYJLSPUNVKZPM-UHFFFAOYSA-N 0 3 191.278 1.537 20 0 ADADHN Cc1occc1CNCCN1CCC1 666290892 487326601 /nfs/dbraw/zinc/32/66/01/487326601.db2.gz PCLHFZKRSZTNGD-UHFFFAOYSA-N 0 3 194.278 1.383 20 0 ADADHN c1coc([C@@H]2C[C@H]2N[C@H]2CCOC2)c1 666266962 487326619 /nfs/dbraw/zinc/32/66/19/487326619.db2.gz YHTTWHOOVAUGEM-IVZWLZJFSA-N 0 3 193.246 1.514 20 0 ADADHN CCN(CCCO)Cc1ccoc1C 666315425 487327000 /nfs/dbraw/zinc/32/70/00/487327000.db2.gz KCOCVXQHVZRZQH-UHFFFAOYSA-N 0 3 197.278 1.792 20 0 ADADHN CCCN(C)Cc1cnc(CC)nc1 666293694 487327345 /nfs/dbraw/zinc/32/73/45/487327345.db2.gz VAFHNXIPAVPGOQ-UHFFFAOYSA-N 0 3 193.294 1.881 20 0 ADADHN CCC1(NCc2cc(C)n(C)n2)CC1 666385703 487327596 /nfs/dbraw/zinc/32/75/96/487327596.db2.gz XBRYQXBNMBXQJU-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN CC[C@@H](CO)N(C)Cc1ccoc1C 666383576 487327610 /nfs/dbraw/zinc/32/76/10/487327610.db2.gz JWEDQQRXCNORTP-NSHDSACASA-N 0 3 197.278 1.791 20 0 ADADHN Cc1occc1CN1CC[C@@H](O)[C@H]1C 666388835 487327791 /nfs/dbraw/zinc/32/77/91/487327791.db2.gz HMACNVCPXKOBFT-LDYMZIIASA-N 0 3 195.262 1.543 20 0 ADADHN CC[C@H](CO)N(C)Cc1ccoc1C 666383575 487327929 /nfs/dbraw/zinc/32/79/29/487327929.db2.gz JWEDQQRXCNORTP-LLVKDONJSA-N 0 3 197.278 1.791 20 0 ADADHN CCN(Cc1ccoc1C)[C@@H](C)CO 666383141 487328163 /nfs/dbraw/zinc/32/81/63/487328163.db2.gz GSBZIWUEDGOVTB-VIFPVBQESA-N 0 3 197.278 1.791 20 0 ADADHN CCN(Cc1ccoc1C)[C@H](C)CO 666379851 487328218 /nfs/dbraw/zinc/32/82/18/487328218.db2.gz GSBZIWUEDGOVTB-SECBINFHSA-N 0 3 197.278 1.791 20 0 ADADHN CCn1ccc(CNC[C@H]2C[C@@H]2C)n1 666409261 487328636 /nfs/dbraw/zinc/32/86/36/487328636.db2.gz HQOCIOKVYWBNLY-VHSXEESVSA-N 0 3 193.294 1.649 20 0 ADADHN CCn1ccc(CNC[C@@H]2C[C@H]2C)n1 666409262 487328723 /nfs/dbraw/zinc/32/87/23/487328723.db2.gz HQOCIOKVYWBNLY-ZJUUUORDSA-N 0 3 193.294 1.649 20 0 ADADHN CCn1ccc(CNCC2CC2)n1 666409282 487328776 /nfs/dbraw/zinc/32/87/76/487328776.db2.gz VWKFJBXZNMRYFC-UHFFFAOYSA-N 0 3 179.267 1.403 20 0 ADADHN CCn1ccc(CNC[C@H]2C[C@H]2C)n1 666409259 487328784 /nfs/dbraw/zinc/32/87/84/487328784.db2.gz HQOCIOKVYWBNLY-NXEZZACHSA-N 0 3 193.294 1.649 20 0 ADADHN CCn1ccc(CNC[C@@H]2C[C@@H]2C)n1 666409260 487328872 /nfs/dbraw/zinc/32/88/72/487328872.db2.gz HQOCIOKVYWBNLY-UWVGGRQHSA-N 0 3 193.294 1.649 20 0 ADADHN CCn1ccc(CNCC2(C)CC2)n1 666409287 487328955 /nfs/dbraw/zinc/32/89/55/487328955.db2.gz YMCSNQXSTSHLSJ-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN c1coc([C@@H]2C[C@H]2NC2CSC2)c1 666482157 487330508 /nfs/dbraw/zinc/33/05/08/487330508.db2.gz SGGVRZDBFGXYQG-RKDXNWHRSA-N 0 3 195.287 1.841 20 0 ADADHN Cc1ncc(CN(C)CC2CC2)n1C 667534406 487355950 /nfs/dbraw/zinc/35/59/50/487355950.db2.gz WYALALPRUCYFJE-UHFFFAOYSA-N 0 3 193.294 1.570 20 0 ADADHN Cc1ncc(CN(C)C(C)C)n1C 667472988 487355528 /nfs/dbraw/zinc/35/55/28/487355528.db2.gz YTTVMYMMJSDRHW-UHFFFAOYSA-N 0 3 181.283 1.569 20 0 ADADHN CCCN(C)Cc1cnc(C)n1C 667496446 487355637 /nfs/dbraw/zinc/35/56/37/487355637.db2.gz VCUAAPMOWMLXPT-UHFFFAOYSA-N 0 3 181.283 1.570 20 0 ADADHN CCN(CC)Cc1cnc(C)n1C 667470009 487355726 /nfs/dbraw/zinc/35/57/26/487355726.db2.gz MDLFHTQYOGBLPR-UHFFFAOYSA-N 0 3 181.283 1.570 20 0 ADADHN CC[C@H](C)N(C)Cc1cnc(C)n1C 667505704 487355744 /nfs/dbraw/zinc/35/57/44/487355744.db2.gz YAMBBPNXRXOJCR-VIFPVBQESA-N 0 3 195.310 1.959 20 0 ADADHN Cc1ncc(CN(C)CC(C)C)n1C 667496072 487355838 /nfs/dbraw/zinc/35/58/38/487355838.db2.gz HCELOYSMKTVSBF-UHFFFAOYSA-N 0 3 195.310 1.816 20 0 ADADHN CCN(CC)Cc1cnc2n1CCC2 667469971 487355855 /nfs/dbraw/zinc/35/58/55/487355855.db2.gz KSRIOHVGXDXGRG-UHFFFAOYSA-N 0 3 193.294 1.671 20 0 ADADHN CCCCN(C)Cc1cnc(C)n1C 667472962 487355992 /nfs/dbraw/zinc/35/59/92/487355992.db2.gz XPLLFXRIBHBIGS-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN CC[C@@H](C)N(C)Cc1cnc(C)n1C 667505703 487356023 /nfs/dbraw/zinc/35/60/23/487356023.db2.gz YAMBBPNXRXOJCR-SECBINFHSA-N 0 3 195.310 1.959 20 0 ADADHN CCCN(C)Cc1cnc2n1CCC2 667496114 487356082 /nfs/dbraw/zinc/35/60/82/487356082.db2.gz ITWGAOADYANLNI-UHFFFAOYSA-N 0 3 193.294 1.671 20 0 ADADHN CCCN(CC)Cc1cnc(C)n1C 667463410 487356117 /nfs/dbraw/zinc/35/61/17/487356117.db2.gz MFHUPDYNVOSWPP-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN CC(C)N(C)Cc1cnc2n1CCC2 667472992 487356184 /nfs/dbraw/zinc/35/61/84/487356184.db2.gz ZAZWMFZVLPOSSA-UHFFFAOYSA-N 0 3 193.294 1.670 20 0 ADADHN Cc1ncc(CN2CC[C@@H](C)C2)n1C 667554437 487356399 /nfs/dbraw/zinc/35/63/99/487356399.db2.gz VHIMVQDHZIYHDU-SECBINFHSA-N 0 3 193.294 1.570 20 0 ADADHN Cc1ncc(CN2CC[C@H](C)C2)n1C 667554438 487356457 /nfs/dbraw/zinc/35/64/57/487356457.db2.gz VHIMVQDHZIYHDU-VIFPVBQESA-N 0 3 193.294 1.570 20 0 ADADHN Cc1ncc(CN2CCC[C@H]2C)n1C 667618623 487356627 /nfs/dbraw/zinc/35/66/27/487356627.db2.gz CWADLHLALWMXKS-SECBINFHSA-N 0 3 193.294 1.713 20 0 ADADHN Cc1ncc(CN(C)C2CCC2)n1C 667647495 487356559 /nfs/dbraw/zinc/35/65/59/487356559.db2.gz XJCWJOOKQGOBOU-UHFFFAOYSA-N 0 3 193.294 1.713 20 0 ADADHN Cc1ncc(CN2CCC[C@@H]2C)n1C 667618624 487356716 /nfs/dbraw/zinc/35/67/16/487356716.db2.gz CWADLHLALWMXKS-VIFPVBQESA-N 0 3 193.294 1.713 20 0 ADADHN CC(C)CC(=O)NCC1(N(C)C)CC1 668046563 487358924 /nfs/dbraw/zinc/35/89/24/487358924.db2.gz LWBBJXRQLFMNSJ-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)C(=O)NCC1(N(C)C)CC1 668048272 487358996 /nfs/dbraw/zinc/35/89/96/487358996.db2.gz RPGSPFHIYSABOM-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCCC(=O)NCC1(N(C)C)CC1 668048246 487359003 /nfs/dbraw/zinc/35/90/03/487359003.db2.gz DSVAVTJLIJRGPR-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H](C)C(=O)NCC1(N(C)C)CC1 668048273 487359039 /nfs/dbraw/zinc/35/90/39/487359039.db2.gz RPGSPFHIYSABOM-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](CF)N[C@@H]1CO[C@H](C2CC2)C1 668174756 487361002 /nfs/dbraw/zinc/36/10/02/487361002.db2.gz WZBAIXNSJTUHTD-JEZHCXPESA-N 0 3 187.258 1.502 20 0 ADADHN C[C@H](CF)N[C@H]1CO[C@@H](C2CC2)C1 668174758 487361086 /nfs/dbraw/zinc/36/10/86/487361086.db2.gz WZBAIXNSJTUHTD-SZEHBUNVSA-N 0 3 187.258 1.502 20 0 ADADHN C[C@H](CF)N[C@H]1CO[C@H](C2CC2)C1 668174757 487361179 /nfs/dbraw/zinc/36/11/79/487361179.db2.gz WZBAIXNSJTUHTD-QNSHHTMESA-N 0 3 187.258 1.502 20 0 ADADHN C[C@H](CF)N[C@@H]1CO[C@@H](C2CC2)C1 668174755 487361260 /nfs/dbraw/zinc/36/12/60/487361260.db2.gz WZBAIXNSJTUHTD-FKTZTGRPSA-N 0 3 187.258 1.502 20 0 ADADHN Cc1ncc(CN(C)C(C)(C)C)n1C 668278165 487361867 /nfs/dbraw/zinc/36/18/67/487361867.db2.gz YYGPZVQEBBNEGI-UHFFFAOYSA-N 0 3 195.310 1.959 20 0 ADADHN CN(Cc1cnc[nH]1)CC1(C)CC1 668422232 487361932 /nfs/dbraw/zinc/36/19/32/487361932.db2.gz VCOVUVIIHBVUAF-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN C[C@@H]1C[C@H]1CN(C)Cc1c[nH]cn1 668422104 487362032 /nfs/dbraw/zinc/36/20/32/487362032.db2.gz QDVOZDXKKVXVTE-BDAKNGLRSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@@H]1C[C@H]1CN(C)Cc1cnc[nH]1 668422104 487362036 /nfs/dbraw/zinc/36/20/36/487362036.db2.gz QDVOZDXKKVXVTE-BDAKNGLRSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@H]1C[C@H]1CN(C)Cc1c[nH]cn1 668422106 487362299 /nfs/dbraw/zinc/36/22/99/487362299.db2.gz QDVOZDXKKVXVTE-IUCAKERBSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@H]1C[C@H]1CN(C)Cc1cnc[nH]1 668422106 487362303 /nfs/dbraw/zinc/36/23/03/487362303.db2.gz QDVOZDXKKVXVTE-IUCAKERBSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@@H]1C[C@@H]1CN(C)Cc1c[nH]cn1 668422107 487362341 /nfs/dbraw/zinc/36/23/41/487362341.db2.gz QDVOZDXKKVXVTE-RKDXNWHRSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@@H]1C[C@@H]1CN(C)Cc1cnc[nH]1 668422107 487362343 /nfs/dbraw/zinc/36/23/43/487362343.db2.gz QDVOZDXKKVXVTE-RKDXNWHRSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@H]1C[C@@H]1CN(C)Cc1c[nH]cn1 668422105 487362393 /nfs/dbraw/zinc/36/23/93/487362393.db2.gz QDVOZDXKKVXVTE-DTWKUNHWSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@H]1C[C@@H]1CN(C)Cc1cnc[nH]1 668422105 487362397 /nfs/dbraw/zinc/36/23/97/487362397.db2.gz QDVOZDXKKVXVTE-DTWKUNHWSA-N 0 3 179.267 1.498 20 0 ADADHN OC/C=C\CNCc1ccc(O)cc1 668490643 487363035 /nfs/dbraw/zinc/36/30/35/487363035.db2.gz YLTQQCGGTWYVQA-UPHRSURJSA-N 0 3 193.246 1.030 20 0 ADADHN OC/C=C/CNCc1ccc(O)cc1 668490642 487363299 /nfs/dbraw/zinc/36/32/99/487363299.db2.gz YLTQQCGGTWYVQA-OWOJBTEDSA-N 0 3 193.246 1.030 20 0 ADADHN CCn1cc(CNC[C@@H]2C[C@H]2C)nn1 668531707 487363680 /nfs/dbraw/zinc/36/36/80/487363680.db2.gz XWNRBRKJMVLLSY-BDAKNGLRSA-N 0 3 194.282 1.044 20 0 ADADHN CCn1cc(CNC[C@H]2C[C@H]2C)nn1 668531711 487363654 /nfs/dbraw/zinc/36/36/54/487363654.db2.gz XWNRBRKJMVLLSY-RKDXNWHRSA-N 0 3 194.282 1.044 20 0 ADADHN CCn1cc(CNC[C@H]2C[C@@H]2C)nn1 668531708 487363697 /nfs/dbraw/zinc/36/36/97/487363697.db2.gz XWNRBRKJMVLLSY-DTWKUNHWSA-N 0 3 194.282 1.044 20 0 ADADHN CCn1cc(CNC[C@@H]2C[C@@H]2C)nn1 668531710 487363844 /nfs/dbraw/zinc/36/38/44/487363844.db2.gz XWNRBRKJMVLLSY-IUCAKERBSA-N 0 3 194.282 1.044 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@H]2C[C@H]2C1 668675458 487365706 /nfs/dbraw/zinc/36/57/06/487365706.db2.gz CGKBGOMPGPVNBW-UWVGGRQHSA-N 0 3 191.278 1.560 20 0 ADADHN Cn1cccc1CN1CC[C@@H]2C[C@@H]2C1 668676811 487365912 /nfs/dbraw/zinc/36/59/12/487365912.db2.gz VPVMGQXBFGSCGZ-GHMZBOCLSA-N 0 3 190.290 1.867 20 0 ADADHN Cn1cccc1CN1CC[C@H]2C[C@H]2C1 668676813 487365961 /nfs/dbraw/zinc/36/59/61/487365961.db2.gz VPVMGQXBFGSCGZ-QWRGUYRKSA-N 0 3 190.290 1.867 20 0 ADADHN Cn1ccc(CN2CC[C@@H]3C[C@@H]3C2)c1 668677503 487366040 /nfs/dbraw/zinc/36/60/40/487366040.db2.gz QKUWONLJEYIMRN-VXGBXAGGSA-N 0 3 190.290 1.867 20 0 ADADHN Cn1ccc(CN2CC[C@H]3C[C@H]3C2)c1 668677502 487366073 /nfs/dbraw/zinc/36/60/73/487366073.db2.gz QKUWONLJEYIMRN-RYUDHWBXSA-N 0 3 190.290 1.867 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@@H]2C[C@@H]2C1 668675457 487366092 /nfs/dbraw/zinc/36/60/92/487366092.db2.gz CGKBGOMPGPVNBW-NXEZZACHSA-N 0 3 191.278 1.560 20 0 ADADHN C[C@H](O)C1(NCc2cncs2)CC1 668697825 487366125 /nfs/dbraw/zinc/36/61/25/487366125.db2.gz MPSFVPSMKISJNY-ZETCQYMHSA-N 0 3 198.291 1.146 20 0 ADADHN C[C@H](O)C1(NCc2ccccc2)CC1 668695618 487366140 /nfs/dbraw/zinc/36/61/40/487366140.db2.gz HIIVBEGYWBLREN-JTQLQIEISA-N 0 3 191.274 1.690 20 0 ADADHN C[C@@H](O)C1(NCc2ccncc2)CC1 668696532 487366252 /nfs/dbraw/zinc/36/62/52/487366252.db2.gz RDYRFDCOEXSIJE-SECBINFHSA-N 0 3 192.262 1.085 20 0 ADADHN C[C@H](O)C1(NCc2cccs2)CC1 668696193 487366292 /nfs/dbraw/zinc/36/62/92/487366292.db2.gz NHCNPBOCEHSUGN-QMMMGPOBSA-N 0 3 197.303 1.751 20 0 ADADHN C[C@H](O)C1(NCc2cccnc2)CC1 668695829 487366299 /nfs/dbraw/zinc/36/62/99/487366299.db2.gz JOQCQGVPMUYXCD-VIFPVBQESA-N 0 3 192.262 1.085 20 0 ADADHN C[C@@H](O)C1(NCc2cccnc2)CC1 668695826 487366335 /nfs/dbraw/zinc/36/63/35/487366335.db2.gz JOQCQGVPMUYXCD-SECBINFHSA-N 0 3 192.262 1.085 20 0 ADADHN C[C@@H](O)C1(NCc2cncs2)CC1 668697824 487366361 /nfs/dbraw/zinc/36/63/61/487366361.db2.gz MPSFVPSMKISJNY-SSDOTTSWSA-N 0 3 198.291 1.146 20 0 ADADHN C[C@@H](O)C1(NCc2ccsc2)CC1 668695005 487366460 /nfs/dbraw/zinc/36/64/60/487366460.db2.gz BIARCGWDZPFYIO-MRVPVSSYSA-N 0 3 197.303 1.751 20 0 ADADHN C[C@H](O)C1(NCc2ccsc2)CC1 668695007 487366468 /nfs/dbraw/zinc/36/64/68/487366468.db2.gz BIARCGWDZPFYIO-QMMMGPOBSA-N 0 3 197.303 1.751 20 0 ADADHN C[C@@H](O)C1(NCc2ccccn2)CC1 668696438 487366477 /nfs/dbraw/zinc/36/64/77/487366477.db2.gz PZLLHTLCBWQCCJ-SECBINFHSA-N 0 3 192.262 1.085 20 0 ADADHN C[C@@H](O)C1(NCc2cccs2)CC1 668696192 487366490 /nfs/dbraw/zinc/36/64/90/487366490.db2.gz NHCNPBOCEHSUGN-MRVPVSSYSA-N 0 3 197.303 1.751 20 0 ADADHN C[C@@H](O)C1(NCc2ccccc2)CC1 668695619 487366517 /nfs/dbraw/zinc/36/65/17/487366517.db2.gz HIIVBEGYWBLREN-SNVBAGLBSA-N 0 3 191.274 1.690 20 0 ADADHN C[C@H](O)C1(NCc2cccn2C)CC1 668697227 487366546 /nfs/dbraw/zinc/36/65/46/487366546.db2.gz XTXOIKCQBBDAHT-VIFPVBQESA-N 0 3 194.278 1.028 20 0 ADADHN C[C@H](O)C1(NCc2ccncc2)CC1 668696533 487366567 /nfs/dbraw/zinc/36/65/67/487366567.db2.gz RDYRFDCOEXSIJE-VIFPVBQESA-N 0 3 192.262 1.085 20 0 ADADHN C[C@H](O)C1(NCc2ccccn2)CC1 668696439 487366576 /nfs/dbraw/zinc/36/65/76/487366576.db2.gz PZLLHTLCBWQCCJ-VIFPVBQESA-N 0 3 192.262 1.085 20 0 ADADHN C[C@@H](O)C1(NCc2cccn2C)CC1 668697226 487366586 /nfs/dbraw/zinc/36/65/86/487366586.db2.gz XTXOIKCQBBDAHT-SECBINFHSA-N 0 3 194.278 1.028 20 0 ADADHN C[C@H](O)C1(NCc2ccn(C)c2)CC1 668698223 487366848 /nfs/dbraw/zinc/36/68/48/487366848.db2.gz XICXTMMUGPCLLS-VIFPVBQESA-N 0 3 194.278 1.028 20 0 ADADHN Cc1occc1CNC1([C@H](C)O)CC1 668699874 487366921 /nfs/dbraw/zinc/36/69/21/487366921.db2.gz IENRSQZTJPOXPQ-VIFPVBQESA-N 0 3 195.262 1.591 20 0 ADADHN C[C@@H](O)C1(NCc2ccn(C)c2)CC1 668698222 487366969 /nfs/dbraw/zinc/36/69/69/487366969.db2.gz XICXTMMUGPCLLS-SECBINFHSA-N 0 3 194.278 1.028 20 0 ADADHN Cc1occc1CNC1([C@@H](C)O)CC1 668699872 487367048 /nfs/dbraw/zinc/36/70/48/487367048.db2.gz IENRSQZTJPOXPQ-SECBINFHSA-N 0 3 195.262 1.591 20 0 ADADHN Oc1ccc(CN[C@H]2C[C@H](O)C2)cc1 668780588 487368465 /nfs/dbraw/zinc/36/84/65/487368465.db2.gz UDNJHMBBAXIEGE-HOMQSWHASA-N 0 3 193.246 1.005 20 0 ADADHN CN(Cc1ccco1)C1(CO)CCC1 668802689 487369097 /nfs/dbraw/zinc/36/90/97/487369097.db2.gz UKJOSCZTTRCFSE-UHFFFAOYSA-N 0 3 195.262 1.626 20 0 ADADHN CCn1cncc1CN(C)CC1CC1 669495623 487373921 /nfs/dbraw/zinc/37/39/21/487373921.db2.gz NHSXUMIABMDODB-UHFFFAOYSA-N 0 3 193.294 1.745 20 0 ADADHN CCn1cncc1CN(C)CC(C)C 669490080 487374016 /nfs/dbraw/zinc/37/40/16/487374016.db2.gz ZJOUUYNXTCTWKT-UHFFFAOYSA-N 0 3 195.310 1.991 20 0 ADADHN CC(C)CCN(C)CC[S@@](C)=O 145850599 582456381 /nfs/dbraw/zinc/45/63/81/582456381.db2.gz BSJGEDLNOFUDFM-LBPRGKRZSA-N 0 3 191.340 1.343 20 0 ADADHN CC(C)CCN(C)CC[S@](C)=O 145850819 582456434 /nfs/dbraw/zinc/45/64/34/582456434.db2.gz BSJGEDLNOFUDFM-GFCCVEGCSA-N 0 3 191.340 1.343 20 0 ADADHN CC(C)[C@@H](C)NCc1cocn1 393339216 582460177 /nfs/dbraw/zinc/46/01/77/582460177.db2.gz RWHVUNMSOWPONB-MRVPVSSYSA-N 0 3 168.240 1.809 20 0 ADADHN O[C@@H]1C=C(c2ccccc2)CNC1 238660805 582460574 /nfs/dbraw/zinc/46/05/74/582460574.db2.gz HMXWTHQEPNPQQZ-LLVKDONJSA-N 0 3 175.231 1.034 20 0 ADADHN CC(C)[C@H](C)NCc1cocn1 393339217 582460862 /nfs/dbraw/zinc/46/08/62/582460862.db2.gz RWHVUNMSOWPONB-QMMMGPOBSA-N 0 3 168.240 1.809 20 0 ADADHN Cl/C=C\CN1CCCC1 146013580 582473494 /nfs/dbraw/zinc/47/34/94/582473494.db2.gz UHANHTPFIIYXEC-ARJAWSKDSA-N 0 3 145.633 1.835 20 0 ADADHN CCC(CC)Nc1nc(C)cc(N)n1 891425557 582477965 /nfs/dbraw/zinc/47/79/65/582477965.db2.gz BJIHPQDYNKQNNP-UHFFFAOYSA-N 0 3 194.282 1.968 20 0 ADADHN CC(C)N1CCc2ncncc2C1 201338153 582482892 /nfs/dbraw/zinc/48/28/92/582482892.db2.gz MZTKXZXQROGVSJ-UHFFFAOYSA-N 0 3 177.251 1.243 20 0 ADADHN Cn1ccc(CN[C@H]2C=CCC2)c1 829348138 582483604 /nfs/dbraw/zinc/48/36/04/582483604.db2.gz REEFEWCWKAEJFD-NSHDSACASA-N 0 3 176.263 1.833 20 0 ADADHN Cn1ccc(CN[C@@H]2C=CCC2)c1 829348135 582483737 /nfs/dbraw/zinc/48/37/37/582483737.db2.gz REEFEWCWKAEJFD-LLVKDONJSA-N 0 3 176.263 1.833 20 0 ADADHN Cn1cnc(CNC2(C)CCC2)c1 306492597 582487000 /nfs/dbraw/zinc/48/70/00/582487000.db2.gz QJTJEVJENTWFIS-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CC(C)=CCCNCc1cc[nH]n1 308339404 582488607 /nfs/dbraw/zinc/48/86/07/582488607.db2.gz QEGXIXKMYAIKJW-UHFFFAOYSA-N 0 3 179.267 1.856 20 0 ADADHN CC[C@H](C)NCc1ccc(OC)cn1 892429472 582489307 /nfs/dbraw/zinc/48/93/07/582489307.db2.gz LBEQHIMYSLOKKF-VIFPVBQESA-N 0 3 194.278 1.978 20 0 ADADHN CCc1onc(C)c1CNC[C@@H](C)O 892440488 582489323 /nfs/dbraw/zinc/48/93/23/582489323.db2.gz CSJNJVDJBYIARG-SSDOTTSWSA-N 0 3 198.266 1.016 20 0 ADADHN CC[C@@H](C)NCc1ccc(OC)cn1 892429471 582489346 /nfs/dbraw/zinc/48/93/46/582489346.db2.gz LBEQHIMYSLOKKF-SECBINFHSA-N 0 3 194.278 1.978 20 0 ADADHN COCCNCc1cnc(F)c(C)c1 892429453 582489453 /nfs/dbraw/zinc/48/94/53/582489453.db2.gz KGMDPFMTGCDICA-UHFFFAOYSA-N 0 3 198.241 1.265 20 0 ADADHN CCc1onc(C)c1CNC[C@H](C)O 892440489 582489525 /nfs/dbraw/zinc/48/95/25/582489525.db2.gz CSJNJVDJBYIARG-ZETCQYMHSA-N 0 3 198.266 1.016 20 0 ADADHN COCCNCc1cnc(F)cc1C 892429939 582489542 /nfs/dbraw/zinc/48/95/42/582489542.db2.gz VPBOBRQPNUSGPB-UHFFFAOYSA-N 0 3 198.241 1.265 20 0 ADADHN CCCCNCc1ccc(OC)cn1 892479679 582490219 /nfs/dbraw/zinc/49/02/19/582490219.db2.gz KOBJQKQWDWWWFZ-UHFFFAOYSA-N 0 3 194.278 1.980 20 0 ADADHN Cc1cc(CNC2CC2)cnc1F 892482421 582490228 /nfs/dbraw/zinc/49/02/28/582490228.db2.gz RUCUIARFLZYXMH-UHFFFAOYSA-N 0 3 180.226 1.781 20 0 ADADHN CCc1onc(C)c1CNC1CC1 892482461 582490329 /nfs/dbraw/zinc/49/03/29/582490329.db2.gz SGDCDQMIBWVFGK-UHFFFAOYSA-N 0 3 180.251 1.797 20 0 ADADHN Cc1cc(F)ncc1CNC1CC1 892481016 582490476 /nfs/dbraw/zinc/49/04/76/582490476.db2.gz JSNRBSXNASGOET-UHFFFAOYSA-N 0 3 180.226 1.781 20 0 ADADHN CC[C@@H](C)CN[C@H](C)c1ncnn1C 393685342 582492910 /nfs/dbraw/zinc/49/29/10/582492910.db2.gz OPTPJCRXCRJCLR-RKDXNWHRSA-N 0 3 196.298 1.512 20 0 ADADHN COc1cc([C@@H](C)NC2CC2)ccn1 393686736 582493492 /nfs/dbraw/zinc/49/34/92/582493492.db2.gz DGLJMOJOYGOGLI-MRVPVSSYSA-N 0 3 192.262 1.903 20 0 ADADHN CCN(Cc1ccoc1)C[C@@H](C)O 393706568 582493515 /nfs/dbraw/zinc/49/35/15/582493515.db2.gz AIMQMEYRBQNYKE-SECBINFHSA-N 0 3 183.251 1.482 20 0 ADADHN CCN(Cc1cn[nH]c1)CC1CC1 393711443 582493971 /nfs/dbraw/zinc/49/39/71/582493971.db2.gz LUMKWAOVQJTREM-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CC(C)(C)CCNC1(C(N)=O)CC1 393714125 582494036 /nfs/dbraw/zinc/49/40/36/582494036.db2.gz HCVMCMWVBBSTBA-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@@H](NCc1cocn1)C1CC1 393714482 582494066 /nfs/dbraw/zinc/49/40/66/582494066.db2.gz JPGWDXWARPTDCP-SNVBAGLBSA-N 0 3 180.251 1.953 20 0 ADADHN CCN(Cc1cn[nH]c1)CC(C)C 393715542 582494143 /nfs/dbraw/zinc/49/41/43/582494143.db2.gz PBTYHJCIBVTLKK-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CO[C@H]1CCN(CCC(F)(F)F)C1 393715140 582494150 /nfs/dbraw/zinc/49/41/50/582494150.db2.gz MGEUWPXHFXDRTM-ZETCQYMHSA-N 0 3 197.200 1.660 20 0 ADADHN CC[C@H](NCc1cocn1)C1CC1 393714481 582494342 /nfs/dbraw/zinc/49/43/42/582494342.db2.gz JPGWDXWARPTDCP-JTQLQIEISA-N 0 3 180.251 1.953 20 0 ADADHN CCc1onc(C)c1CN[C@H](C)CO 892669556 582495861 /nfs/dbraw/zinc/49/58/61/582495861.db2.gz UIVIZXFDQLMQFG-SSDOTTSWSA-N 0 3 198.266 1.016 20 0 ADADHN Cc1cc(N)nc(NCC2(C)CC2)n1 892797263 582496664 /nfs/dbraw/zinc/49/66/64/582496664.db2.gz ZUAQJWFHOXKSDP-UHFFFAOYSA-N 0 3 192.266 1.579 20 0 ADADHN Cc1cc(N)nc(NC2CC=CC2)n1 892915731 582497215 /nfs/dbraw/zinc/49/72/15/582497215.db2.gz DKFKADYQVREESW-UHFFFAOYSA-N 0 3 190.250 1.498 20 0 ADADHN Cn1nccc1CNC1(C2CC2)CC1 308505783 582497869 /nfs/dbraw/zinc/49/78/69/582497869.db2.gz FCKFHXOGUZVXPQ-UHFFFAOYSA-N 0 3 191.278 1.452 20 0 ADADHN Cc1occc1CN[C@@H](CO)C1CC1 840897137 582498707 /nfs/dbraw/zinc/49/87/07/582498707.db2.gz JVSASYWYELPBDH-NSHDSACASA-N 0 3 195.262 1.449 20 0 ADADHN Cc1occc1CN[C@H](CO)C1CC1 840897132 582498833 /nfs/dbraw/zinc/49/88/33/582498833.db2.gz JVSASYWYELPBDH-LLVKDONJSA-N 0 3 195.262 1.449 20 0 ADADHN CCc1onc(C)c1CN[C@@H](C)CO 893095794 582498996 /nfs/dbraw/zinc/49/89/96/582498996.db2.gz UIVIZXFDQLMQFG-ZETCQYMHSA-N 0 3 198.266 1.016 20 0 ADADHN COc1ccc(CNCCCF)nc1 893123935 582499202 /nfs/dbraw/zinc/49/92/02/582499202.db2.gz RFGMJWGFYAHEIK-UHFFFAOYSA-N 0 3 198.241 1.539 20 0 ADADHN CCn1cc(CNCCCF)c(C)n1 893124316 582499661 /nfs/dbraw/zinc/49/96/61/582499661.db2.gz WSNRYECAAMVZFX-UHFFFAOYSA-N 0 3 199.273 1.661 20 0 ADADHN C[C@H]1CC[C@H](CN2CCC[C@H](O)C2)O1 227372353 582501100 /nfs/dbraw/zinc/50/11/00/582501100.db2.gz RPFPIWNENJAAKZ-GARJFASQSA-N 0 3 199.294 1.011 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N(C)C(C)C 19518466 582503334 /nfs/dbraw/zinc/50/33/34/582503334.db2.gz IUIBSMQQOPGOJU-SECBINFHSA-N 0 3 186.299 1.227 20 0 ADADHN Cc1cc([C@@H](C)NCCO)c(C)o1 20596838 582506262 /nfs/dbraw/zinc/50/62/62/582506262.db2.gz UXNYWTXYLJJIHU-MRVPVSSYSA-N 0 3 183.251 1.539 20 0 ADADHN CC(C)N1CCC[C@@H]1C(=O)NC1CC1 218818406 582506660 /nfs/dbraw/zinc/50/66/60/582506660.db2.gz XUABKQPSMIRONY-SNVBAGLBSA-N 0 3 196.294 1.138 20 0 ADADHN Cc1ccc([C@@H](C)NCCN(C)C)o1 22219625 582506731 /nfs/dbraw/zinc/50/67/31/582506731.db2.gz LUARIILLGBJYQU-SNVBAGLBSA-N 0 3 196.294 1.800 20 0 ADADHN Cc1ccc([C@H](C)NCCN(C)C)o1 22219627 582506734 /nfs/dbraw/zinc/50/67/34/582506734.db2.gz LUARIILLGBJYQU-JTQLQIEISA-N 0 3 196.294 1.800 20 0 ADADHN C[C@H]1CC[C@@H](CN2CCC[C@H](O)C2)O1 227372345 582507714 /nfs/dbraw/zinc/50/77/14/582507714.db2.gz RPFPIWNENJAAKZ-DCAQKATOSA-N 0 3 199.294 1.011 20 0 ADADHN Cc1ncoc1CN1CCC[C@@H]1C 894022182 582508576 /nfs/dbraw/zinc/50/85/76/582508576.db2.gz UMRBFNMQPANNGP-QMMMGPOBSA-N 0 3 180.251 1.967 20 0 ADADHN Cc1ncoc1CN(C)CC1CC1 893966361 582509255 /nfs/dbraw/zinc/50/92/55/582509255.db2.gz PLNGKVTZZKXXHZ-UHFFFAOYSA-N 0 3 180.251 1.825 20 0 ADADHN Cc1ncoc1CN1CCC[C@H]1C 894022181 582509398 /nfs/dbraw/zinc/50/93/98/582509398.db2.gz UMRBFNMQPANNGP-MRVPVSSYSA-N 0 3 180.251 1.967 20 0 ADADHN CC/C=C\CNc1nc(C)cc(N)n1 894046899 582509577 /nfs/dbraw/zinc/50/95/77/582509577.db2.gz PEPWOGUKWARDIJ-PLNGDYQASA-N 0 3 192.266 1.745 20 0 ADADHN CC/C=C/CNc1nc(C)cc(N)n1 894046900 582510042 /nfs/dbraw/zinc/51/00/42/582510042.db2.gz PEPWOGUKWARDIJ-SNAWJCMRSA-N 0 3 192.266 1.745 20 0 ADADHN C[C@@H](NC1CC2(CCCC2)C1)C(N)=O 894068787 582510077 /nfs/dbraw/zinc/51/00/77/582510077.db2.gz ZZBIOXAASAXCBB-MRVPVSSYSA-N 0 3 196.294 1.173 20 0 ADADHN CCOCCCNCc1ocnc1C 894156752 582510501 /nfs/dbraw/zinc/51/05/01/582510501.db2.gz PIQTVPPWYIWZOV-UHFFFAOYSA-N 0 3 198.266 1.499 20 0 ADADHN COC[C@H](C)CNCc1ocnc1C 894208379 582511211 /nfs/dbraw/zinc/51/12/11/582511211.db2.gz HHOQOBOVCYDHHW-MRVPVSSYSA-N 0 3 198.266 1.355 20 0 ADADHN COC[C@@H](C)CNCc1ocnc1C 894208380 582511284 /nfs/dbraw/zinc/51/12/84/582511284.db2.gz HHOQOBOVCYDHHW-QMMMGPOBSA-N 0 3 198.266 1.355 20 0 ADADHN COCC[C@@H](C)NCc1ocnc1C 894210857 582511658 /nfs/dbraw/zinc/51/16/58/582511658.db2.gz HMRWWCDTUFVIMP-MRVPVSSYSA-N 0 3 198.266 1.498 20 0 ADADHN CCCN1CCCC[C@H]1C1OCCO1 726882188 582511781 /nfs/dbraw/zinc/51/17/81/582511781.db2.gz IKTRXFMFVRATAZ-JTQLQIEISA-N 0 3 199.294 1.624 20 0 ADADHN CCCN1CCCC[C@@H]1C1OCCO1 726882194 582511821 /nfs/dbraw/zinc/51/18/21/582511821.db2.gz IKTRXFMFVRATAZ-SNVBAGLBSA-N 0 3 199.294 1.624 20 0 ADADHN COCC[C@H](C)NCc1ocnc1C 894210860 582511859 /nfs/dbraw/zinc/51/18/59/582511859.db2.gz HMRWWCDTUFVIMP-QMMMGPOBSA-N 0 3 198.266 1.498 20 0 ADADHN Cc1ncoc1CNCC1(C)COC1 894256451 582512671 /nfs/dbraw/zinc/51/26/71/582512671.db2.gz QXIXSJWVPHZVGG-UHFFFAOYSA-N 0 3 196.250 1.109 20 0 ADADHN Cc1ncoc1CNC(C)(C)CCO 894266775 582513177 /nfs/dbraw/zinc/51/31/77/582513177.db2.gz YUTWHIDZLHWBBE-UHFFFAOYSA-N 0 3 198.266 1.234 20 0 ADADHN CC[C@@H](CCO)NCc1ocnc1C 894288970 582513533 /nfs/dbraw/zinc/51/35/33/582513533.db2.gz GKWJYJFUSAMINB-VIFPVBQESA-N 0 3 198.266 1.234 20 0 ADADHN CC[C@H](CCO)NCc1ocnc1C 894288968 582513577 /nfs/dbraw/zinc/51/35/77/582513577.db2.gz GKWJYJFUSAMINB-SECBINFHSA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CNCC1(C)CC1 894321310 582514019 /nfs/dbraw/zinc/51/40/19/582514019.db2.gz WULHDWJOMWQQMI-UHFFFAOYSA-N 0 3 180.251 1.873 20 0 ADADHN Cc1ncoc1CNC1CC(C)C1 894323851 582514025 /nfs/dbraw/zinc/51/40/25/582514025.db2.gz PODIDESSAPIYNL-UHFFFAOYSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1ncoc1CNCC(C)(C)CO 894360585 582514732 /nfs/dbraw/zinc/51/47/32/582514732.db2.gz ZSAZJDPEPINRAG-UHFFFAOYSA-N 0 3 198.266 1.091 20 0 ADADHN CC[C@](C)(CO)NCc1ocnc1C 894385649 582515173 /nfs/dbraw/zinc/51/51/73/582515173.db2.gz UYWQDJUFCIDNID-SNVBAGLBSA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CNC[C@H](C)N(C)C 894391178 582515198 /nfs/dbraw/zinc/51/51/98/582515198.db2.gz DCOYLZNUTWGJFA-QMMMGPOBSA-N 0 3 197.282 1.023 20 0 ADADHN CC[C@@](C)(CO)NCc1ocnc1C 894385648 582515210 /nfs/dbraw/zinc/51/52/10/582515210.db2.gz UYWQDJUFCIDNID-JTQLQIEISA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CNC[C@@H](C)N(C)C 894391168 582515263 /nfs/dbraw/zinc/51/52/63/582515263.db2.gz DCOYLZNUTWGJFA-MRVPVSSYSA-N 0 3 197.282 1.023 20 0 ADADHN Cc1ncoc1CN[C@H](C)C[C@@H](C)O 894436547 582515680 /nfs/dbraw/zinc/51/56/80/582515680.db2.gz HDAOATZWYMDUCB-HTQZYQBOSA-N 0 3 198.266 1.232 20 0 ADADHN Cc1cc(N)nc(N[C@H]2C=CCC2)n1 894522225 582515841 /nfs/dbraw/zinc/51/58/41/582515841.db2.gz DRDPQRVPDZQFJK-QMMMGPOBSA-N 0 3 190.250 1.498 20 0 ADADHN Cc1ncoc1CN[C@H](C)C[C@H](C)O 894436549 582515989 /nfs/dbraw/zinc/51/59/89/582515989.db2.gz HDAOATZWYMDUCB-SFYZADRCSA-N 0 3 198.266 1.232 20 0 ADADHN Cc1ncoc1CN[C@@H](C)C[C@@H](C)O 894436548 582516158 /nfs/dbraw/zinc/51/61/58/582516158.db2.gz HDAOATZWYMDUCB-JGVFFNPUSA-N 0 3 198.266 1.232 20 0 ADADHN Cc1cc(N)nc(N[C@@H]2C=CCC2)n1 894522224 582516328 /nfs/dbraw/zinc/51/63/28/582516328.db2.gz DRDPQRVPDZQFJK-MRVPVSSYSA-N 0 3 190.250 1.498 20 0 ADADHN Cc1ncoc1CNCCC(C)(C)O 894491539 582516399 /nfs/dbraw/zinc/51/63/99/582516399.db2.gz OKVAFBLSOZCIAV-UHFFFAOYSA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CN[C@@H](C)C[C@H](C)O 894436550 582516403 /nfs/dbraw/zinc/51/64/03/582516403.db2.gz HDAOATZWYMDUCB-YUMQZZPRSA-N 0 3 198.266 1.232 20 0 ADADHN Cc1ncoc1CNCCC[C@@H](C)O 894589767 582517065 /nfs/dbraw/zinc/51/70/65/582517065.db2.gz FRVABFGODMCMQH-MRVPVSSYSA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CNCCC[C@H](C)O 894589768 582517317 /nfs/dbraw/zinc/51/73/17/582517317.db2.gz FRVABFGODMCMQH-QMMMGPOBSA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CNCCCCCO 894595379 582517397 /nfs/dbraw/zinc/51/73/97/582517397.db2.gz BQJVOORTJAIRME-UHFFFAOYSA-N 0 3 198.266 1.235 20 0 ADADHN CC/C=C\CN[C@H](C)COC(C)=O 894702588 582517565 /nfs/dbraw/zinc/51/75/65/582517565.db2.gz JFSIWQZFWJHNMQ-SSJHQANKSA-N 0 3 185.267 1.494 20 0 ADADHN CC/C=C/CN[C@@H](C)COC(C)=O 894702587 582517567 /nfs/dbraw/zinc/51/75/67/582517567.db2.gz JFSIWQZFWJHNMQ-CYNONHLPSA-N 0 3 185.267 1.494 20 0 ADADHN FC1CCN(CCc2cn[nH]c2)CC1 880239943 582517747 /nfs/dbraw/zinc/51/77/47/582517747.db2.gz SYJZLZQJZZPBHT-UHFFFAOYSA-N 0 3 197.257 1.386 20 0 ADADHN CC/C=C\CN[C@@H](C)COC(C)=O 894702889 582517778 /nfs/dbraw/zinc/51/77/78/582517778.db2.gz JFSIWQZFWJHNMQ-UDIARPCQSA-N 0 3 185.267 1.494 20 0 ADADHN CC/C=C/CN[C@H](C)COC(C)=O 894702890 582517913 /nfs/dbraw/zinc/51/79/13/582517913.db2.gz JFSIWQZFWJHNMQ-VUHVRTRXSA-N 0 3 185.267 1.494 20 0 ADADHN CCC1CN(C[C@H]2COC(C)(C)O2)C1 894813934 582518363 /nfs/dbraw/zinc/51/83/63/582518363.db2.gz WHCZCXRIDIQDLH-JTQLQIEISA-N 0 3 199.294 1.480 20 0 ADADHN c1cc(CNC[C@H]2COCO2)cs1 894872087 582520187 /nfs/dbraw/zinc/52/01/87/582520187.db2.gz XPTFSNLLDIWKFL-VIFPVBQESA-N 0 3 199.275 1.211 20 0 ADADHN c1csc(CNC[C@H]2COCO2)c1 894871684 582520399 /nfs/dbraw/zinc/52/03/99/582520399.db2.gz VQEQSSWBRHDTAU-QMMMGPOBSA-N 0 3 199.275 1.211 20 0 ADADHN c1cc(CNC[C@@H]2COCO2)cs1 894872086 582520638 /nfs/dbraw/zinc/52/06/38/582520638.db2.gz XPTFSNLLDIWKFL-SECBINFHSA-N 0 3 199.275 1.211 20 0 ADADHN c1csc(CNC[C@@H]2COCO2)c1 894871683 582520661 /nfs/dbraw/zinc/52/06/61/582520661.db2.gz VQEQSSWBRHDTAU-MRVPVSSYSA-N 0 3 199.275 1.211 20 0 ADADHN Cc1ccoc1CNC[C@H]1COCO1 894876799 582520956 /nfs/dbraw/zinc/52/09/56/582520956.db2.gz SAJPDLAJGFQQFV-VIFPVBQESA-N 0 3 197.234 1.051 20 0 ADADHN Cc1ccoc1CNC[C@@H]1COCO1 894876798 582521066 /nfs/dbraw/zinc/52/10/66/582521066.db2.gz SAJPDLAJGFQQFV-SECBINFHSA-N 0 3 197.234 1.051 20 0 ADADHN C[C@@H]1CCCCN1CCF 307549102 582521098 /nfs/dbraw/zinc/52/10/98/582521098.db2.gz NCIISJVWOOJAFP-MRVPVSSYSA-N 0 3 145.221 1.830 20 0 ADADHN CC[C@@H](C)C(=O)[C@H](N)C1CC1 307649297 582521195 /nfs/dbraw/zinc/52/11/95/582521195.db2.gz GDBXVDDWTGXOTO-HTRCEHHLSA-N 0 3 155.241 1.339 20 0 ADADHN Cc1occc1CNC[C@H]1COCO1 894882410 582521307 /nfs/dbraw/zinc/52/13/07/582521307.db2.gz WIKJNXTVTIYLIE-JTQLQIEISA-N 0 3 197.234 1.051 20 0 ADADHN Cc1ncoc1CN[C@H](C)C1CC1 894881226 582521376 /nfs/dbraw/zinc/52/13/76/582521376.db2.gz TXBDHDAWRQMRQN-SSDOTTSWSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1occc1CNC[C@@H]1COCO1 894882411 582521646 /nfs/dbraw/zinc/52/16/46/582521646.db2.gz WIKJNXTVTIYLIE-SNVBAGLBSA-N 0 3 197.234 1.051 20 0 ADADHN CC(C)[C@@H]1C[C@H]1CNCc1c[nH]cn1 894910559 582522177 /nfs/dbraw/zinc/52/21/77/582522177.db2.gz WNKBSPRWMGKMQR-ONGXEEELSA-N 0 3 193.294 1.791 20 0 ADADHN CCO[C@H]1C[C@@H](NCc2c[nH]cn2)C1 894983922 582522326 /nfs/dbraw/zinc/52/23/26/582522326.db2.gz USUXFHKGSBILKQ-WAAGHKOSSA-N 0 3 195.266 1.067 20 0 ADADHN CCO[C@H]1C[C@@H](NCc2cnc[nH]2)C1 894983922 582522328 /nfs/dbraw/zinc/52/23/28/582522328.db2.gz USUXFHKGSBILKQ-WAAGHKOSSA-N 0 3 195.266 1.067 20 0 ADADHN OCCCN1CCCc2occc2C1 335131629 582524276 /nfs/dbraw/zinc/52/42/76/582524276.db2.gz DFDTXQJHBQHRJS-UHFFFAOYSA-N 0 3 195.262 1.410 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2cnccn2)C1 335145332 582524437 /nfs/dbraw/zinc/52/44/37/582524437.db2.gz AIBOFZWBWTUGJB-NXEZZACHSA-N 0 3 191.278 1.707 20 0 ADADHN CCCCCCN1CCC[C@@H]1C(N)=O 142632870 582524847 /nfs/dbraw/zinc/52/48/47/582524847.db2.gz CDZJYDRYPILKSE-SNVBAGLBSA-N 0 3 198.310 1.516 20 0 ADADHN CCCCCCN1CCC[C@H]1C(N)=O 142633081 582525122 /nfs/dbraw/zinc/52/51/22/582525122.db2.gz CDZJYDRYPILKSE-JTQLQIEISA-N 0 3 198.310 1.516 20 0 ADADHN CC(=O)OC[C@H](C)N[C@H]1C=CCC1 895338616 582526918 /nfs/dbraw/zinc/52/69/18/582526918.db2.gz SXFMVILOINZLRF-WPRPVWTQSA-N 0 3 183.251 1.246 20 0 ADADHN CC(C)=CCN[C@H]1C(=O)NCC1(C)C 895325765 582526929 /nfs/dbraw/zinc/52/69/29/582526929.db2.gz XKEWKCGIKXGVEI-VIFPVBQESA-N 0 3 196.294 1.067 20 0 ADADHN Cc1ncoc1CN1CC[C@H]2C[C@H]2C1 895327090 582527038 /nfs/dbraw/zinc/52/70/38/582527038.db2.gz KUVADWZAVCAPER-UWVGGRQHSA-N 0 3 192.262 1.825 20 0 ADADHN Cc1ncoc1CN1C[C@H]2C[C@H]2C1 895389255 582527667 /nfs/dbraw/zinc/52/76/67/582527667.db2.gz NQIJNLBUBCSSPE-DTORHVGOSA-N 0 3 178.235 1.435 20 0 ADADHN Cc1ncoc1CN1CC[C@@H]2C[C@@H]2C1 895327089 582527152 /nfs/dbraw/zinc/52/71/52/582527152.db2.gz KUVADWZAVCAPER-NXEZZACHSA-N 0 3 192.262 1.825 20 0 ADADHN CC(=O)OC[C@@H](C)N[C@H]1C=CCC1 895338614 582527173 /nfs/dbraw/zinc/52/71/73/582527173.db2.gz SXFMVILOINZLRF-SCZZXKLOSA-N 0 3 183.251 1.246 20 0 ADADHN CC(C)=CCN[C@@H]1C(=O)NCC1(C)C 895325764 582527352 /nfs/dbraw/zinc/52/73/52/582527352.db2.gz XKEWKCGIKXGVEI-SECBINFHSA-N 0 3 196.294 1.067 20 0 ADADHN C[C@H]1C[C@@H](O)CCN1Cc1ccco1 335892880 582527383 /nfs/dbraw/zinc/52/73/83/582527383.db2.gz PQLBMZCBYJBZHG-UWVGGRQHSA-N 0 3 195.262 1.625 20 0 ADADHN CC(=O)OC[C@H](C)N[C@@H]1C=CCC1 895338615 582527439 /nfs/dbraw/zinc/52/74/39/582527439.db2.gz SXFMVILOINZLRF-WCBMZHEXSA-N 0 3 183.251 1.246 20 0 ADADHN CC(=O)OC[C@@H](C)N[C@@H]1C=CCC1 895338612 582527454 /nfs/dbraw/zinc/52/74/54/582527454.db2.gz SXFMVILOINZLRF-PSASIEDQSA-N 0 3 183.251 1.246 20 0 ADADHN CC(=O)OC[C@H](C)NCC1=CCCC1 895437772 582528568 /nfs/dbraw/zinc/52/85/68/582528568.db2.gz YRXMYCYFFPJEPF-VIFPVBQESA-N 0 3 197.278 1.638 20 0 ADADHN CC(=O)OC[C@@H](C)NCC1=CCCC1 895437771 582528666 /nfs/dbraw/zinc/52/86/66/582528666.db2.gz YRXMYCYFFPJEPF-SECBINFHSA-N 0 3 197.278 1.638 20 0 ADADHN C[C@@H]1CC[C@@H](CN2CCCOCC2)O1 335753057 582528841 /nfs/dbraw/zinc/52/88/41/582528841.db2.gz QEXPAVUESOUTHO-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN C[C@@H]1CC[C@H](CN2CCCOCC2)O1 335753056 582528854 /nfs/dbraw/zinc/52/88/54/582528854.db2.gz QEXPAVUESOUTHO-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN Cc1ncoc1CN1CC[C@@H](CF)C1 895569009 582529238 /nfs/dbraw/zinc/52/92/38/582529238.db2.gz QIVMZNUEZVOYBU-VIFPVBQESA-N 0 3 198.241 1.774 20 0 ADADHN Cc1ncoc1CN1CC[C@H](CF)C1 895569008 582529249 /nfs/dbraw/zinc/52/92/49/582529249.db2.gz QIVMZNUEZVOYBU-SECBINFHSA-N 0 3 198.241 1.774 20 0 ADADHN Cn1cccc1CN1CC[C@H](CF)C1 895575907 582529269 /nfs/dbraw/zinc/52/92/69/582529269.db2.gz VXLJHNLELWXZOZ-SNVBAGLBSA-N 0 3 196.269 1.817 20 0 ADADHN Cn1cccc1CN1CC[C@@H](CF)C1 895575906 582529402 /nfs/dbraw/zinc/52/94/02/582529402.db2.gz VXLJHNLELWXZOZ-JTQLQIEISA-N 0 3 196.269 1.817 20 0 ADADHN CC1(C)CN(C[C@H]2COC(C)(C)O2)C1 895825021 582530862 /nfs/dbraw/zinc/53/08/62/582530862.db2.gz DCHDGZXMJNXMRP-VIFPVBQESA-N 0 3 199.294 1.480 20 0 ADADHN CN(CCCF)C[C@@H]1CCC=CO1 895896539 582531413 /nfs/dbraw/zinc/53/14/13/582531413.db2.gz WWFZBWBXARJUBM-JTQLQIEISA-N 0 3 187.258 1.971 20 0 ADADHN CN(CCCF)C[C@H]1CCC=CO1 895896540 582531457 /nfs/dbraw/zinc/53/14/57/582531457.db2.gz WWFZBWBXARJUBM-SNVBAGLBSA-N 0 3 187.258 1.971 20 0 ADADHN CC[C@@H](C(N)=O)N1CC[C@@](C)(CC)C1 399282680 582532264 /nfs/dbraw/zinc/53/22/64/582532264.db2.gz LQEYLAKVTGUHIT-GXSJLCMTSA-N 0 3 198.310 1.372 20 0 ADADHN COCCN1CCC(F)(F)CC1 113073003 582533547 /nfs/dbraw/zinc/53/35/47/582533547.db2.gz RDXIYHXCLIGMHM-UHFFFAOYSA-N 0 3 179.210 1.364 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC1 336476137 582536569 /nfs/dbraw/zinc/53/65/69/582536569.db2.gz WFHVOWOCDTZKEQ-NXEZZACHSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC1 336476138 582536610 /nfs/dbraw/zinc/53/66/10/582536610.db2.gz WFHVOWOCDTZKEQ-UWVGGRQHSA-N 0 3 196.294 1.092 20 0 ADADHN CCCC(=O)OCCN1CCCCC1 143285224 582537016 /nfs/dbraw/zinc/53/70/16/582537016.db2.gz XHUPFQIARIQLQA-UHFFFAOYSA-N 0 3 199.294 1.816 20 0 ADADHN CCO[C@H]1CCN(Cc2ccco2)C1 897071018 582538482 /nfs/dbraw/zinc/53/84/82/582538482.db2.gz LOONWQARQHSFTH-NSHDSACASA-N 0 3 195.262 1.890 20 0 ADADHN CCN1CCN(C/C=C\Cl)CC1 207173441 582542117 /nfs/dbraw/zinc/54/21/17/582542117.db2.gz XZYMUTUSHRCFCE-ARJAWSKDSA-N 0 3 188.702 1.376 20 0 ADADHN CC[C@@H](O)CCN[C@@H](C)c1cn[nH]c1 393676800 582545194 /nfs/dbraw/zinc/54/51/94/582545194.db2.gz ZQXDHNROQYNXLD-WCBMZHEXSA-N 0 3 197.282 1.221 20 0 ADADHN CC[C@H](O)CCN[C@H](C)c1cn[nH]c1 393676797 582545218 /nfs/dbraw/zinc/54/52/18/582545218.db2.gz ZQXDHNROQYNXLD-SCZZXKLOSA-N 0 3 197.282 1.221 20 0 ADADHN COc1cc([C@H](C)NC2CC2)ccn1 393686738 582545390 /nfs/dbraw/zinc/54/53/90/582545390.db2.gz DGLJMOJOYGOGLI-QMMMGPOBSA-N 0 3 192.262 1.903 20 0 ADADHN C[C@@H]1CC[C@@H](CNCc2c[nH]cn2)O1 148771080 582548372 /nfs/dbraw/zinc/54/83/72/582548372.db2.gz FBYHJWNCJSNJIX-SCZZXKLOSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1CC[C@@H](CNCc2cnc[nH]2)O1 148771080 582548373 /nfs/dbraw/zinc/54/83/73/582548373.db2.gz FBYHJWNCJSNJIX-SCZZXKLOSA-N 0 3 195.266 1.067 20 0 ADADHN Cc1occc1CN1C[C@@H](C)[C@@H](O)C1 897680513 582548377 /nfs/dbraw/zinc/54/83/77/582548377.db2.gz SCUXZAQLZDNHJM-KCJUWKMLSA-N 0 3 195.262 1.401 20 0 ADADHN Cc1occc1CN1C[C@H](C)[C@H](O)C1 897680512 582548385 /nfs/dbraw/zinc/54/83/85/582548385.db2.gz SCUXZAQLZDNHJM-GZMMTYOYSA-N 0 3 195.262 1.401 20 0 ADADHN Cc1occc1CN1C[C@H](C)[C@@H](O)C1 897680514 582548502 /nfs/dbraw/zinc/54/85/02/582548502.db2.gz SCUXZAQLZDNHJM-KWQFWETISA-N 0 3 195.262 1.401 20 0 ADADHN C[C@@H]1CC[C@H](CNCc2c[nH]cn2)O1 148770727 582548555 /nfs/dbraw/zinc/54/85/55/582548555.db2.gz FBYHJWNCJSNJIX-PSASIEDQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1CC[C@H](CNCc2cnc[nH]2)O1 148770727 582548558 /nfs/dbraw/zinc/54/85/58/582548558.db2.gz FBYHJWNCJSNJIX-PSASIEDQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1CC[C@H](CNCc2c[nH]cn2)O1 148770886 582548665 /nfs/dbraw/zinc/54/86/65/582548665.db2.gz FBYHJWNCJSNJIX-WCBMZHEXSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1CC[C@H](CNCc2cnc[nH]2)O1 148770886 582548667 /nfs/dbraw/zinc/54/86/67/582548667.db2.gz FBYHJWNCJSNJIX-WCBMZHEXSA-N 0 3 195.266 1.067 20 0 ADADHN Cc1ccoc1CN1C[C@H](C)[C@H](O)C1 897680927 582548881 /nfs/dbraw/zinc/54/88/81/582548881.db2.gz NHXWTPBWPYZFMV-VHSXEESVSA-N 0 3 195.262 1.401 20 0 ADADHN C[C@H]1CC[C@@H](CNCc2c[nH]cn2)O1 148771290 582549025 /nfs/dbraw/zinc/54/90/25/582549025.db2.gz FBYHJWNCJSNJIX-WPRPVWTQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1CC[C@@H](CNCc2cnc[nH]2)O1 148771290 582549026 /nfs/dbraw/zinc/54/90/26/582549026.db2.gz FBYHJWNCJSNJIX-WPRPVWTQSA-N 0 3 195.266 1.067 20 0 ADADHN Cc1ccoc1CN1C[C@@H](C)[C@@H](O)C1 897680928 582549045 /nfs/dbraw/zinc/54/90/45/582549045.db2.gz NHXWTPBWPYZFMV-ZJUUUORDSA-N 0 3 195.262 1.401 20 0 ADADHN Cc1occc1CN1C[C@@H](O)[C@H](C)C1 897680515 582549048 /nfs/dbraw/zinc/54/90/48/582549048.db2.gz SCUXZAQLZDNHJM-LDYMZIIASA-N 0 3 195.262 1.401 20 0 ADADHN Cc1ccoc1CN1C[C@@H](O)[C@H](C)C1 897680925 582549052 /nfs/dbraw/zinc/54/90/52/582549052.db2.gz NHXWTPBWPYZFMV-NXEZZACHSA-N 0 3 195.262 1.401 20 0 ADADHN Cc1ccoc1CN1C[C@H](C)[C@@H](O)C1 897680926 582549197 /nfs/dbraw/zinc/54/91/97/582549197.db2.gz NHXWTPBWPYZFMV-UWVGGRQHSA-N 0 3 195.262 1.401 20 0 ADADHN O[C@H](CCNCc1ccco1)C1CC1 898205955 582551178 /nfs/dbraw/zinc/55/11/78/582551178.db2.gz JAVPFPBJBBFXAN-LLVKDONJSA-N 0 3 195.262 1.530 20 0 ADADHN O[C@@H](CCNCc1ccco1)C1CC1 898205956 582551216 /nfs/dbraw/zinc/55/12/16/582551216.db2.gz JAVPFPBJBBFXAN-NSHDSACASA-N 0 3 195.262 1.530 20 0 ADADHN C[C@@H](NC/C=C/CO)c1ccccc1 238399381 582551535 /nfs/dbraw/zinc/55/15/35/582551535.db2.gz CJRXRFFOZWUZRU-MVIFTORASA-N 0 3 191.274 1.886 20 0 ADADHN CCN(C/C=C\Cl)CC(C)(C)O 211503288 582552650 /nfs/dbraw/zinc/55/26/50/582552650.db2.gz QZNKOJWCACPODV-WAYWQWQTSA-N 0 3 191.702 1.832 20 0 ADADHN CCCCN(C)Cc1[nH]ncc1C 379370904 582553058 /nfs/dbraw/zinc/55/30/58/582553058.db2.gz GWXNLFXLXUNRCX-UHFFFAOYSA-N 0 3 181.283 1.950 20 0 ADADHN CCOC[C@H](C)NC1(COC)CC1 379370394 582553092 /nfs/dbraw/zinc/55/30/92/582553092.db2.gz GELVDXIHNZVSDL-VIFPVBQESA-N 0 3 187.283 1.180 20 0 ADADHN CCOC[C@@H](C)NC1(COC)CC1 379370393 582553314 /nfs/dbraw/zinc/55/33/14/582553314.db2.gz GELVDXIHNZVSDL-SECBINFHSA-N 0 3 187.283 1.180 20 0 ADADHN CCC(CC)NCc1cn(C)cn1 379390904 582553470 /nfs/dbraw/zinc/55/34/70/582553470.db2.gz OOSLXAUIQLLOQX-UHFFFAOYSA-N 0 3 181.283 1.698 20 0 ADADHN CC(=O)OC[C@@H](C)NC/C=C/Cl 898426733 582553693 /nfs/dbraw/zinc/55/36/93/582553693.db2.gz HHGDKNQZKKFUJN-KGGZQZJCSA-N 0 3 191.658 1.280 20 0 ADADHN CO[C@H](C)[C@@H](C)NC/C=C\Cl 898424307 582553700 /nfs/dbraw/zinc/55/37/00/582553700.db2.gz DWEBYZFPCKKELT-ILFIBXKGSA-N 0 3 177.675 1.752 20 0 ADADHN CO[C@H](C)[C@@H](C)NC/C=C/Cl 898424308 582553706 /nfs/dbraw/zinc/55/37/06/582553706.db2.gz DWEBYZFPCKKELT-IVZJMYDKSA-N 0 3 177.675 1.752 20 0 ADADHN CC(=O)OC[C@H](C)NC/C=C\Cl 898426727 582553987 /nfs/dbraw/zinc/55/39/87/582553987.db2.gz HHGDKNQZKKFUJN-AVALRIAPSA-N 0 3 191.658 1.280 20 0 ADADHN CC(=O)OC[C@H](C)NC/C=C/Cl 898426735 582554004 /nfs/dbraw/zinc/55/40/04/582554004.db2.gz HHGDKNQZKKFUJN-SDLBARTOSA-N 0 3 191.658 1.280 20 0 ADADHN CO[C@H](C)[C@H](C)NC/C=C/Cl 898424309 582554107 /nfs/dbraw/zinc/55/41/07/582554107.db2.gz DWEBYZFPCKKELT-ODAVYXMRSA-N 0 3 177.675 1.752 20 0 ADADHN CO[C@H](C)[C@H](C)NC/C=C\Cl 898424306 582554157 /nfs/dbraw/zinc/55/41/57/582554157.db2.gz DWEBYZFPCKKELT-GBSWACPJSA-N 0 3 177.675 1.752 20 0 ADADHN CC(=O)OC[C@@H](C)NC/C=C\Cl 898426730 582554185 /nfs/dbraw/zinc/55/41/85/582554185.db2.gz HHGDKNQZKKFUJN-KFOINNEUSA-N 0 3 191.658 1.280 20 0 ADADHN Cn1cccc1CNC/C=C\Cl 898437032 582554412 /nfs/dbraw/zinc/55/44/12/582554412.db2.gz XVZMPZMOFXNMIA-HYXAFXHYSA-N 0 3 184.670 1.867 20 0 ADADHN Cc1cn[nH]c1CNCC=CCl 898434738 582554490 /nfs/dbraw/zinc/55/44/90/582554490.db2.gz XSLZXTTZGNRRKE-IHWYPQMZSA-N 0 3 185.658 1.560 20 0 ADADHN Cl/C=C\CNCc1cc[nH]c1 898435856 582554668 /nfs/dbraw/zinc/55/46/68/582554668.db2.gz OECRNMRBCNVERV-IWQZZHSRSA-N 0 3 170.643 1.857 20 0 ADADHN Cn1ccc(CNC/C=C/Cl)c1 898434884 582554703 /nfs/dbraw/zinc/55/47/03/582554703.db2.gz CKUBRLXQEAMABK-DUXPYHPUSA-N 0 3 184.670 1.867 20 0 ADADHN Cc1cn[nH]c1CNCC=CCl 898434739 582554723 /nfs/dbraw/zinc/55/47/23/582554723.db2.gz XSLZXTTZGNRRKE-NSCUHMNNSA-N 0 3 185.658 1.560 20 0 ADADHN Cn1cccc1CNC/C=C/Cl 898437031 582554884 /nfs/dbraw/zinc/55/48/84/582554884.db2.gz XVZMPZMOFXNMIA-HWKANZROSA-N 0 3 184.670 1.867 20 0 ADADHN Cl/C=C/CNCc1cc[nH]c1 898435855 582554907 /nfs/dbraw/zinc/55/49/07/582554907.db2.gz OECRNMRBCNVERV-HNQUOIGGSA-N 0 3 170.643 1.857 20 0 ADADHN Cn1ccc(CNC/C=C\Cl)c1 898434885 582554999 /nfs/dbraw/zinc/55/49/99/582554999.db2.gz CKUBRLXQEAMABK-RQOWECAXSA-N 0 3 184.670 1.867 20 0 ADADHN CC[C@@H](C(=O)NC[C@H]1C[C@H]1C)N(C)C 900203384 582571155 /nfs/dbraw/zinc/57/11/55/582571155.db2.gz HETHCMDGIWFGIP-BBBLOLIVSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@@H](C(=O)NC[C@@H]1C[C@H]1C)N(C)C 900203386 582571334 /nfs/dbraw/zinc/57/13/34/582571334.db2.gz HETHCMDGIWFGIP-UTLUCORTSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@@H](C(=O)NC[C@H]1C[C@@H]1C)N(C)C 900203383 582571406 /nfs/dbraw/zinc/57/14/06/582571406.db2.gz HETHCMDGIWFGIP-AEJSXWLSSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@@H](C(=O)NC[C@@H]1C[C@@H]1C)N(C)C 900203385 582571508 /nfs/dbraw/zinc/57/15/08/582571508.db2.gz HETHCMDGIWFGIP-GUBZILKMSA-N 0 3 198.310 1.099 20 0 ADADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C 157980965 582572235 /nfs/dbraw/zinc/57/22/35/582572235.db2.gz OTZXAIRKAYPKFK-IWSPIJDZSA-N 0 3 198.310 1.132 20 0 ADADHN CC1CC(Cn2cc([C@H](C)N)nn2)C1 900650351 582575043 /nfs/dbraw/zinc/57/50/43/582575043.db2.gz PDSRXVGLSYRWMC-MGURRDGZSA-N 0 3 194.282 1.344 20 0 ADADHN CC1CC(Cn2cc([C@@H](C)N)nn2)C1 900650353 582575079 /nfs/dbraw/zinc/57/50/79/582575079.db2.gz PDSRXVGLSYRWMC-QJAFJHJLSA-N 0 3 194.282 1.344 20 0 ADADHN Cc1ccoc1CNCC(C)(C)CO 158683150 582578613 /nfs/dbraw/zinc/57/86/13/582578613.db2.gz IZINNZWFBAQUQU-UHFFFAOYSA-N 0 3 197.278 1.696 20 0 ADADHN CN[C@H](C)c1cc(C)no1 901392135 582585029 /nfs/dbraw/zinc/58/50/29/582585029.db2.gz JNIIANINVIGFCO-ZCFIWIBFSA-N 0 3 140.186 1.263 20 0 ADADHN CN[C@@H](C)c1cc(C)no1 901392134 582585130 /nfs/dbraw/zinc/58/51/30/582585130.db2.gz JNIIANINVIGFCO-LURJTMIESA-N 0 3 140.186 1.263 20 0 ADADHN CO[C@H](C)SCCN(C)C 901508070 582587235 /nfs/dbraw/zinc/58/72/35/582587235.db2.gz MHTGOFMCZLHPKQ-ZETCQYMHSA-N 0 3 163.286 1.274 20 0 ADADHN CCO[C@H](C)SCCN(C)C 901508005 582587432 /nfs/dbraw/zinc/58/74/32/582587432.db2.gz KTYUOPBTHUYNAE-QMMMGPOBSA-N 0 3 177.313 1.664 20 0 ADADHN CCO[C@@H](C)SCCN(C)C 901508004 582587607 /nfs/dbraw/zinc/58/76/07/582587607.db2.gz KTYUOPBTHUYNAE-MRVPVSSYSA-N 0 3 177.313 1.664 20 0 ADADHN CO[C@@H](C)SCCN(C)C 901508069 582587644 /nfs/dbraw/zinc/58/76/44/582587644.db2.gz MHTGOFMCZLHPKQ-SSDOTTSWSA-N 0 3 163.286 1.274 20 0 ADADHN C[C@H](O)CCCN(C)Cc1ccco1 379665639 582592534 /nfs/dbraw/zinc/59/25/34/582592534.db2.gz WKGSMUQOKGSNIR-JTQLQIEISA-N 0 3 197.278 1.872 20 0 ADADHN C[C@@H](O)CCCN(C)Cc1ccco1 379665640 582592831 /nfs/dbraw/zinc/59/28/31/582592831.db2.gz WKGSMUQOKGSNIR-SNVBAGLBSA-N 0 3 197.278 1.872 20 0 ADADHN CCNc1ccccc1CNCCO 902037792 582593325 /nfs/dbraw/zinc/59/33/25/582593325.db2.gz PMJUZMUDCPZEIA-UHFFFAOYSA-N 0 3 194.278 1.200 20 0 ADADHN CNc1ccc(C)cc1CNCCO 902035523 582593342 /nfs/dbraw/zinc/59/33/42/582593342.db2.gz AOJMCZLTLDLGGP-UHFFFAOYSA-N 0 3 194.278 1.119 20 0 ADADHN C[C@@H]1CCN(CN2CCOC2=O)[C@@H]1C 902170421 582593894 /nfs/dbraw/zinc/59/38/94/582593894.db2.gz URYJTZXAIUBVRT-RKDXNWHRSA-N 0 3 198.266 1.126 20 0 ADADHN C[C@@H]1C[C@@H](C)N(CN2CCOC2=O)C1 902156399 582593971 /nfs/dbraw/zinc/59/39/71/582593971.db2.gz JAUMAZJISTWPAZ-RKDXNWHRSA-N 0 3 198.266 1.126 20 0 ADADHN C[C@H]1CCN(CN2CCOC2=O)[C@H]1C 902170420 582593977 /nfs/dbraw/zinc/59/39/77/582593977.db2.gz URYJTZXAIUBVRT-IUCAKERBSA-N 0 3 198.266 1.126 20 0 ADADHN C[C@H]1C[C@H](C)N(CN2CCOC2=O)C1 902156398 582593990 /nfs/dbraw/zinc/59/39/90/582593990.db2.gz JAUMAZJISTWPAZ-IUCAKERBSA-N 0 3 198.266 1.126 20 0 ADADHN CC[C@H]1CCCN1CN1CCOC1=O 902110413 582593999 /nfs/dbraw/zinc/59/39/99/582593999.db2.gz REXQFXCUABNNNY-VIFPVBQESA-N 0 3 198.266 1.271 20 0 ADADHN C[C@H]1C[C@@H](C)N(CN2CCOC2=O)C1 902156397 582594009 /nfs/dbraw/zinc/59/40/09/582594009.db2.gz JAUMAZJISTWPAZ-DTWKUNHWSA-N 0 3 198.266 1.126 20 0 ADADHN C[C@H]1[C@H](C)CCN1CN1CCOC1=O 902170418 582594092 /nfs/dbraw/zinc/59/40/92/582594092.db2.gz URYJTZXAIUBVRT-BDAKNGLRSA-N 0 3 198.266 1.126 20 0 ADADHN C[C@H]1CCN(CN2CCOC2=O)[C@@H]1C 902170419 582594142 /nfs/dbraw/zinc/59/41/42/582594142.db2.gz URYJTZXAIUBVRT-DTWKUNHWSA-N 0 3 198.266 1.126 20 0 ADADHN CC[C@@H]1CCCN1CN1CCOC1=O 902110412 582594240 /nfs/dbraw/zinc/59/42/40/582594240.db2.gz REXQFXCUABNNNY-SECBINFHSA-N 0 3 198.266 1.271 20 0 ADADHN C[C@H]1C[C@@H](C)CN1CN1CCOC1=O 902156396 582594536 /nfs/dbraw/zinc/59/45/36/582594536.db2.gz JAUMAZJISTWPAZ-BDAKNGLRSA-N 0 3 198.266 1.126 20 0 ADADHN C[C@H](NCCCON)c1ccccn1 902419208 582604656 /nfs/dbraw/zinc/60/46/56/582604656.db2.gz QCKFVSPJKCDHFL-VIFPVBQESA-N 0 3 195.266 1.013 20 0 ADADHN C[C@H](NCCCON)c1ccoc1 902419166 582604675 /nfs/dbraw/zinc/60/46/75/582604675.db2.gz OZENRINKPNPTEW-QMMMGPOBSA-N 0 3 184.239 1.211 20 0 ADADHN C[C@@H](NCCCON)c1ccccn1 902419207 582604731 /nfs/dbraw/zinc/60/47/31/582604731.db2.gz QCKFVSPJKCDHFL-SECBINFHSA-N 0 3 195.266 1.013 20 0 ADADHN C[C@@H](NCCCON)c1ccoc1 902419165 582604748 /nfs/dbraw/zinc/60/47/48/582604748.db2.gz OZENRINKPNPTEW-MRVPVSSYSA-N 0 3 184.239 1.211 20 0 ADADHN C[C@H](NCCCON)c1ccco1 902434643 582605109 /nfs/dbraw/zinc/60/51/09/582605109.db2.gz YGIODQKYVDGUFF-QMMMGPOBSA-N 0 3 184.239 1.211 20 0 ADADHN Cc1ccc([C@@H](C)NCCCON)o1 902431728 582605251 /nfs/dbraw/zinc/60/52/51/582605251.db2.gz NQXJPZSADOZMIZ-SECBINFHSA-N 0 3 198.266 1.519 20 0 ADADHN Cc1ccc([C@H](C)NCCCON)o1 902431730 582605269 /nfs/dbraw/zinc/60/52/69/582605269.db2.gz NQXJPZSADOZMIZ-VIFPVBQESA-N 0 3 198.266 1.519 20 0 ADADHN C[C@@H](NCCCON)c1ccco1 902434642 582605743 /nfs/dbraw/zinc/60/57/43/582605743.db2.gz YGIODQKYVDGUFF-MRVPVSSYSA-N 0 3 184.239 1.211 20 0 ADADHN COCCCN1CCC[C@H](F)C1 902995581 582619024 /nfs/dbraw/zinc/61/90/24/582619024.db2.gz NXKAHVMVCMKUEV-VIFPVBQESA-N 0 3 175.247 1.457 20 0 ADADHN COCCCN1CCC[C@@H](F)C1 902995579 582619270 /nfs/dbraw/zinc/61/92/70/582619270.db2.gz NXKAHVMVCMKUEV-SECBINFHSA-N 0 3 175.247 1.457 20 0 ADADHN CC1(CN2CCC[C@@H](F)C2)COC1 902993547 582619743 /nfs/dbraw/zinc/61/97/43/582619743.db2.gz UOVWFPUNBRRSAS-SECBINFHSA-N 0 3 187.258 1.457 20 0 ADADHN COC[C@@H](C)N1CCC[C@@H](F)C1 902992065 582619867 /nfs/dbraw/zinc/61/98/67/582619867.db2.gz GJURPFISHXXRSN-RKDXNWHRSA-N 0 3 175.247 1.455 20 0 ADADHN CC[C@@H](CN1CCC[C@H](F)C1)OC 902992419 582619908 /nfs/dbraw/zinc/61/99/08/582619908.db2.gz KTOZJYZSPMXLEI-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN F[C@@H]1CCCN(C[C@H]2CCOC2)C1 902996142 582620014 /nfs/dbraw/zinc/62/00/14/582620014.db2.gz QHHSSLIUHWNRNP-NXEZZACHSA-N 0 3 187.258 1.457 20 0 ADADHN COC[C@H](C)N1CCC[C@@H](F)C1 902992063 582620057 /nfs/dbraw/zinc/62/00/57/582620057.db2.gz GJURPFISHXXRSN-DTWKUNHWSA-N 0 3 175.247 1.455 20 0 ADADHN F[C@H]1CCCN(C[C@@H]2CCOC2)C1 902996143 582620117 /nfs/dbraw/zinc/62/01/17/582620117.db2.gz QHHSSLIUHWNRNP-UWVGGRQHSA-N 0 3 187.258 1.457 20 0 ADADHN F[C@H]1CCCN(C[C@H]2CCOC2)C1 902996145 582620146 /nfs/dbraw/zinc/62/01/46/582620146.db2.gz QHHSSLIUHWNRNP-ZJUUUORDSA-N 0 3 187.258 1.457 20 0 ADADHN CC[C@@H](CO)N1CCC[C@@H](F)C1 902992116 582620199 /nfs/dbraw/zinc/62/01/99/582620199.db2.gz HJFNARDFLCAYCA-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](CN1CCC[C@@H](F)C1)OC 902992418 582620206 /nfs/dbraw/zinc/62/02/06/582620206.db2.gz KTOZJYZSPMXLEI-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@H](CO)N1CCC[C@H](F)C1 902992117 582620293 /nfs/dbraw/zinc/62/02/93/582620293.db2.gz HJFNARDFLCAYCA-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H](CN1CCC[C@@H](F)C1)OC 902992422 582620317 /nfs/dbraw/zinc/62/03/17/582620317.db2.gz KTOZJYZSPMXLEI-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN COC[C@@H](C)N1CCC[C@H](F)C1 902992062 582620327 /nfs/dbraw/zinc/62/03/27/582620327.db2.gz GJURPFISHXXRSN-BDAKNGLRSA-N 0 3 175.247 1.455 20 0 ADADHN CC1(CN2CCC[C@H](F)C2)COC1 902993548 582620421 /nfs/dbraw/zinc/62/04/21/582620421.db2.gz UOVWFPUNBRRSAS-VIFPVBQESA-N 0 3 187.258 1.457 20 0 ADADHN COC[C@H](C)N1CCC[C@H](F)C1 902992064 582620557 /nfs/dbraw/zinc/62/05/57/582620557.db2.gz GJURPFISHXXRSN-IUCAKERBSA-N 0 3 175.247 1.455 20 0 ADADHN F[C@@H]1CCCN(C[C@@H]2CCOC2)C1 902996144 582620628 /nfs/dbraw/zinc/62/06/28/582620628.db2.gz QHHSSLIUHWNRNP-VHSXEESVSA-N 0 3 187.258 1.457 20 0 ADADHN CC[C@@H](CO)N1CCC[C@H](F)C1 902992118 582620684 /nfs/dbraw/zinc/62/06/84/582620684.db2.gz HJFNARDFLCAYCA-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](CO)N1CCC[C@@H](F)C1 902992119 582620802 /nfs/dbraw/zinc/62/08/02/582620802.db2.gz HJFNARDFLCAYCA-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](CN1CCC[C@H](F)C1)OC 902992420 582620886 /nfs/dbraw/zinc/62/08/86/582620886.db2.gz KTOZJYZSPMXLEI-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN CCOCCCN1CCC[C@H](F)C1 902998768 582620988 /nfs/dbraw/zinc/62/09/88/582620988.db2.gz PFYBVPZINPNBPR-JTQLQIEISA-N 0 3 189.274 1.847 20 0 ADADHN COCC[C@@H](C)N1CCC[C@@H](F)C1 902998820 582621059 /nfs/dbraw/zinc/62/10/59/582621059.db2.gz QHSSWGJZVUMTLD-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN FCCCN1CCC[C@@H](F)C1 902998903 582621160 /nfs/dbraw/zinc/62/11/60/582621160.db2.gz RQDNIUJNQGCJFG-MRVPVSSYSA-N 0 3 163.211 1.780 20 0 ADADHN CCOCCCN1CCC[C@@H](F)C1 902998769 582621311 /nfs/dbraw/zinc/62/13/11/582621311.db2.gz PFYBVPZINPNBPR-SNVBAGLBSA-N 0 3 189.274 1.847 20 0 ADADHN COCC[C@H](C)N1CCC[C@H](F)C1 902998821 582621322 /nfs/dbraw/zinc/62/13/22/582621322.db2.gz QHSSWGJZVUMTLD-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN FCCCN1CCC[C@H](F)C1 902998904 582621416 /nfs/dbraw/zinc/62/14/16/582621416.db2.gz RQDNIUJNQGCJFG-QMMMGPOBSA-N 0 3 163.211 1.780 20 0 ADADHN COCC[C@@H](C)N1CCC[C@H](F)C1 902998823 582621549 /nfs/dbraw/zinc/62/15/49/582621549.db2.gz QHSSWGJZVUMTLD-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN COCC[C@H](C)N1CCC[C@@H](F)C1 902998822 582621718 /nfs/dbraw/zinc/62/17/18/582621718.db2.gz QHSSWGJZVUMTLD-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN NOCCCNCc1ccccc1F 904457095 582638834 /nfs/dbraw/zinc/63/88/34/582638834.db2.gz NBCBUWBCWJSWIL-UHFFFAOYSA-N 0 3 198.241 1.196 20 0 ADADHN NCc1ccccc1NCC1CC1 904483377 582639269 /nfs/dbraw/zinc/63/92/69/582639269.db2.gz JBZIUOSHLSZMIZ-UHFFFAOYSA-N 0 3 176.263 1.967 20 0 ADADHN CCNC(=O)C(C)(C)N1CCCCC1 905053469 582642292 /nfs/dbraw/zinc/64/22/92/582642292.db2.gz ISSUKOZRAPJOFB-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC/C=C\CNC[C@@](C)(O)C(F)F 905272899 582646540 /nfs/dbraw/zinc/64/65/40/582646540.db2.gz LJRJJLQKMFKBOX-XRVBUDJMSA-N 0 3 193.237 1.558 20 0 ADADHN CC/C=C/CNC[C@](C)(O)C(F)F 905272896 582647220 /nfs/dbraw/zinc/64/72/20/582647220.db2.gz LJRJJLQKMFKBOX-MOVJSRMASA-N 0 3 193.237 1.558 20 0 ADADHN CC/C=C/CNC[C@@](C)(O)C(F)F 905272898 582647310 /nfs/dbraw/zinc/64/73/10/582647310.db2.gz LJRJJLQKMFKBOX-XNPJLODASA-N 0 3 193.237 1.558 20 0 ADADHN CC/C=C\CNC[C@](C)(O)C(F)F 905272897 582647329 /nfs/dbraw/zinc/64/73/29/582647329.db2.gz LJRJJLQKMFKBOX-WBSSQXGSSA-N 0 3 193.237 1.558 20 0 ADADHN CSC[C@@H](O)CNC/C=C/Cl 905708673 582652051 /nfs/dbraw/zinc/65/20/51/582652051.db2.gz RDKCJJCPPMKSHB-AIYRYJHASA-N 0 3 195.715 1.052 20 0 ADADHN CSC[C@H](O)CNC/C=C/Cl 905708675 582651721 /nfs/dbraw/zinc/65/17/21/582651721.db2.gz RDKCJJCPPMKSHB-TYWZFMJISA-N 0 3 195.715 1.052 20 0 ADADHN CSC[C@@H](O)CNC/C=C\Cl 905708676 582652173 /nfs/dbraw/zinc/65/21/73/582652173.db2.gz RDKCJJCPPMKSHB-XDVGHUOJSA-N 0 3 195.715 1.052 20 0 ADADHN CSC[C@H](O)CNC/C=C\Cl 905708674 582652217 /nfs/dbraw/zinc/65/22/17/582652217.db2.gz RDKCJJCPPMKSHB-SKRYNEFJSA-N 0 3 195.715 1.052 20 0 ADADHN CN(C)C(=O)C(C)(C)N1CCCCC1 905853469 582652579 /nfs/dbraw/zinc/65/25/79/582652579.db2.gz FKLFSFPOXZWXGC-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC1(C)CCN1C[C@@](C)(O)C(F)F 905951045 582653273 /nfs/dbraw/zinc/65/32/73/582653273.db2.gz TWJHJGIJYSCVBE-SECBINFHSA-N 0 3 193.237 1.487 20 0 ADADHN CC1(C)CCN1C[C@](C)(O)C(F)F 905951050 582653350 /nfs/dbraw/zinc/65/33/50/582653350.db2.gz TWJHJGIJYSCVBE-VIFPVBQESA-N 0 3 193.237 1.487 20 0 ADADHN CCCCNCc1cc(C)ncn1 906529991 582656057 /nfs/dbraw/zinc/65/60/57/582656057.db2.gz VEKOTPPJFPLYHY-UHFFFAOYSA-N 0 3 179.267 1.675 20 0 ADADHN CCCCNCc1nnc(C(C)C)[nH]1 906531413 582656788 /nfs/dbraw/zinc/65/67/88/582656788.db2.gz OYVQIIFECXXWJR-UHFFFAOYSA-N 0 3 196.298 1.818 20 0 ADADHN CCCC[NH2+]Cc1nnc(C(C)C)[n-]1 906531413 582656790 /nfs/dbraw/zinc/65/67/90/582656790.db2.gz OYVQIIFECXXWJR-UHFFFAOYSA-N 0 3 196.298 1.818 20 0 ADADHN CCCCNCc1ncccc1OC 906531033 582656872 /nfs/dbraw/zinc/65/68/72/582656872.db2.gz FFKIVIOISSOHPD-UHFFFAOYSA-N 0 3 194.278 1.980 20 0 ADADHN CCCCN1CC(C)(COC)C1 906530759 582657027 /nfs/dbraw/zinc/65/70/27/582657027.db2.gz BKDVXXUCKGDLHP-UHFFFAOYSA-N 0 3 171.284 1.755 20 0 ADADHN CCCCN1CC(C)(C(=O)OC)C1 906534396 582657646 /nfs/dbraw/zinc/65/76/46/582657646.db2.gz PRZGHXFTXBPVFX-UHFFFAOYSA-N 0 3 185.267 1.281 20 0 ADADHN CCCCNC1(C)COC1 906534551 582657816 /nfs/dbraw/zinc/65/78/16/582657816.db2.gz UDAXETPDKIDBOJ-UHFFFAOYSA-N 0 3 143.230 1.165 20 0 ADADHN CNCC(=O)NC[C@H](C)C(C)(C)C 149237579 582658473 /nfs/dbraw/zinc/65/84/73/582658473.db2.gz HUYIPBQFVQPSNC-QMMMGPOBSA-N 0 3 186.299 1.004 20 0 ADADHN C[C@@H](CNC(=O)C1(N)CC1)C(C)(C)C 149227455 582658702 /nfs/dbraw/zinc/65/87/02/582658702.db2.gz GXBVYEXNQDXNNK-QMMMGPOBSA-N 0 3 198.310 1.276 20 0 ADADHN CNCC(=O)NC[C@@H](C)C(C)(C)C 149237795 582658721 /nfs/dbraw/zinc/65/87/21/582658721.db2.gz HUYIPBQFVQPSNC-MRVPVSSYSA-N 0 3 186.299 1.004 20 0 ADADHN C[C@H](CNC(=O)C1(N)CC1)C(C)(C)C 149227680 582658746 /nfs/dbraw/zinc/65/87/46/582658746.db2.gz GXBVYEXNQDXNNK-MRVPVSSYSA-N 0 3 198.310 1.276 20 0 ADADHN Cc1ccc(CN[C@H](C)C[C@@H](C)O)o1 164596888 582659976 /nfs/dbraw/zinc/65/99/76/582659976.db2.gz APJAFRHQXVOOSD-RKDXNWHRSA-N 0 3 197.278 1.837 20 0 ADADHN C[C@@H](C[C@@H](C)O)NCc1ccco1 164596433 582660234 /nfs/dbraw/zinc/66/02/34/582660234.db2.gz BKPSXNQJMJSABA-DTWKUNHWSA-N 0 3 183.251 1.529 20 0 ADADHN CC(C)C[C@H](N)C(=O)NC[C@@H]1C[C@H]1C 157990500 582662964 /nfs/dbraw/zinc/66/29/64/582662964.db2.gz CVGXUIFNQAOPIU-UTLUCORTSA-N 0 3 198.310 1.132 20 0 ADADHN C[C@H]1C[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C 157981112 582662989 /nfs/dbraw/zinc/66/29/89/582662989.db2.gz OTZXAIRKAYPKFK-DJLDLDEBSA-N 0 3 198.310 1.132 20 0 ADADHN CC(C)C[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C 157990645 582663079 /nfs/dbraw/zinc/66/30/79/582663079.db2.gz CVGXUIFNQAOPIU-GUBZILKMSA-N 0 3 198.310 1.132 20 0 ADADHN CCC[C@](C)(N)C(=O)NC[C@H]1C[C@@H]1C 157989913 582663156 /nfs/dbraw/zinc/66/31/56/582663156.db2.gz UUZAVVUEIVZORU-NGZCFLSTSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)C[C@H](N)C(=O)NC[C@H]1C[C@@H]1C 157990347 582663258 /nfs/dbraw/zinc/66/32/58/582663258.db2.gz CVGXUIFNQAOPIU-AEJSXWLSSA-N 0 3 198.310 1.132 20 0 ADADHN C[C@H]1C[C@H]1CNC(=O)[C@@H](N)C(C)(C)C 157981390 582663279 /nfs/dbraw/zinc/66/32/79/582663279.db2.gz OTZXAIRKAYPKFK-XHNCKOQMSA-N 0 3 198.310 1.132 20 0 ADADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H](N)C(C)(C)C 157981252 582663377 /nfs/dbraw/zinc/66/33/77/582663377.db2.gz OTZXAIRKAYPKFK-HRDYMLBCSA-N 0 3 198.310 1.132 20 0 ADADHN CCC(=O)CCN1CCCC[C@@H]1CO 753706191 582665816 /nfs/dbraw/zinc/66/58/16/582665816.db2.gz YPSLKOQBGXJQPS-SNVBAGLBSA-N 0 3 199.294 1.202 20 0 ADADHN CCCN(CC)CC[S@](C)=O 827520287 582665961 /nfs/dbraw/zinc/66/59/61/582665961.db2.gz ABUHQOXOGFNGIM-NSHDSACASA-N 0 3 177.313 1.097 20 0 ADADHN CCCN(CC)CC[S@@](C)=O 827520286 582666018 /nfs/dbraw/zinc/66/60/18/582666018.db2.gz ABUHQOXOGFNGIM-LLVKDONJSA-N 0 3 177.313 1.097 20 0 ADADHN CCC(=O)CCN1CCCO[C@H](C)C1 753704569 582666034 /nfs/dbraw/zinc/66/60/34/582666034.db2.gz KUNWRSCXHISJKY-SNVBAGLBSA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCN1CCCO[C@@H](C)C1 753704568 582666043 /nfs/dbraw/zinc/66/60/43/582666043.db2.gz KUNWRSCXHISJKY-JTQLQIEISA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCN1CCCC[C@H]1CO 753706186 582666468 /nfs/dbraw/zinc/66/64/68/582666468.db2.gz YPSLKOQBGXJQPS-JTQLQIEISA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCN1CCC(C)(O)CC1 753740387 582666795 /nfs/dbraw/zinc/66/67/95/582666795.db2.gz ZHUQHMXTHJYYFR-UHFFFAOYSA-N 0 3 199.294 1.202 20 0 ADADHN CCC(C)(C)CNCc1ncnn1C 231398344 582673225 /nfs/dbraw/zinc/67/32/25/582673225.db2.gz CKOAPQSSRKDOLB-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN C/C=C/C(=O)NCCN(C)CCCC 732838927 582675934 /nfs/dbraw/zinc/67/59/34/582675934.db2.gz LOZBUVPUZNIFPF-FNORWQNLSA-N 0 3 198.310 1.411 20 0 ADADHN C/C=C\C(=O)NCCN(C)CCCC 732838926 582676208 /nfs/dbraw/zinc/67/62/08/582676208.db2.gz LOZBUVPUZNIFPF-ALCCZGGFSA-N 0 3 198.310 1.411 20 0 ADADHN CC(C)(C)CCN1CCCNC(=O)C1 732982663 582676717 /nfs/dbraw/zinc/67/67/17/582676717.db2.gz RWPOOXLBOOQFOF-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCNCC(=O)N1[C@H](C)CC[C@H]1CC 136118139 582677157 /nfs/dbraw/zinc/67/71/57/582677157.db2.gz OZEPILLOIGQTHS-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)C1(NCc2c[nH]cn2)CC1 378799087 582677315 /nfs/dbraw/zinc/67/73/15/582677315.db2.gz SKVPLWLDRSUUHU-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN OC[C@@H]1CCC[C@@H]1NCc1ccco1 164744589 582678782 /nfs/dbraw/zinc/67/87/82/582678782.db2.gz PLDGUGMIZPYQMB-ONGXEEELSA-N 0 3 195.262 1.530 20 0 ADADHN c1n[nH]nc1CN1CCCCCCC1 735363136 582684548 /nfs/dbraw/zinc/68/45/48/582684548.db2.gz IYKJKFLAXXLTOD-UHFFFAOYSA-N 0 3 194.282 1.571 20 0 ADADHN c1[nH]nnc1CN1CCCCCCC1 735363136 582684551 /nfs/dbraw/zinc/68/45/51/582684551.db2.gz IYKJKFLAXXLTOD-UHFFFAOYSA-N 0 3 194.282 1.571 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CC[C@H](C)C1 306180854 582690073 /nfs/dbraw/zinc/69/00/73/582690073.db2.gz SAYSJSARNHCYHP-WPRPVWTQSA-N 0 3 193.294 1.996 20 0 ADADHN CC[C@H](C)CN1CCN(CC)CC1 203896310 582693489 /nfs/dbraw/zinc/69/34/89/582693489.db2.gz BHWSFRWEYGCUQW-NSHDSACASA-N 0 3 184.327 1.670 20 0 ADADHN CCCC(=O)[C@@](C)(N)C1CC1 157931712 582695531 /nfs/dbraw/zinc/69/55/31/582695531.db2.gz OQUANTMTXIECIY-VIFPVBQESA-N 0 3 155.241 1.483 20 0 ADADHN CCCC(=O)[C@](C)(N)C1CC1 157931557 582695872 /nfs/dbraw/zinc/69/58/72/582695872.db2.gz OQUANTMTXIECIY-SECBINFHSA-N 0 3 155.241 1.483 20 0 ADADHN C[C@H]1CC[C@H](C(=O)NCCN(C)C)C1 201860419 582701212 /nfs/dbraw/zinc/70/12/12/582701212.db2.gz DQIAUPXTSACHFT-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN Cc1cccc([C@@H](O)CN(C)C)c1 19784764 582702904 /nfs/dbraw/zinc/70/29/04/582702904.db2.gz MWZGGBLWOOVGBW-NSHDSACASA-N 0 3 179.263 1.590 20 0 ADADHN Cc1cccc([C@H](O)CN(C)C)c1 19784763 582703342 /nfs/dbraw/zinc/70/33/42/582703342.db2.gz MWZGGBLWOOVGBW-LLVKDONJSA-N 0 3 179.263 1.590 20 0 ADADHN Cc1ccc(CN[C@@H](C)C[C@@H](C)O)o1 164596797 582704342 /nfs/dbraw/zinc/70/43/42/582704342.db2.gz APJAFRHQXVOOSD-DTWKUNHWSA-N 0 3 197.278 1.837 20 0 ADADHN C[C@@H](C[C@@H](C)O)NCc1cccnc1 164596045 582704480 /nfs/dbraw/zinc/70/44/80/582704480.db2.gz RTIIDKPZXGEMLB-VHSXEESVSA-N 0 3 194.278 1.331 20 0 ADADHN Cc1cc([C@H](C)NCCO)c(C)o1 20596839 582704655 /nfs/dbraw/zinc/70/46/55/582704655.db2.gz UXNYWTXYLJJIHU-QMMMGPOBSA-N 0 3 183.251 1.539 20 0 ADADHN C[C@@H](O)C[C@@H](C)NCc1cccnc1 164596157 582704758 /nfs/dbraw/zinc/70/47/58/582704758.db2.gz RTIIDKPZXGEMLB-NXEZZACHSA-N 0 3 194.278 1.331 20 0 ADADHN C[C@@H](O)C[C@@H](C)NCc1ccco1 164596501 582704835 /nfs/dbraw/zinc/70/48/35/582704835.db2.gz BKPSXNQJMJSABA-RKDXNWHRSA-N 0 3 183.251 1.529 20 0 ADADHN C[C@H](NCCO)c1cccc(O)c1 20597010 582704885 /nfs/dbraw/zinc/70/48/85/582704885.db2.gz FZBICMBAIVPNHD-QMMMGPOBSA-N 0 3 181.235 1.035 20 0 ADADHN C[C@H](O)C[C@H](C)NCc1ccco1 164596584 582704937 /nfs/dbraw/zinc/70/49/37/582704937.db2.gz BKPSXNQJMJSABA-IUCAKERBSA-N 0 3 183.251 1.529 20 0 ADADHN Cc1ccc(CN[C@@H](C)C[C@H](C)O)o1 164596973 582704983 /nfs/dbraw/zinc/70/49/83/582704983.db2.gz APJAFRHQXVOOSD-IUCAKERBSA-N 0 3 197.278 1.837 20 0 ADADHN C[C@H](O)C[C@@H](C)NCc1cccnc1 164596308 582705093 /nfs/dbraw/zinc/70/50/93/582705093.db2.gz RTIIDKPZXGEMLB-ZJUUUORDSA-N 0 3 194.278 1.331 20 0 ADADHN C[C@H](O)C[C@@H](C)NCc1ccco1 164596664 582705117 /nfs/dbraw/zinc/70/51/17/582705117.db2.gz BKPSXNQJMJSABA-BDAKNGLRSA-N 0 3 183.251 1.529 20 0 ADADHN Cc1ccc(CN[C@H](C)C[C@H](C)O)o1 164597037 582705151 /nfs/dbraw/zinc/70/51/51/582705151.db2.gz APJAFRHQXVOOSD-BDAKNGLRSA-N 0 3 197.278 1.837 20 0 ADADHN C[C@H](O)C[C@H](C)NCc1cccnc1 164596238 582705246 /nfs/dbraw/zinc/70/52/46/582705246.db2.gz RTIIDKPZXGEMLB-UWVGGRQHSA-N 0 3 194.278 1.331 20 0 ADADHN Cc1ccc([C@H](C)NCC(N)=O)cc1 21967727 582705493 /nfs/dbraw/zinc/70/54/93/582705493.db2.gz MOZRGWGVTOJKKG-VIFPVBQESA-N 0 3 192.262 1.131 20 0 ADADHN Cc1ccc([C@@H](C)NCC(N)=O)cc1 21967724 582705533 /nfs/dbraw/zinc/70/55/33/582705533.db2.gz MOZRGWGVTOJKKG-SECBINFHSA-N 0 3 192.262 1.131 20 0 ADADHN CN(C)CCNc1ncccc1Cl 21812928 582705729 /nfs/dbraw/zinc/70/57/29/582705729.db2.gz AGRCVAUSUAMNQP-UHFFFAOYSA-N 0 3 199.685 1.709 20 0 ADADHN C[C@H](NCCN(C)C)c1cccnc1 21955224 582705841 /nfs/dbraw/zinc/70/58/41/582705841.db2.gz RCAYQQGZGCJFOX-JTQLQIEISA-N 0 3 193.294 1.294 20 0 ADADHN C1CC1CN1CCN(CC2CC2)CC1 22590273 582705855 /nfs/dbraw/zinc/70/58/55/582705855.db2.gz GDUWWRNVGPFROY-UHFFFAOYSA-N 0 3 194.322 1.424 20 0 ADADHN CCCCNCc1nccn1CC 22861650 582706635 /nfs/dbraw/zinc/70/66/35/582706635.db2.gz CJAJSFWPNFBEEE-UHFFFAOYSA-N 0 3 181.283 1.793 20 0 ADADHN CC[C@H](C)C(=O)N(C)CCN(C)C 201774326 582707202 /nfs/dbraw/zinc/70/72/02/582707202.db2.gz QCRRHFGWXMSDCM-VIFPVBQESA-N 0 3 186.299 1.053 20 0 ADADHN C[C@@H]1CC[C@@H](C(=O)NCCN(C)C)C1 201860450 582707389 /nfs/dbraw/zinc/70/73/89/582707389.db2.gz DQIAUPXTSACHFT-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@H]1CC[C@@H](C(=O)NCCN(C)C)C1 201860479 582707506 /nfs/dbraw/zinc/70/75/06/582707506.db2.gz DQIAUPXTSACHFT-VHSXEESVSA-N 0 3 198.310 1.100 20 0 ADADHN CCCN1CCN(CC)[C@H](C)C1 200872578 582707692 /nfs/dbraw/zinc/70/76/92/582707692.db2.gz USGJSYWDVXHWOQ-SNVBAGLBSA-N 0 3 170.300 1.422 20 0 ADADHN CC[C@@H](C)C(=O)N(C)CCN(C)C 201774297 582707801 /nfs/dbraw/zinc/70/78/01/582707801.db2.gz QCRRHFGWXMSDCM-SECBINFHSA-N 0 3 186.299 1.053 20 0 ADADHN CCCN1CCN([C@H](C)CC)CC1 203821948 582708283 /nfs/dbraw/zinc/70/82/83/582708283.db2.gz AFGDYRFUHFVHLZ-LLVKDONJSA-N 0 3 184.327 1.813 20 0 ADADHN CC[C@@H](C)CN1CCN(CC)CC1 203896298 582708524 /nfs/dbraw/zinc/70/85/24/582708524.db2.gz BHWSFRWEYGCUQW-LLVKDONJSA-N 0 3 184.327 1.670 20 0 ADADHN CCCN1CCN([C@@H](C)CC)CC1 203821941 582708819 /nfs/dbraw/zinc/70/88/19/582708819.db2.gz AFGDYRFUHFVHLZ-NSHDSACASA-N 0 3 184.327 1.813 20 0 ADADHN CN(C)CCN(C)Cc1ccccn1 205196135 582710283 /nfs/dbraw/zinc/71/02/83/582710283.db2.gz POQDIYFIWFBBQQ-UHFFFAOYSA-N 0 3 193.294 1.075 20 0 ADADHN CCCNCc1cccc(OC)n1 51523627 582713832 /nfs/dbraw/zinc/71/38/32/582713832.db2.gz PSLMHGSICXIJSS-UHFFFAOYSA-N 0 3 180.251 1.590 20 0 ADADHN CC(C)=CCNCc1c(C)cnn1C 379666471 582714168 /nfs/dbraw/zinc/71/41/68/582714168.db2.gz XLAHBSQOBVFXLW-UHFFFAOYSA-N 0 3 193.294 1.784 20 0 ADADHN CC(C)CN(C)[C@H](C)C(=O)N(C)C 197115980 582714216 /nfs/dbraw/zinc/71/42/16/582714216.db2.gz PGCDGEBFYFARRV-SECBINFHSA-N 0 3 186.299 1.051 20 0 ADADHN CC(C)CN(C)[C@@H](C)C(=O)N(C)C 197115968 582714299 /nfs/dbraw/zinc/71/42/99/582714299.db2.gz PGCDGEBFYFARRV-VIFPVBQESA-N 0 3 186.299 1.051 20 0 ADADHN CC(C)C[C@@H](C)CN1CCN(C)CC1 389298697 582714971 /nfs/dbraw/zinc/71/49/71/582714971.db2.gz HSTGZZJTINVDLN-GFCCVEGCSA-N 0 3 198.354 1.916 20 0 ADADHN CC(C)C[C@H](C)CN1CCN(C)CC1 389298698 582715510 /nfs/dbraw/zinc/71/55/10/582715510.db2.gz HSTGZZJTINVDLN-LBPRGKRZSA-N 0 3 198.354 1.916 20 0 ADADHN CCCCN(C)[C@@H]1CCCCNC1=O 838500353 582719604 /nfs/dbraw/zinc/71/96/04/582719604.db2.gz UXSJTPRRTQGGIA-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCN(C)[C@H]1CCCCNC1=O 838500352 582719704 /nfs/dbraw/zinc/71/97/04/582719704.db2.gz UXSJTPRRTQGGIA-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCN(Cc1cnccn1)C1CCC1 838841743 582722331 /nfs/dbraw/zinc/72/23/31/582722331.db2.gz OIKRRQQXPPNHCV-UHFFFAOYSA-N 0 3 191.278 1.851 20 0 ADADHN CCN(Cc1cnccn1)C(C)C 838791449 582722454 /nfs/dbraw/zinc/72/24/54/582722454.db2.gz VQHPIZBXAATXDC-UHFFFAOYSA-N 0 3 179.267 1.707 20 0 ADADHN CCN(Cc1cnccn1)CC1CC1 838836446 582722536 /nfs/dbraw/zinc/72/25/36/582722536.db2.gz HTHGOXOIKKDXRF-UHFFFAOYSA-N 0 3 191.278 1.709 20 0 ADADHN CCn1ncc(CNC(C)(C)CC)n1 838924050 582722817 /nfs/dbraw/zinc/72/28/17/582722817.db2.gz YESJNKJGLCSPMD-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CCn1ncc(CNCC2CCC2)n1 838916242 582722982 /nfs/dbraw/zinc/72/29/82/582722982.db2.gz SYCFWUXZRNZRQG-UHFFFAOYSA-N 0 3 194.282 1.188 20 0 ADADHN CCC(CC)NCc1cnn(CC)n1 838891905 582723022 /nfs/dbraw/zinc/72/30/22/582723022.db2.gz SGKWZAAQVPHEJH-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CCn1ncc(CN[C@@H](C)C(C)C)n1 838896568 582723148 /nfs/dbraw/zinc/72/31/48/582723148.db2.gz YVPWQNIOEYTKSV-VIFPVBQESA-N 0 3 196.298 1.432 20 0 ADADHN CCn1ncc(CN[C@H](C)C(C)C)n1 838896567 582723492 /nfs/dbraw/zinc/72/34/92/582723492.db2.gz YVPWQNIOEYTKSV-SECBINFHSA-N 0 3 196.298 1.432 20 0 ADADHN CCn1ncc(CNCC(C)C)n1 838893073 582723978 /nfs/dbraw/zinc/72/39/78/582723978.db2.gz ZOPQWHKXXBTTBG-UHFFFAOYSA-N 0 3 182.271 1.044 20 0 ADADHN CC(C)C1(O)CN(CC2(C)CC2)C1 839133939 582725838 /nfs/dbraw/zinc/72/58/38/582725838.db2.gz ZCIOYCUMBJNMOQ-UHFFFAOYSA-N 0 3 183.295 1.489 20 0 ADADHN CCC(CC)CN1CC(OC)C1 839131592 582725932 /nfs/dbraw/zinc/72/59/32/582725932.db2.gz WZTIAQJYSMVMQH-UHFFFAOYSA-N 0 3 171.284 1.753 20 0 ADADHN CN(CC1OCCO1)C1CC(C)(C)C1 839191960 582727233 /nfs/dbraw/zinc/72/72/33/582727233.db2.gz NFFHYEIFCMLABL-UHFFFAOYSA-N 0 3 199.294 1.480 20 0 ADADHN CC[C@@H]1OCC[C@H]1NC/C=C\Cl 839200570 582728010 /nfs/dbraw/zinc/72/80/10/582728010.db2.gz VDIPEWPQRFJBMO-DEEBLQPQSA-N 0 3 189.686 1.896 20 0 ADADHN CC[C@@H]1OCC[C@H]1NC/C=C/Cl 839200574 582728697 /nfs/dbraw/zinc/72/86/97/582728697.db2.gz VDIPEWPQRFJBMO-ZHBVTVBMSA-N 0 3 189.686 1.896 20 0 ADADHN CCCN(CC(C)C)[C@@H]1CCOC1=O 839473852 582729316 /nfs/dbraw/zinc/72/93/16/582729316.db2.gz SNDIGOOAECGJTN-SNVBAGLBSA-N 0 3 199.294 1.670 20 0 ADADHN CCCN(CC(C)C)[C@H]1CCOC1=O 839473851 582729728 /nfs/dbraw/zinc/72/97/28/582729728.db2.gz SNDIGOOAECGJTN-JTQLQIEISA-N 0 3 199.294 1.670 20 0 ADADHN CCCCCCN1CCCNC(=O)C1 740876369 582730705 /nfs/dbraw/zinc/73/07/05/582730705.db2.gz SAWXHOLAAGXILV-UHFFFAOYSA-N 0 3 198.310 1.389 20 0 ADADHN C[C@H]1C[C@@H](C)CN(CC2OCCO2)C1 741155705 582731140 /nfs/dbraw/zinc/73/11/40/582731140.db2.gz MYDKGCCZSZRNHK-AOOOYVTPSA-N 0 3 199.294 1.337 20 0 ADADHN CC[C@@H]1CCCCN1CC1OCCO1 741155386 582731595 /nfs/dbraw/zinc/73/15/95/582731595.db2.gz FZXBJGGHDMTAFH-SNVBAGLBSA-N 0 3 199.294 1.624 20 0 ADADHN CC[C@H]1CCCCN1CC1OCCO1 741155385 582731630 /nfs/dbraw/zinc/73/16/30/582731630.db2.gz FZXBJGGHDMTAFH-JTQLQIEISA-N 0 3 199.294 1.624 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(CC2OCCO2)C1 741155706 582731852 /nfs/dbraw/zinc/73/18/52/582731852.db2.gz MYDKGCCZSZRNHK-NXEZZACHSA-N 0 3 199.294 1.337 20 0 ADADHN CN(CC1OCCO1)C1CCCCC1 741155542 582732043 /nfs/dbraw/zinc/73/20/43/582732043.db2.gz JDUJQEOAVDNWFN-UHFFFAOYSA-N 0 3 199.294 1.624 20 0 ADADHN C[C@H]1C[C@H](C)CN(CC2OCCO2)C1 741155707 582732079 /nfs/dbraw/zinc/73/20/79/582732079.db2.gz MYDKGCCZSZRNHK-UWVGGRQHSA-N 0 3 199.294 1.337 20 0 ADADHN CCCC(=O)NCCN1CCC[C@H]1C 742240804 582733870 /nfs/dbraw/zinc/73/38/70/582733870.db2.gz MNQJVZKCPVMSKV-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCC(=O)NCCN1CCC[C@@H]1C 742240803 582734006 /nfs/dbraw/zinc/73/40/06/582734006.db2.gz MNQJVZKCPVMSKV-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN FC(F)COCCN1C[C@H]2C[C@H]2C1 886346770 582736925 /nfs/dbraw/zinc/73/69/25/582736925.db2.gz QRKQFBCPRVFSIA-OCAPTIKFSA-N 0 3 191.221 1.220 20 0 ADADHN c1ncc(CCN2C[C@H]3C[C@H]3C2)s1 886349176 582736956 /nfs/dbraw/zinc/73/69/56/582736956.db2.gz ZVFHGVOSFKGIIY-DTORHVGOSA-N 0 3 194.303 1.637 20 0 ADADHN Cc1cncc(CN2C[C@H]3C[C@H]3C2)c1 886346776 582736978 /nfs/dbraw/zinc/73/69/78/582736978.db2.gz QWCDHXSYBKSVAJ-TXEJJXNPSA-N 0 3 188.274 1.842 20 0 ADADHN CC(C)C(=O)NCCN1CCC[C@@H]1C 744351897 582741160 /nfs/dbraw/zinc/74/11/60/582741160.db2.gz YPACXNAHTLDBBL-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)C(=O)NCCN1CCC[C@H]1C 744351898 582741392 /nfs/dbraw/zinc/74/13/92/582741392.db2.gz YPACXNAHTLDBBL-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN C/C=C\C(=O)NCCN1CC[C@H](C)C1 744799977 582741872 /nfs/dbraw/zinc/74/18/72/582741872.db2.gz CFZCWDNBQJMMTK-XOULXFPDSA-N 0 3 196.294 1.021 20 0 ADADHN C/C=C/C(=O)NCCN1CC[C@H](C)C1 744799974 582741883 /nfs/dbraw/zinc/74/18/83/582741883.db2.gz CFZCWDNBQJMMTK-FSIBCCDJSA-N 0 3 196.294 1.021 20 0 ADADHN C/C=C\C(=O)NCCN1CC[C@@H](C)C1 744799976 582742495 /nfs/dbraw/zinc/74/24/95/582742495.db2.gz CFZCWDNBQJMMTK-UMBAGQNISA-N 0 3 196.294 1.021 20 0 ADADHN C/C=C/C(=O)NCCN1CC[C@@H](C)C1 744799975 582742803 /nfs/dbraw/zinc/74/28/03/582742803.db2.gz CFZCWDNBQJMMTK-HMDXOVGESA-N 0 3 196.294 1.021 20 0 ADADHN C/C=C(/C)C(=O)NC1CCN(C)CC1 220441758 582748021 /nfs/dbraw/zinc/74/80/21/582748021.db2.gz WEKOVGPSUBODPQ-WTKPLQERSA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C(\C)C(=O)NC1CCN(C)CC1 220441681 582748033 /nfs/dbraw/zinc/74/80/33/582748033.db2.gz WEKOVGPSUBODPQ-RUDMXATFSA-N 0 3 196.294 1.163 20 0 ADADHN CCN(CC)CC(=O)N1CCC1(C)C 747400254 582749099 /nfs/dbraw/zinc/74/90/99/582749099.db2.gz PBSBNSLVQVKRFQ-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CN1CCC[C@@H]1C(=O)N1CCC1(C)C 747399006 582749274 /nfs/dbraw/zinc/74/92/74/582749274.db2.gz CXQCAXVHZBMZJH-SECBINFHSA-N 0 3 196.294 1.092 20 0 ADADHN CCCN(C)CC(=O)N1CCC1(C)C 747400523 582749329 /nfs/dbraw/zinc/74/93/29/582749329.db2.gz VEVZFMDOJLNQMA-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)N(C)CC(=O)N1CCC1(C)C 747400980 582749456 /nfs/dbraw/zinc/74/94/56/582749456.db2.gz QSSDPICYYRXGMM-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CN1CCC[C@H]1C(=O)N1CCC1(C)C 747399007 582749468 /nfs/dbraw/zinc/74/94/68/582749468.db2.gz CXQCAXVHZBMZJH-VIFPVBQESA-N 0 3 196.294 1.092 20 0 ADADHN CN(CC(N)=O)C1CCCCCCC1 748806202 582753402 /nfs/dbraw/zinc/75/34/02/582753402.db2.gz SOVWDBXAXGQFMJ-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN C[C@H]1CCN(CN2CCCC2=O)[C@@H]1C 751944317 582766233 /nfs/dbraw/zinc/76/62/33/582766233.db2.gz UGBXOVJVNZUBHC-VHSXEESVSA-N 0 3 196.294 1.297 20 0 ADADHN C/C=C(\C)C(=O)N1CCCN(C)CC1 751298548 582761191 /nfs/dbraw/zinc/76/11/91/582761191.db2.gz YWDWCVWQNWAXRL-ONNFQVAWSA-N 0 3 196.294 1.117 20 0 ADADHN C/C=C(/C)C(=O)N1CCCN(C)CC1 751298550 582761249 /nfs/dbraw/zinc/76/12/49/582761249.db2.gz YWDWCVWQNWAXRL-WMZJFQQLSA-N 0 3 196.294 1.117 20 0 ADADHN C/C=C(\C)C(=O)NCCN1CCCC1 751309980 582761329 /nfs/dbraw/zinc/76/13/29/582761329.db2.gz VLVSJYZIBHQGJW-XCVCLJGOSA-N 0 3 196.294 1.165 20 0 ADADHN C/C=C(/C)C(=O)NCCN1CCCC1 751309979 582761376 /nfs/dbraw/zinc/76/13/76/582761376.db2.gz VLVSJYZIBHQGJW-KMKOMSMNSA-N 0 3 196.294 1.165 20 0 ADADHN CC(C)=C(C)C(=O)NC[C@H](C)N(C)C 751349357 582761782 /nfs/dbraw/zinc/76/17/82/582761782.db2.gz MZNWDTWVVAOSJY-VIFPVBQESA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C(/C)C(=O)NCCN(C)C1CC1 751361214 582761880 /nfs/dbraw/zinc/76/18/80/582761880.db2.gz AXXLMRVKHYBCHR-WTKPLQERSA-N 0 3 196.294 1.163 20 0 ADADHN CC(C)=C(C)C(=O)NC[C@@H](C)N(C)C 751349355 582761952 /nfs/dbraw/zinc/76/19/52/582761952.db2.gz MZNWDTWVVAOSJY-SECBINFHSA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C(\C)C(=O)NCCN(C)C1CC1 751361213 582762380 /nfs/dbraw/zinc/76/23/80/582762380.db2.gz AXXLMRVKHYBCHR-RUDMXATFSA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C(/C)C(=O)NC[C@H]1CCCN1C 751381609 582762917 /nfs/dbraw/zinc/76/29/17/582762917.db2.gz DMZOGKPTDXUDCH-ZUYFITGHSA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C(\C)C(=O)NC[C@H]1CCCN1C 751381607 582763345 /nfs/dbraw/zinc/76/33/45/582763345.db2.gz DMZOGKPTDXUDCH-WXLQGSQKSA-N 0 3 196.294 1.163 20 0 ADADHN CCN(Cc1cncn1C)C(C)C 751472437 582764649 /nfs/dbraw/zinc/76/46/49/582764649.db2.gz TTXJQOHEIPJEGJ-UHFFFAOYSA-N 0 3 181.283 1.650 20 0 ADADHN C[C@H]1CCN(CN2CCCC2=O)[C@H]1C 751944316 582765973 /nfs/dbraw/zinc/76/59/73/582765973.db2.gz UGBXOVJVNZUBHC-UWVGGRQHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CN(CN2CCCC2=O)C[C@H]1C 751928020 582766057 /nfs/dbraw/zinc/76/60/57/582766057.db2.gz KXIBDAVVPUGLMR-NXEZZACHSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@H]1[C@H](C)CCN1CN1CCCC1=O 751944318 582766156 /nfs/dbraw/zinc/76/61/56/582766156.db2.gz UGBXOVJVNZUBHC-ZJUUUORDSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CN(CN2CCCC2=O)C[C@@H]1C 751928018 582766203 /nfs/dbraw/zinc/76/62/03/582766203.db2.gz KXIBDAVVPUGLMR-AOOOYVTPSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@H]1CCCN1CN1C[C@H](C)CC1=O 751925436 582766449 /nfs/dbraw/zinc/76/64/49/582766449.db2.gz POHRNWAVPCZBMS-ZJUUUORDSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1CN(CN2CCCC2=O)C[C@@H]1C 751928022 582766490 /nfs/dbraw/zinc/76/64/90/582766490.db2.gz KXIBDAVVPUGLMR-UWVGGRQHSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@H]1CC(=O)N(CN2CCC[C@H]2C)C1 751925434 582766501 /nfs/dbraw/zinc/76/65/01/582766501.db2.gz POHRNWAVPCZBMS-VHSXEESVSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CCN(CN2CCCC2=O)[C@@H]1C 751944315 582766558 /nfs/dbraw/zinc/76/65/58/582766558.db2.gz UGBXOVJVNZUBHC-NXEZZACHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CC(=O)N(CN2CCC[C@H]2C)C1 751925429 582766763 /nfs/dbraw/zinc/76/67/63/582766763.db2.gz POHRNWAVPCZBMS-NXEZZACHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1CC(=O)N(CN2CCC[C@@H]2C)C1 751925433 582766819 /nfs/dbraw/zinc/76/68/19/582766819.db2.gz POHRNWAVPCZBMS-UWVGGRQHSA-N 0 3 196.294 1.297 20 0 ADADHN OCCN1CC[C@H]1Cc1ccccc1 752313265 582769198 /nfs/dbraw/zinc/76/91/98/582769198.db2.gz BDRFHFFZTDGYLA-LBPRGKRZSA-N 0 3 191.274 1.296 20 0 ADADHN OCCN1CC[C@@H]1Cc1ccccc1 752313264 582769418 /nfs/dbraw/zinc/76/94/18/582769418.db2.gz BDRFHFFZTDGYLA-GFCCVEGCSA-N 0 3 191.274 1.296 20 0 ADADHN CCC(=O)CCN1CC[C@@H](O)[C@@H](C)C1 753767201 582774148 /nfs/dbraw/zinc/77/41/48/582774148.db2.gz CKOGDIJZULTKFM-GXSJLCMTSA-N 0 3 199.294 1.058 20 0 ADADHN CCC(=O)CCN1CC[C@@H](O)[C@H](C)C1 753767208 582774345 /nfs/dbraw/zinc/77/43/45/582774345.db2.gz CKOGDIJZULTKFM-MWLCHTKSSA-N 0 3 199.294 1.058 20 0 ADADHN CCC(=O)CCN1CCC(CO)CC1 753704172 582774453 /nfs/dbraw/zinc/77/44/53/582774453.db2.gz HVPQDQQDOJGVTQ-UHFFFAOYSA-N 0 3 199.294 1.060 20 0 ADADHN CCC(=O)CCN1CCC[C@H](OC)C1 753705476 582774520 /nfs/dbraw/zinc/77/45/20/582774520.db2.gz RFVSPYYKIXZAKF-NSHDSACASA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCN(CCO)CC1CC1 753705759 582774534 /nfs/dbraw/zinc/77/45/34/582774534.db2.gz OWAPAPQLXQIVAW-UHFFFAOYSA-N 0 3 199.294 1.060 20 0 ADADHN CCC(=O)CCN1CCC[C@@H](CO)C1 753697202 582774745 /nfs/dbraw/zinc/77/47/45/582774745.db2.gz NSSYYFOLJJMRPJ-SNVBAGLBSA-N 0 3 199.294 1.060 20 0 ADADHN CCC(=O)CCN1CC[C@H](O)[C@H](C)C1 753767204 582774835 /nfs/dbraw/zinc/77/48/35/582774835.db2.gz CKOGDIJZULTKFM-KOLCDFICSA-N 0 3 199.294 1.058 20 0 ADADHN CCC(=O)CCN(CCCO)C1CC1 753725527 582774860 /nfs/dbraw/zinc/77/48/60/582774860.db2.gz WAZQSUTWBMXQKF-UHFFFAOYSA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCN1CC[C@H](O)[C@@H](C)C1 753767211 582774880 /nfs/dbraw/zinc/77/48/80/582774880.db2.gz CKOGDIJZULTKFM-ONGXEEELSA-N 0 3 199.294 1.058 20 0 ADADHN CCC(=O)CCN1CCC[C@@H](OC)C1 753705474 582774885 /nfs/dbraw/zinc/77/48/85/582774885.db2.gz RFVSPYYKIXZAKF-LLVKDONJSA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCN1CCCOC[C@@H]1C 753747343 582775019 /nfs/dbraw/zinc/77/50/19/582775019.db2.gz QJNWDXXLHNMNSE-JTQLQIEISA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCN1CCCOC[C@H]1C 753747344 582775065 /nfs/dbraw/zinc/77/50/65/582775065.db2.gz QJNWDXXLHNMNSE-SNVBAGLBSA-N 0 3 199.294 1.466 20 0 ADADHN CCC(=O)CCN1CCC[C@H](CO)C1 753697200 582775228 /nfs/dbraw/zinc/77/52/28/582775228.db2.gz NSSYYFOLJJMRPJ-JTQLQIEISA-N 0 3 199.294 1.060 20 0 ADADHN CCC(=O)CCN1CCC[C@](C)(O)C1 753746526 582775326 /nfs/dbraw/zinc/77/53/26/582775326.db2.gz SOMGJTLJXGGHGQ-NSHDSACASA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCN1CCC[C@@](C)(O)C1 753746525 582775382 /nfs/dbraw/zinc/77/53/82/582775382.db2.gz SOMGJTLJXGGHGQ-LLVKDONJSA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCN(CCO)C1CCC1 753772501 582776242 /nfs/dbraw/zinc/77/62/42/582776242.db2.gz YJXTXIWQLWODIS-UHFFFAOYSA-N 0 3 199.294 1.202 20 0 ADADHN CCC(=O)CCN1CCOC[C@H](C)C1 753747949 582776360 /nfs/dbraw/zinc/77/63/60/582776360.db2.gz ULHLTXIAMQERMF-SNVBAGLBSA-N 0 3 199.294 1.324 20 0 ADADHN CCC(=O)CCN1CCOC[C@@H](C)C1 753747947 582776591 /nfs/dbraw/zinc/77/65/91/582776591.db2.gz ULHLTXIAMQERMF-JTQLQIEISA-N 0 3 199.294 1.324 20 0 ADADHN CCC(=O)CCN(C)CC1(O)CCC1 753766019 582776989 /nfs/dbraw/zinc/77/69/89/582776989.db2.gz RKYMVSGKIMGCRY-UHFFFAOYSA-N 0 3 199.294 1.202 20 0 ADADHN C/C=C/C=C\C(=O)N(C)CCN(C)C 754356795 582780942 /nfs/dbraw/zinc/78/09/42/582780942.db2.gz YJBZJSYCHCMQNV-MDAAKZFYSA-N 0 3 196.294 1.139 20 0 ADADHN C[C@H](CNC(=O)C=C1CCC1)N(C)C 755153097 582785472 /nfs/dbraw/zinc/78/54/72/582785472.db2.gz MYRHQLVSRSZDPV-SECBINFHSA-N 0 3 196.294 1.163 20 0 ADADHN C[C@@H](CNC(=O)C=C1CCC1)N(C)C 755153099 582785916 /nfs/dbraw/zinc/78/59/16/582785916.db2.gz MYRHQLVSRSZDPV-VIFPVBQESA-N 0 3 196.294 1.163 20 0 ADADHN CN(C)CCN(C)C(=O)C=C1CCC1 755438242 582786536 /nfs/dbraw/zinc/78/65/36/582786536.db2.gz XPXJUSPQTCZDLP-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN CCCNC(=O)[C@H]1CCCN1C(C)C 756049701 582791121 /nfs/dbraw/zinc/79/11/21/582791121.db2.gz YFAQTGPZCDUFOF-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CCCNC(=O)[C@@H]1CCCN1C(C)C 756049699 582791134 /nfs/dbraw/zinc/79/11/34/582791134.db2.gz YFAQTGPZCDUFOF-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H]1CC(C)(C)CN1CC1OCCO1 839658404 582795602 /nfs/dbraw/zinc/79/56/02/582795602.db2.gz MRARSOOISGMONS-VIFPVBQESA-N 0 3 199.294 1.480 20 0 ADADHN C[C@@H]1CC(C)(C)CN1CC1OCCO1 839658403 582795724 /nfs/dbraw/zinc/79/57/24/582795724.db2.gz MRARSOOISGMONS-SECBINFHSA-N 0 3 199.294 1.480 20 0 ADADHN CC/C=C(\C)C(=O)NC[C@H](C)N(C)C 839785332 582796096 /nfs/dbraw/zinc/79/60/96/582796096.db2.gz WCMYYTUWQFHPGI-PCYYEKQGSA-N 0 3 198.310 1.409 20 0 ADADHN CC/C=C(/C)C(=O)NC[C@H](C)N(C)C 839785333 582797036 /nfs/dbraw/zinc/79/70/36/582797036.db2.gz WCMYYTUWQFHPGI-RNKPRXRFSA-N 0 3 198.310 1.409 20 0 ADADHN CCC(=CC(=O)NCCN(C)C)CC 759451919 582803109 /nfs/dbraw/zinc/80/31/09/582803109.db2.gz JOSIXMOBWNHEFC-UHFFFAOYSA-N 0 3 198.310 1.411 20 0 ADADHN CCCCCCN(C)[C@H]1CCNC1=O 759435583 582803361 /nfs/dbraw/zinc/80/33/61/582803361.db2.gz WXLWBQPCJIUEDQ-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCCCCCN(C)[C@@H]1CCNC1=O 759435585 582803529 /nfs/dbraw/zinc/80/35/29/582803529.db2.gz WXLWBQPCJIUEDQ-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCN(CCC1CC1)CC1OCCO1 760881916 582808084 /nfs/dbraw/zinc/80/80/84/582808084.db2.gz RRNXCYYKZKDICQ-UHFFFAOYSA-N 0 3 199.294 1.481 20 0 ADADHN C[C@H]1CN([C@H]2C=CCCC2)CCN1C 761081038 582808772 /nfs/dbraw/zinc/80/87/72/582808772.db2.gz LVQYDVXADXZAGC-RYUDHWBXSA-N 0 3 194.322 1.731 20 0 ADADHN C[C@@H]1CN([C@H]2C=CCCC2)CCN1C 761081036 582809098 /nfs/dbraw/zinc/80/90/98/582809098.db2.gz LVQYDVXADXZAGC-NEPJUHHUSA-N 0 3 194.322 1.731 20 0 ADADHN C[C@H]1CN([C@@H]2C=CCCC2)CCN1C 761081037 582809146 /nfs/dbraw/zinc/80/91/46/582809146.db2.gz LVQYDVXADXZAGC-NWDGAFQWSA-N 0 3 194.322 1.731 20 0 ADADHN C[C@@H]1CN([C@@H]2C=CCCC2)CCN1C 761081040 582809265 /nfs/dbraw/zinc/80/92/65/582809265.db2.gz LVQYDVXADXZAGC-VXGBXAGGSA-N 0 3 194.322 1.731 20 0 ADADHN COCCN1CC[C@@H](C(F)(F)F)C1 761056507 582809603 /nfs/dbraw/zinc/80/96/03/582809603.db2.gz XSQRXGYHJUYPMG-SSDOTTSWSA-N 0 3 197.200 1.517 20 0 ADADHN COCCN1CC[C@H](C(F)(F)F)C1 761056517 582809846 /nfs/dbraw/zinc/80/98/46/582809846.db2.gz XSQRXGYHJUYPMG-ZETCQYMHSA-N 0 3 197.200 1.517 20 0 ADADHN CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 762964804 582816680 /nfs/dbraw/zinc/81/66/80/582816680.db2.gz PFRBBVZBYMDPGC-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCCCNC(=O)C1(N(C)C)CCC1 762964664 582816813 /nfs/dbraw/zinc/81/68/13/582816813.db2.gz QFUWGQCYJNOBDB-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H](C)NC(=O)C1(N(C)C)CCC1 762964807 582816846 /nfs/dbraw/zinc/81/68/46/582816846.db2.gz PFRBBVZBYMDPGC-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CN(C)C1(C(=O)N2CCCC2)CCC1 762964335 582816913 /nfs/dbraw/zinc/81/69/13/582816913.db2.gz LYKPWCXDECRZIZ-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CN(C(=O)C1(N(C)C)CCC1)C1CC1 763003696 582817105 /nfs/dbraw/zinc/81/71/05/582817105.db2.gz KOOYTCFNLLMEEX-UHFFFAOYSA-N 0 3 196.294 1.092 20 0 ADADHN CCN(CC)C(=O)C1(N(C)C)CCC1 762963927 582817144 /nfs/dbraw/zinc/81/71/44/582817144.db2.gz GYNRMSOOCGGBIL-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCN(C)C(=O)C1(N(C)C)CCC1 762980492 582817249 /nfs/dbraw/zinc/81/72/49/582817249.db2.gz YWPDWDLAPBHRDO-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)CNC(=O)C1(N(C)C)CCC1 762964918 582817381 /nfs/dbraw/zinc/81/73/81/582817381.db2.gz TXGMTUQDERDOIA-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CN(C)C1(C(=O)NC2CCC2)CCC1 763045830 582817556 /nfs/dbraw/zinc/81/75/56/582817556.db2.gz YIEKWMNKJFKNTO-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CN(C[C@H]1CC2(CC2)C(=O)O1)C1CC1 763661285 582819421 /nfs/dbraw/zinc/81/94/21/582819421.db2.gz OMVNGRTYZMXUIG-SECBINFHSA-N 0 3 195.262 1.176 20 0 ADADHN CN(CCCF)CCc1cncn1C 887142331 582818609 /nfs/dbraw/zinc/81/86/09/582818609.db2.gz FUFQCXSGJYFSBO-UHFFFAOYSA-N 0 3 199.273 1.254 20 0 ADADHN CN(C[C@@H]1CC2(CC2)C(=O)O1)C1CC1 763661286 582819721 /nfs/dbraw/zinc/81/97/21/582819721.db2.gz OMVNGRTYZMXUIG-VIFPVBQESA-N 0 3 195.262 1.176 20 0 ADADHN CC[C@@H](C)CN(CC)[C@H]1CCOC1=O 764284479 582821917 /nfs/dbraw/zinc/82/19/17/582821917.db2.gz YLYJPXTVTAAIQB-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN CC[C@H](C)CN(CC)[C@@H]1CCOC1=O 764284477 582822084 /nfs/dbraw/zinc/82/20/84/582822084.db2.gz YLYJPXTVTAAIQB-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN CC[C@H](C)CN(CC)[C@H]1CCOC1=O 764284475 582822458 /nfs/dbraw/zinc/82/24/58/582822458.db2.gz YLYJPXTVTAAIQB-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN 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/nfs/dbraw/zinc/83/66/30/582836630.db2.gz FXLVQZPRCORDTF-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN c1nncn1CN1CCCC2(CC2)C1 769794316 582840754 /nfs/dbraw/zinc/84/07/54/582840754.db2.gz SYFOVAUVYKZLHG-UHFFFAOYSA-N 0 3 192.266 1.112 20 0 ADADHN C1CN(CC2OCCO2)CC2(C1)CC2 770701803 582842206 /nfs/dbraw/zinc/84/22/06/582842206.db2.gz RYYNNNIRAKKQAQ-UHFFFAOYSA-N 0 3 197.278 1.235 20 0 ADADHN C/C=C/C=C\C(=O)N[C@@H](C)CN(C)C 805423686 582844647 /nfs/dbraw/zinc/84/46/47/582844647.db2.gz GMUCGJDRJFDJDB-AILJGOMRSA-N 0 3 196.294 1.185 20 0 ADADHN C/C=C/C=C/C(=O)N[C@@H](C)CN(C)C 805423687 582844709 /nfs/dbraw/zinc/84/47/09/582844709.db2.gz GMUCGJDRJFDJDB-DOYBTKHBSA-N 0 3 196.294 1.185 20 0 ADADHN CCC/C=C\C(=O)N[C@@H](C)CN(C)C 805422848 582844920 /nfs/dbraw/zinc/84/49/20/582844920.db2.gz KMBOMXOPUFVKLS-DMEOUFDRSA-N 0 3 198.310 1.409 20 0 ADADHN CC(C)=C(C)C(=O)N[C@@H](C)CN(C)C 805426831 582844937 /nfs/dbraw/zinc/84/49/37/582844937.db2.gz GAJOXWDUBOQEAU-VIFPVBQESA-N 0 3 198.310 1.409 20 0 ADADHN 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CN(C[C@@H]1CCC=CO1)C1CC(O)C1 775063714 582861500 /nfs/dbraw/zinc/86/15/00/582861500.db2.gz ZSTZSONFLICJEU-ILDUYXDCSA-N 0 3 197.278 1.134 20 0 ADADHN C[C@H]1CCCCN(CC2OCCO2)C1 775733084 582862986 /nfs/dbraw/zinc/86/29/86/582862986.db2.gz YPRPJZOHLRIBEY-JTQLQIEISA-N 0 3 199.294 1.481 20 0 ADADHN C[C@@H]1CCCCN(CC2OCCO2)C1 775733118 582863230 /nfs/dbraw/zinc/86/32/30/582863230.db2.gz YPRPJZOHLRIBEY-SNVBAGLBSA-N 0 3 199.294 1.481 20 0 ADADHN C[C@@H]1CCCCN([C@H]2CCOC2=O)C1 775729215 582863247 /nfs/dbraw/zinc/86/32/47/582863247.db2.gz IJTJOXOUZXKKBN-ZJUUUORDSA-N 0 3 197.278 1.424 20 0 ADADHN C[C@H]1CCCCN([C@@H]2CCOC2=O)C1 775729214 582863368 /nfs/dbraw/zinc/86/33/68/582863368.db2.gz IJTJOXOUZXKKBN-VHSXEESVSA-N 0 3 197.278 1.424 20 0 ADADHN C[C@@H]1CCCCN([C@@H]2CCOC2=O)C1 775729212 582863513 /nfs/dbraw/zinc/86/35/13/582863513.db2.gz IJTJOXOUZXKKBN-NXEZZACHSA-N 0 3 197.278 1.424 20 0 ADADHN C[C@H]1CCCCN([C@H]2CCOC2=O)C1 775729213 582863597 /nfs/dbraw/zinc/86/35/97/582863597.db2.gz IJTJOXOUZXKKBN-UWVGGRQHSA-N 0 3 197.278 1.424 20 0 ADADHN COc1ccc(CN2CCCC2)nc1 775933762 582864528 /nfs/dbraw/zinc/86/45/28/582864528.db2.gz JQAOJSFENSVDMW-UHFFFAOYSA-N 0 3 192.262 1.686 20 0 ADADHN COc1ccc(CN(C)C(C)C)nc1 775976660 582864735 /nfs/dbraw/zinc/86/47/35/582864735.db2.gz VQJBMSLRRMUSRO-UHFFFAOYSA-N 0 3 194.278 1.930 20 0 ADADHN Cc1cc(CN(C)C[C@@H](C)O)c(C)o1 776521570 582865769 /nfs/dbraw/zinc/86/57/69/582865769.db2.gz SKXQEKBAPIBBLE-MRVPVSSYSA-N 0 3 197.278 1.709 20 0 ADADHN Cc1cc(CN(C)C[C@H](C)O)c(C)o1 776521571 582866195 /nfs/dbraw/zinc/86/61/95/582866195.db2.gz SKXQEKBAPIBBLE-QMMMGPOBSA-N 0 3 197.278 1.709 20 0 ADADHN CCN(Cn1cnnc1)[C@H](C)C(C)C 776757565 582866538 /nfs/dbraw/zinc/86/65/38/582866538.db2.gz VMRMECJSCDUJHB-SNVBAGLBSA-N 0 3 196.298 1.602 20 0 ADADHN CC[C@H]1CCCN(Cn2cnnc2)C1 776757725 582866470 /nfs/dbraw/zinc/86/64/70/582866470.db2.gz XIYXYRUPFLCFLQ-JTQLQIEISA-N 0 3 194.282 1.358 20 0 ADADHN CC[C@@H]1CCCN(Cn2cnnc2)C1 776757726 582866512 /nfs/dbraw/zinc/86/65/12/582866512.db2.gz XIYXYRUPFLCFLQ-SNVBAGLBSA-N 0 3 194.282 1.358 20 0 ADADHN c1nncn1CN1CCCCCCC1 776757009 582866515 /nfs/dbraw/zinc/86/65/15/582866515.db2.gz WKDVGXYHQKPDJW-UHFFFAOYSA-N 0 3 194.282 1.502 20 0 ADADHN C[C@@H]1CCN(Cn2cnnc2)C[C@@H]1C 776763295 582866562 /nfs/dbraw/zinc/86/65/62/582866562.db2.gz QSOFRUXNWSOSRI-ZJUUUORDSA-N 0 3 194.282 1.214 20 0 ADADHN CN(CC1CCCC1)Cn1cnnc1 776758690 582866571 /nfs/dbraw/zinc/86/65/71/582866571.db2.gz WGXUHVSFMPESSP-UHFFFAOYSA-N 0 3 194.282 1.358 20 0 ADADHN CCN(Cn1cnnc1)C1CCCC1 776757544 582866582 /nfs/dbraw/zinc/86/65/82/582866582.db2.gz UOPMPKWUVQDNDE-UHFFFAOYSA-N 0 3 194.282 1.500 20 0 ADADHN c1nncn1CN1CCC[C@@H]1C1CC1 776758563 582866635 /nfs/dbraw/zinc/86/66/35/582866635.db2.gz NSZTUNBXZVZBEN-SNVBAGLBSA-N 0 3 192.266 1.110 20 0 ADADHN C[C@@H](N(C)Cn1cnnc1)C(C)(C)C 776756220 582866685 /nfs/dbraw/zinc/86/66/85/582866685.db2.gz LVLJWVXGOIZINW-SECBINFHSA-N 0 3 196.298 1.602 20 0 ADADHN CCC1CCN(Cn2cnnc2)CC1 776757289 582866694 /nfs/dbraw/zinc/86/66/94/582866694.db2.gz MGOQXDJCMGZZCY-UHFFFAOYSA-N 0 3 194.282 1.358 20 0 ADADHN C[C@H]1CCN(Cn2cnnc2)C[C@@H]1C 776763292 582866705 /nfs/dbraw/zinc/86/67/05/582866705.db2.gz QSOFRUXNWSOSRI-UWVGGRQHSA-N 0 3 194.282 1.214 20 0 ADADHN CC(C)CN(Cn1cnnc1)C1CC1 776757042 582866749 /nfs/dbraw/zinc/86/67/49/582866749.db2.gz YIGZUUXXSAETAQ-UHFFFAOYSA-N 0 3 194.282 1.356 20 0 ADADHN C[C@@H](N(C)Cn1cnnc1)C1(C)CC1 776763890 582866811 /nfs/dbraw/zinc/86/68/11/582866811.db2.gz LUDZMBDFOFGXFP-SECBINFHSA-N 0 3 194.282 1.356 20 0 ADADHN C[C@H]1CCN(Cn2cnnc2)C[C@H]1C 776763294 582866835 /nfs/dbraw/zinc/86/68/35/582866835.db2.gz QSOFRUXNWSOSRI-VHSXEESVSA-N 0 3 194.282 1.214 20 0 ADADHN CC[C@@H](C)CN(CC)Cn1cnnc1 776763861 582866842 /nfs/dbraw/zinc/86/68/42/582866842.db2.gz LGNLGJIGRYYMKI-SNVBAGLBSA-N 0 3 196.298 1.604 20 0 ADADHN CC1(C)CCCN(Cn2cnnc2)C1 776759579 582866876 /nfs/dbraw/zinc/86/68/76/582866876.db2.gz STHIYINZFUUOKQ-UHFFFAOYSA-N 0 3 194.282 1.358 20 0 ADADHN C[C@H](N(C)Cn1cnnc1)C(C)(C)C 776756228 582866895 /nfs/dbraw/zinc/86/68/95/582866895.db2.gz LVLJWVXGOIZINW-VIFPVBQESA-N 0 3 196.298 1.602 20 0 ADADHN C[C@H](N(C)Cn1cnnc1)C1(C)CC1 776763893 582866955 /nfs/dbraw/zinc/86/69/55/582866955.db2.gz LUDZMBDFOFGXFP-VIFPVBQESA-N 0 3 194.282 1.356 20 0 ADADHN CC[C@H](C)CN(CC)Cn1cnnc1 776763860 582866963 /nfs/dbraw/zinc/86/69/63/582866963.db2.gz LGNLGJIGRYYMKI-JTQLQIEISA-N 0 3 196.298 1.604 20 0 ADADHN CCN(Cn1cnnc1)[C@@H](C)C(C)C 776757564 582867071 /nfs/dbraw/zinc/86/70/71/582867071.db2.gz VMRMECJSCDUJHB-JTQLQIEISA-N 0 3 196.298 1.602 20 0 ADADHN c1nncn1CN1CCC[C@H]1C1CC1 776758562 582867091 /nfs/dbraw/zinc/86/70/91/582867091.db2.gz NSZTUNBXZVZBEN-JTQLQIEISA-N 0 3 192.266 1.110 20 0 ADADHN CC1(C)CCN(Cn2cnnc2)CC1 776758576 582867114 /nfs/dbraw/zinc/86/71/14/582867114.db2.gz OGUYEKRDNVMCIX-UHFFFAOYSA-N 0 3 194.282 1.358 20 0 ADADHN C[C@@H]1CN(Cn2cnnc2)CC[C@H]1C 776763290 582867130 /nfs/dbraw/zinc/86/71/30/582867130.db2.gz QSOFRUXNWSOSRI-NXEZZACHSA-N 0 3 194.282 1.214 20 0 ADADHN c1nncn1CN1CCC2(CCC2)C1 776765093 582867476 /nfs/dbraw/zinc/86/74/76/582867476.db2.gz XDAVDUWBISIQJH-UHFFFAOYSA-N 0 3 192.266 1.112 20 0 ADADHN CCCN(CC1CC1)CC1OCCO1 777534335 582867666 /nfs/dbraw/zinc/86/76/66/582867666.db2.gz CYJZHAWEHCTOFO-UHFFFAOYSA-N 0 3 199.294 1.481 20 0 ADADHN CCCCN1CCC[C@@]12CCOC2=O 778246514 582869496 /nfs/dbraw/zinc/86/94/96/582869496.db2.gz KXERXYKZDOVSNR-NSHDSACASA-N 0 3 197.278 1.568 20 0 ADADHN CCCCN1CCC[C@]12CCOC2=O 778246512 582869567 /nfs/dbraw/zinc/86/95/67/582869567.db2.gz KXERXYKZDOVSNR-LLVKDONJSA-N 0 3 197.278 1.568 20 0 ADADHN CC(C)CN1CCC[C@@]12CCOC2=O 778249096 582869571 /nfs/dbraw/zinc/86/95/71/582869571.db2.gz DPLNKZROEFMSSN-NSHDSACASA-N 0 3 197.278 1.424 20 0 ADADHN O=C1OCC[C@]12CCCN2CC1CC1 778247733 582869715 /nfs/dbraw/zinc/86/97/15/582869715.db2.gz PPKSEUJSEJIZFZ-LLVKDONJSA-N 0 3 195.262 1.178 20 0 ADADHN CC(C)CN1CCC[C@]12CCOC2=O 778249095 582869762 /nfs/dbraw/zinc/86/97/62/582869762.db2.gz DPLNKZROEFMSSN-LLVKDONJSA-N 0 3 197.278 1.424 20 0 ADADHN O=C1OCC[C@@]12CCCN2CC1CC1 778247735 582869948 /nfs/dbraw/zinc/86/99/48/582869948.db2.gz PPKSEUJSEJIZFZ-NSHDSACASA-N 0 3 195.262 1.178 20 0 ADADHN FC1=CCCN(CCN2CCCC2)C1 778959904 582871368 /nfs/dbraw/zinc/87/13/68/582871368.db2.gz FAKWHKYPIYURLX-UHFFFAOYSA-N 0 3 198.285 1.641 20 0 ADADHN CC/C(C)=C(\C)C(=O)NCCN(C)C 780849506 582878863 /nfs/dbraw/zinc/87/88/63/582878863.db2.gz LXQKDXHWHFDCBK-MDZDMXLPSA-N 0 3 198.310 1.411 20 0 ADADHN CC/C(C)=C(/C)C(=O)NCCN(C)C 780849502 582879071 /nfs/dbraw/zinc/87/90/71/582879071.db2.gz LXQKDXHWHFDCBK-KTKRTIGZSA-N 0 3 198.310 1.411 20 0 ADADHN CC(C)=CCN1CCCN(C=O)CC1 781560884 582880673 /nfs/dbraw/zinc/88/06/73/582880673.db2.gz JCIOFTYTPJURCG-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN CCCCCN1CCCN(C=O)CC1 781555964 582880698 /nfs/dbraw/zinc/88/06/98/582880698.db2.gz SPCDNCYHTUZKOZ-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN C[C@H](C1CC1)N(C)Cc1cnccn1 782181273 582882318 /nfs/dbraw/zinc/88/23/18/582882318.db2.gz QKTFIJPAZSRTOB-SECBINFHSA-N 0 3 191.278 1.707 20 0 ADADHN C[C@@H](C1CC1)N(C)Cc1cnccn1 782181274 582882857 /nfs/dbraw/zinc/88/28/57/582882857.db2.gz QKTFIJPAZSRTOB-VIFPVBQESA-N 0 3 191.278 1.707 20 0 ADADHN CO[C@@H]1CCN(CCOC2CCC2)C1 805743140 582887076 /nfs/dbraw/zinc/88/70/76/582887076.db2.gz RHKHLJREZGVMML-LLVKDONJSA-N 0 3 199.294 1.276 20 0 ADADHN CC(C)CCCN1CCCNC(=O)C1 783548839 582888424 /nfs/dbraw/zinc/88/84/24/582888424.db2.gz SVBSWXYIKDWNPJ-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN(CC)CCOC(=O)[C@@H]1C[C@H]1C 786384944 582896193 /nfs/dbraw/zinc/89/61/93/582896193.db2.gz XGQTYKYQLDYQBB-NXEZZACHSA-N 0 3 199.294 1.527 20 0 ADADHN CC(C)C[C@H](C)N1CCCNC(=O)C1 786668999 582896741 /nfs/dbraw/zinc/89/67/41/582896741.db2.gz FRNPEIAWVOVPDA-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)C[C@@H](C)N1CCCNC(=O)C1 786669001 582896802 /nfs/dbraw/zinc/89/68/02/582896802.db2.gz FRNPEIAWVOVPDA-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC1(CN2CCC3(C2)OCCO3)CC1 787147411 582898185 /nfs/dbraw/zinc/89/81/85/582898185.db2.gz SASSRCMVIQWKHS-UHFFFAOYSA-N 0 3 197.278 1.235 20 0 ADADHN C[C@H](O)CCN(C)C[C@@H]1CCC=CO1 788447077 582902522 /nfs/dbraw/zinc/90/25/22/582902522.db2.gz TZHWWANQMHHNAQ-QWRGUYRKSA-N 0 3 199.294 1.382 20 0 ADADHN O[C@H]1CCCN(C[C@H]2CCC=CO2)C1 788444162 582902603 /nfs/dbraw/zinc/90/26/03/582902603.db2.gz ZYQNVCUSPFKXKV-WDEREUQCSA-N 0 3 197.278 1.136 20 0 ADADHN C[C@@H](O)CCN(C)C[C@@H]1CCC=CO1 788447075 582902877 /nfs/dbraw/zinc/90/28/77/582902877.db2.gz TZHWWANQMHHNAQ-MNOVXSKESA-N 0 3 199.294 1.382 20 0 ADADHN C[C@@H](O)CCN(C)C[C@H]1CCC=CO1 788447073 582903000 /nfs/dbraw/zinc/90/30/00/582903000.db2.gz TZHWWANQMHHNAQ-GHMZBOCLSA-N 0 3 199.294 1.382 20 0 ADADHN O[C@@H]1CCCN(C[C@H]2CCC=CO2)C1 788444159 582902930 /nfs/dbraw/zinc/90/29/30/582902930.db2.gz ZYQNVCUSPFKXKV-GHMZBOCLSA-N 0 3 197.278 1.136 20 0 ADADHN C[C@H](O)CCN(C)C[C@H]1CCC=CO1 788447080 582903122 /nfs/dbraw/zinc/90/31/22/582903122.db2.gz TZHWWANQMHHNAQ-WDEREUQCSA-N 0 3 199.294 1.382 20 0 ADADHN O[C@H]1CCCN(C[C@@H]2CCC=CO2)C1 788444161 582903156 /nfs/dbraw/zinc/90/31/56/582903156.db2.gz ZYQNVCUSPFKXKV-QWRGUYRKSA-N 0 3 197.278 1.136 20 0 ADADHN O[C@@H]1CCCN(C[C@@H]2CCC=CO2)C1 788444160 582903299 /nfs/dbraw/zinc/90/32/99/582903299.db2.gz ZYQNVCUSPFKXKV-MNOVXSKESA-N 0 3 197.278 1.136 20 0 ADADHN C/C=C(\CC)C(=O)N(C)CCN(C)C 788907116 582904423 /nfs/dbraw/zinc/90/44/23/582904423.db2.gz SZTYRHUYPUKCJK-UXBLZVDNSA-N 0 3 198.310 1.363 20 0 ADADHN C/C=C(\CC)C(=O)NC[C@@H](C)N(C)C 788823544 582904523 /nfs/dbraw/zinc/90/45/23/582904523.db2.gz ZHABJWPJLWKDPB-ZFZMKPAXSA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C(/CC)C(=O)NC[C@H](C)N(C)C 788823542 582904646 /nfs/dbraw/zinc/90/46/46/582904646.db2.gz ZHABJWPJLWKDPB-LKJZUNMESA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C(/CC)C(=O)N(C)CCN(C)C 788907115 582904763 /nfs/dbraw/zinc/90/47/63/582904763.db2.gz SZTYRHUYPUKCJK-POHAHGRESA-N 0 3 198.310 1.363 20 0 ADADHN C/C=C(\CC)C(=O)NC[C@H](C)N(C)C 788823541 582904801 /nfs/dbraw/zinc/90/48/01/582904801.db2.gz ZHABJWPJLWKDPB-CMWXKVOJSA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C(/CC)C(=O)NC[C@@H](C)N(C)C 788823543 582904873 /nfs/dbraw/zinc/90/48/73/582904873.db2.gz ZHABJWPJLWKDPB-WPVMNKCKSA-N 0 3 198.310 1.409 20 0 ADADHN CO[C@@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 789327810 582905263 /nfs/dbraw/zinc/90/52/63/582905263.db2.gz QPAJJCKTQPHTIA-GMTAPVOTSA-N 0 3 199.294 1.275 20 0 ADADHN CO[C@@H]1CCN(C[C@H]2CC[C@H](C)O2)C1 789327812 582905363 /nfs/dbraw/zinc/90/53/63/582905363.db2.gz QPAJJCKTQPHTIA-HBNTYKKESA-N 0 3 199.294 1.275 20 0 ADADHN CO[C@@H]1CCN(C[C@@H]2CC[C@@H](C)O2)C1 789327814 582905374 /nfs/dbraw/zinc/90/53/74/582905374.db2.gz QPAJJCKTQPHTIA-MXWKQRLJSA-N 0 3 199.294 1.275 20 0 ADADHN CO[C@@H]1CCN(C[C@@H]2CC[C@H](C)O2)C1 789327808 582905725 /nfs/dbraw/zinc/90/57/25/582905725.db2.gz QPAJJCKTQPHTIA-AXFHLTTASA-N 0 3 199.294 1.275 20 0 ADADHN CCC(=O)CCN1C[C@H](O)C(C)(C)C1 790449821 582910048 /nfs/dbraw/zinc/91/00/48/582910048.db2.gz KFJGDJNBWPWQQM-JTQLQIEISA-N 0 3 199.294 1.058 20 0 ADADHN CCC(=O)CCN1C[C@@H](O)C(C)(C)C1 790449822 582910239 /nfs/dbraw/zinc/91/02/39/582910239.db2.gz KFJGDJNBWPWQQM-SNVBAGLBSA-N 0 3 199.294 1.058 20 0 ADADHN CC(C)N(C)C(=O)C1(N(C)C)CCC1 791124531 582912162 /nfs/dbraw/zinc/91/21/62/582912162.db2.gz ZCXVEYQATNIJFJ-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CCC1(NCc2cnon2)CCCC1 852113650 583204935 /nfs/dbraw/zinc/20/49/35/583204935.db2.gz DXFCSFZOBJWUHL-UHFFFAOYSA-N 0 3 195.266 1.882 20 0 ADADHN CCN(CC1CCC1)Cn1cnnc1 794683199 582920596 /nfs/dbraw/zinc/92/05/96/582920596.db2.gz OAYBSLVJOAPYKW-UHFFFAOYSA-N 0 3 194.282 1.358 20 0 ADADHN CN(C)CCNC(=O)C1CC(C)(C)C1 794604560 582920920 /nfs/dbraw/zinc/92/09/20/582920920.db2.gz JPJWHBQRUWVNQS-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN CC1(C)[C@H]2CN(Cc3cnc[nH]3)C[C@H]21 796446178 582925687 /nfs/dbraw/zinc/92/56/87/582925687.db2.gz RSFCUXFEAGICIA-AOOOYVTPSA-N 0 3 191.278 1.498 20 0 ADADHN CCOCCN1CCC(F)(F)CC1 796538992 582925293 /nfs/dbraw/zinc/92/52/93/582925293.db2.gz SEEZXPIQIZHGFG-UHFFFAOYSA-N 0 3 193.237 1.754 20 0 ADADHN CC1=C(C)CN(CC2OCCO2)CC1 796589532 582925395 /nfs/dbraw/zinc/92/53/95/582925395.db2.gz JARBEHVCGLAYJE-UHFFFAOYSA-N 0 3 197.278 1.401 20 0 ADADHN COC(CN1CCC(C)=C(C)C1)OC 796594028 582925536 /nfs/dbraw/zinc/92/55/36/582925536.db2.gz PTQYAKVJWWBUJL-UHFFFAOYSA-N 0 3 199.294 1.647 20 0 ADADHN CC1(C)[C@H]2CN(Cc3c[nH]cn3)C[C@H]21 796446178 582925684 /nfs/dbraw/zinc/92/56/84/582925684.db2.gz RSFCUXFEAGICIA-AOOOYVTPSA-N 0 3 191.278 1.498 20 0 ADADHN C[C@H]1CCCN(CC[S@@](C)=O)C1 798193902 582930394 /nfs/dbraw/zinc/93/03/94/582930394.db2.gz QUHXBEOCDKPVQP-JOYOIKCWSA-N 0 3 189.324 1.097 20 0 ADADHN C[C@H]1CCCN(CC[S@](C)=O)C1 798193901 582931002 /nfs/dbraw/zinc/93/10/02/582931002.db2.gz QUHXBEOCDKPVQP-CABZTGNLSA-N 0 3 189.324 1.097 20 0 ADADHN C[C@H]1CCN(CN2CC[C@@H](C)C2=O)C1 839985813 582938011 /nfs/dbraw/zinc/93/80/11/582938011.db2.gz RVGNOKLXXXXWBS-VHSXEESVSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@H]1CCN(CN2CC[C@H](C)C2=O)C1 839985811 582938266 /nfs/dbraw/zinc/93/82/66/582938266.db2.gz RVGNOKLXXXXWBS-UWVGGRQHSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@H]1CCN(CN2CC[C@@H](C)C2)C1=O 839985814 582938463 /nfs/dbraw/zinc/93/84/63/582938463.db2.gz RVGNOKLXXXXWBS-ZJUUUORDSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@@H]1CCN(CN2CC[C@@H](C)C2=O)C1 839985810 582938536 /nfs/dbraw/zinc/93/85/36/582938536.db2.gz RVGNOKLXXXXWBS-NXEZZACHSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@H]1CCCN1CN1CC[C@@H](C)C1=O 840014597 582940064 /nfs/dbraw/zinc/94/00/64/582940064.db2.gz JSZVNSYFUUUZPD-ZJUUUORDSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1CCN(CN2CCC[C@@H]2C)C1=O 840014595 582940217 /nfs/dbraw/zinc/94/02/17/582940217.db2.gz JSZVNSYFUUUZPD-UWVGGRQHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1CCN(CN2CCC[C@H]2C)C1=O 840014596 582940438 /nfs/dbraw/zinc/94/04/38/582940438.db2.gz JSZVNSYFUUUZPD-VHSXEESVSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CCN(CN2CCC[C@H]2C)C1=O 840014594 582940483 /nfs/dbraw/zinc/94/04/83/582940483.db2.gz JSZVNSYFUUUZPD-NXEZZACHSA-N 0 3 196.294 1.297 20 0 ADADHN CC1(C)CCC(=O)N1CN1CCCC1 808134437 582958109 /nfs/dbraw/zinc/95/81/09/582958109.db2.gz UXNXIWBTGPQTGI-UHFFFAOYSA-N 0 3 196.294 1.441 20 0 ADADHN CC(C)C(=O)CCN1CCC[C@H]1CO 808720429 582958748 /nfs/dbraw/zinc/95/87/48/582958748.db2.gz VFGBNOTWAHFMMO-JTQLQIEISA-N 0 3 199.294 1.058 20 0 ADADHN CC(C)C(=O)CCN1CCC[C@H](O)C1 808708768 582958791 /nfs/dbraw/zinc/95/87/91/582958791.db2.gz QBDBMFYSSUNROS-JTQLQIEISA-N 0 3 199.294 1.058 20 0 ADADHN CC(C)C(=O)CCN1CCC[C@@H](O)C1 808708769 582958851 /nfs/dbraw/zinc/95/88/51/582958851.db2.gz QBDBMFYSSUNROS-SNVBAGLBSA-N 0 3 199.294 1.058 20 0 ADADHN CC(C)C(=O)CCN1CC[C@](C)(O)C1 808732172 582958907 /nfs/dbraw/zinc/95/89/07/582958907.db2.gz DSIHAKPTAHCLOM-NSHDSACASA-N 0 3 199.294 1.058 20 0 ADADHN CC(C)C(=O)CCN(CCO)C1CC1 808709309 582958920 /nfs/dbraw/zinc/95/89/20/582958920.db2.gz RLUKVZDBPFFZMN-UHFFFAOYSA-N 0 3 199.294 1.058 20 0 ADADHN CC(C)C(=O)CCN(C)[C@H]1CCOC1 808724932 582958943 /nfs/dbraw/zinc/95/89/43/582958943.db2.gz VXSLDANNAOIKQJ-JTQLQIEISA-N 0 3 199.294 1.322 20 0 ADADHN CC(C)C(=O)CCN1CCCOCC1 808716194 582959076 /nfs/dbraw/zinc/95/90/76/582959076.db2.gz TVASMJJKLCCWFR-UHFFFAOYSA-N 0 3 199.294 1.324 20 0 ADADHN CO[C@H]1CCN(CCC(=O)C(C)C)C1 808733527 582959419 /nfs/dbraw/zinc/95/94/19/582959419.db2.gz UGYMSRWYLHVDJM-JTQLQIEISA-N 0 3 199.294 1.322 20 0 ADADHN CO[C@@H]1CCN(CCC(=O)C(C)C)C1 808733529 582959268 /nfs/dbraw/zinc/95/92/68/582959268.db2.gz UGYMSRWYLHVDJM-SNVBAGLBSA-N 0 3 199.294 1.322 20 0 ADADHN CC(C)C(=O)CCN(C)[C@@H]1CCOC1 808724933 582959326 /nfs/dbraw/zinc/95/93/26/582959326.db2.gz VXSLDANNAOIKQJ-SNVBAGLBSA-N 0 3 199.294 1.322 20 0 ADADHN CC(C)C(=O)CCN1CCC[C@@H]1CO 808713951 582959376 /nfs/dbraw/zinc/95/93/76/582959376.db2.gz VFGBNOTWAHFMMO-SNVBAGLBSA-N 0 3 199.294 1.058 20 0 ADADHN CC(C)C(=O)CCN1CC[C@@](C)(O)C1 808732171 582959383 /nfs/dbraw/zinc/95/93/83/582959383.db2.gz DSIHAKPTAHCLOM-LLVKDONJSA-N 0 3 199.294 1.058 20 0 ADADHN COc1cncc(CN(C)C(C)C)c1 808734305 582959404 /nfs/dbraw/zinc/95/94/04/582959404.db2.gz RSEPGXNWWYWNCS-UHFFFAOYSA-N 0 3 194.278 1.930 20 0 ADADHN CC(C)C(=O)CCN1C[C@@H](O)C[C@@H]1C 808750170 582959835 /nfs/dbraw/zinc/95/98/35/582959835.db2.gz JONSFHOLDMBKQX-UWVGGRQHSA-N 0 3 199.294 1.057 20 0 ADADHN CC(C)C(=O)CCN(C)C1CC(O)C1 808746163 582960095 /nfs/dbraw/zinc/96/00/95/582960095.db2.gz JSCFWQPZOHBRJR-UHFFFAOYSA-N 0 3 199.294 1.057 20 0 ADADHN CC(C)C(=O)CCN1C[C@@H](O)C[C@H]1C 808750172 582960156 /nfs/dbraw/zinc/96/01/56/582960156.db2.gz JONSFHOLDMBKQX-ZJUUUORDSA-N 0 3 199.294 1.057 20 0 ADADHN CC(C)C(=O)CCN1C[C@H](O)C[C@H]1C 808750169 582960294 /nfs/dbraw/zinc/96/02/94/582960294.db2.gz JONSFHOLDMBKQX-NXEZZACHSA-N 0 3 199.294 1.057 20 0 ADADHN CC(C)C(=O)CCN1C[C@H](O)C[C@@H]1C 808750171 582960381 /nfs/dbraw/zinc/96/03/81/582960381.db2.gz JONSFHOLDMBKQX-VHSXEESVSA-N 0 3 199.294 1.057 20 0 ADADHN CCN(Cc1c(C)cnn1C)C(C)C 809542935 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/nfs/dbraw/zinc/04/39/23/583043923.db2.gz VYVNKWUNNXYARZ-QMMMGPOBSA-N 0 3 198.310 1.419 20 0 ADADHN C1C[C@H](CCN2CC3(CC3)C2)CO1 824533234 583044402 /nfs/dbraw/zinc/04/44/02/583044402.db2.gz CFDJTNRWFSCSKK-JTQLQIEISA-N 0 3 181.279 1.509 20 0 ADADHN C1=CO[C@H](CN2CC3(CC3)C2)CC1 824533904 583044546 /nfs/dbraw/zinc/04/45/46/583044546.db2.gz RZJIESXDSFBRNY-JTQLQIEISA-N 0 3 179.263 1.775 20 0 ADADHN C1C[C@@H](CCN2CC3(CC3)C2)CO1 824533236 583044679 /nfs/dbraw/zinc/04/46/79/583044679.db2.gz CFDJTNRWFSCSKK-SNVBAGLBSA-N 0 3 181.279 1.509 20 0 ADADHN CCN(Cc1cnc(C)n1C)C(C)C 824549230 583044859 /nfs/dbraw/zinc/04/48/59/583044859.db2.gz ZONSLJUUGZVQIO-UHFFFAOYSA-N 0 3 195.310 1.959 20 0 ADADHN COCC(C)(C)CN1CC2(CC2)C1 824533375 583045157 /nfs/dbraw/zinc/04/51/57/583045157.db2.gz DXZNZOBWYPIMPG-UHFFFAOYSA-N 0 3 183.295 1.755 20 0 ADADHN C1=CO[C@@H](CN2CC3(CC3)C2)CC1 824533905 583045286 /nfs/dbraw/zinc/04/52/86/583045286.db2.gz RZJIESXDSFBRNY-SNVBAGLBSA-N 0 3 179.263 1.775 20 0 ADADHN Cc1cc(CN[C@H]2C[C@@H](O)C2)c(C)o1 825256954 583046888 /nfs/dbraw/zinc/04/68/88/583046888.db2.gz OGWSDQDHWLKMRM-PHIMTYICSA-N 0 3 195.262 1.509 20 0 ADADHN CCN(CC[S@](C)=O)CC(C)C 827400145 583054161 /nfs/dbraw/zinc/05/41/61/583054161.db2.gz CDUQSGDGOAVUQW-LBPRGKRZSA-N 0 3 191.340 1.343 20 0 ADADHN CCN(CC[S@@](C)=O)C(C)C 827468175 583054251 /nfs/dbraw/zinc/05/42/51/583054251.db2.gz NGHKXQYKOBQETJ-LLVKDONJSA-N 0 3 177.313 1.095 20 0 ADADHN CCC[C@@H](C)N(C)CC[S@@](C)=O 827400075 583054254 /nfs/dbraw/zinc/05/42/54/583054254.db2.gz AYIAKLWOVSUGQN-BXKDBHETSA-N 0 3 191.340 1.485 20 0 ADADHN CCN(CC[S@](C)=O)C(C)C 827468180 583054342 /nfs/dbraw/zinc/05/43/42/583054342.db2.gz NGHKXQYKOBQETJ-NSHDSACASA-N 0 3 177.313 1.095 20 0 ADADHN CCC[C@@H](C)N(C)CC[S@](C)=O 827400078 583054588 /nfs/dbraw/zinc/05/45/88/583054588.db2.gz AYIAKLWOVSUGQN-SKDRFNHKSA-N 0 3 191.340 1.485 20 0 ADADHN CCC[C@H](C)N(C)CC[S@@](C)=O 827400077 583054665 /nfs/dbraw/zinc/05/46/65/583054665.db2.gz AYIAKLWOVSUGQN-JOYOIKCWSA-N 0 3 191.340 1.485 20 0 ADADHN CCN(CC[S@@](C)=O)CC(C)C 827400144 583054681 /nfs/dbraw/zinc/05/46/81/583054681.db2.gz CDUQSGDGOAVUQW-GFCCVEGCSA-N 0 3 191.340 1.343 20 0 ADADHN CCC[C@H](C)N(C)CC[S@](C)=O 827400076 583054721 /nfs/dbraw/zinc/05/47/21/583054721.db2.gz AYIAKLWOVSUGQN-CABZTGNLSA-N 0 3 191.340 1.485 20 0 ADADHN CN(CC[S@@](C)=O)CC(C)(C)C 827650015 583054966 /nfs/dbraw/zinc/05/49/66/583054966.db2.gz RHIKXHLLZWDAHD-GFCCVEGCSA-N 0 3 191.340 1.343 20 0 ADADHN CCCN(CC[S@](C)=O)C1CC1 827680330 583055099 /nfs/dbraw/zinc/05/50/99/583055099.db2.gz QAOSMYRVABPRBV-LBPRGKRZSA-N 0 3 189.324 1.239 20 0 ADADHN CN(CC[S@](C)=O)CC(C)(C)C 827650016 583055146 /nfs/dbraw/zinc/05/51/46/583055146.db2.gz RHIKXHLLZWDAHD-LBPRGKRZSA-N 0 3 191.340 1.343 20 0 ADADHN CCCN(CC[S@@](C)=O)C1CC1 827680329 583055319 /nfs/dbraw/zinc/05/53/19/583055319.db2.gz QAOSMYRVABPRBV-GFCCVEGCSA-N 0 3 189.324 1.239 20 0 ADADHN C[C@H]1CN(CC2=CCCC2)CCN1C 828103452 583056733 /nfs/dbraw/zinc/05/67/33/583056733.db2.gz MLPYRXMXXQZPCP-NSHDSACASA-N 0 3 194.322 1.733 20 0 ADADHN C[C@@H]1CN(CC2=CCCC2)CCN1C 828103451 583057218 /nfs/dbraw/zinc/05/72/18/583057218.db2.gz MLPYRXMXXQZPCP-LLVKDONJSA-N 0 3 194.322 1.733 20 0 ADADHN CCC(C)(C)N(C)CC[S@](C)=O 828307278 583057367 /nfs/dbraw/zinc/05/73/67/583057367.db2.gz XHLIHPNJEDKZJX-LBPRGKRZSA-N 0 3 191.340 1.485 20 0 ADADHN CCC(C)(C)N(C)CC[S@@](C)=O 828307277 583057433 /nfs/dbraw/zinc/05/74/33/583057433.db2.gz XHLIHPNJEDKZJX-GFCCVEGCSA-N 0 3 191.340 1.485 20 0 ADADHN CC[C@@H](C)N(C)CC[S@](C)=O 828272766 583057562 /nfs/dbraw/zinc/05/75/62/583057562.db2.gz CWDPWYVYVNJBKR-KCJUWKMLSA-N 0 3 177.313 1.095 20 0 ADADHN CC[C@H](C)N(C)CC[S@](C)=O 828272767 583057612 /nfs/dbraw/zinc/05/76/12/583057612.db2.gz CWDPWYVYVNJBKR-KWQFWETISA-N 0 3 177.313 1.095 20 0 ADADHN CC[C@H](C)N(C)CC[S@@](C)=O 828272765 583057753 /nfs/dbraw/zinc/05/77/53/583057753.db2.gz CWDPWYVYVNJBKR-GZMMTYOYSA-N 0 3 177.313 1.095 20 0 ADADHN CC[C@@H](C)N(C)CC[S@@](C)=O 828272768 583057983 /nfs/dbraw/zinc/05/79/83/583057983.db2.gz CWDPWYVYVNJBKR-LDYMZIIASA-N 0 3 177.313 1.095 20 0 ADADHN CN(CCC1CC1)CC[S@](C)=O 828435946 583059101 /nfs/dbraw/zinc/05/91/01/583059101.db2.gz QCHSCLWTLRBHOQ-LBPRGKRZSA-N 0 3 189.324 1.097 20 0 ADADHN CN(CCC1CC1)CC[S@@](C)=O 828435945 583059148 /nfs/dbraw/zinc/05/91/48/583059148.db2.gz QCHSCLWTLRBHOQ-GFCCVEGCSA-N 0 3 189.324 1.097 20 0 ADADHN CC(C)N(CC[S@](C)=O)C(C)C 828610753 583060305 /nfs/dbraw/zinc/06/03/05/583060305.db2.gz ZDGSQAWDPBCTJP-LBPRGKRZSA-N 0 3 191.340 1.484 20 0 ADADHN CC(C)N(CC[S@@](C)=O)C(C)C 828610752 583060387 /nfs/dbraw/zinc/06/03/87/583060387.db2.gz ZDGSQAWDPBCTJP-GFCCVEGCSA-N 0 3 191.340 1.484 20 0 ADADHN CC1=CCCN(CC[S@](C)=O)C1 829404301 583062796 /nfs/dbraw/zinc/06/27/96/583062796.db2.gz ZLBXUUYUXFQRDM-LBPRGKRZSA-N 0 3 187.308 1.017 20 0 ADADHN CC1=CCCN(CC[S@@](C)=O)C1 829404300 583063146 /nfs/dbraw/zinc/06/31/46/583063146.db2.gz ZLBXUUYUXFQRDM-GFCCVEGCSA-N 0 3 187.308 1.017 20 0 ADADHN C[Si](C)(C)CN(C1CC1)C1COC1 830227703 583066382 /nfs/dbraw/zinc/06/63/82/583066382.db2.gz RKBUWLVJIMNRDI-UHFFFAOYSA-N 0 3 199.370 1.727 20 0 ADADHN COC[C@@]1(C)CCN(CCF)C1 830529939 583068287 /nfs/dbraw/zinc/06/82/87/583068287.db2.gz RVJRXDGOPAJZRO-VIFPVBQESA-N 0 3 175.247 1.314 20 0 ADADHN CN(CC[S@](C)=O)C(C)(C)C 830560979 583068680 /nfs/dbraw/zinc/06/86/80/583068680.db2.gz MCQHDEULOJJDOV-NSHDSACASA-N 0 3 177.313 1.095 20 0 ADADHN CN(CC[S@@](C)=O)C(C)(C)C 830560978 583068723 /nfs/dbraw/zinc/06/87/23/583068723.db2.gz MCQHDEULOJJDOV-LLVKDONJSA-N 0 3 177.313 1.095 20 0 ADADHN COC[C@]1(C)CCN(CCF)C1 830529937 583068767 /nfs/dbraw/zinc/06/87/67/583068767.db2.gz RVJRXDGOPAJZRO-SECBINFHSA-N 0 3 175.247 1.314 20 0 ADADHN CS[C@@H]1CCN(CCF)C1 830889262 583070603 /nfs/dbraw/zinc/07/06/03/583070603.db2.gz MXKJWAHOACNLGM-SSDOTTSWSA-N 0 3 163.261 1.393 20 0 ADADHN CS[C@H]1CCN(CCF)C1 830889265 583070957 /nfs/dbraw/zinc/07/09/57/583070957.db2.gz MXKJWAHOACNLGM-ZETCQYMHSA-N 0 3 163.261 1.393 20 0 ADADHN CO[C@H]1CCN(CCF)C[C@@H]1C 831534680 583074380 /nfs/dbraw/zinc/07/43/80/583074380.db2.gz QHAGTMOHRSRIHD-IUCAKERBSA-N 0 3 175.247 1.313 20 0 ADADHN CO[C@H]1CCN(CCF)C[C@H]1C 831534670 583074439 /nfs/dbraw/zinc/07/44/39/583074439.db2.gz QHAGTMOHRSRIHD-BDAKNGLRSA-N 0 3 175.247 1.313 20 0 ADADHN CO[C@@H]1CCN(CCF)C[C@H]1C 831534684 583074584 /nfs/dbraw/zinc/07/45/84/583074584.db2.gz QHAGTMOHRSRIHD-RKDXNWHRSA-N 0 3 175.247 1.313 20 0 ADADHN CO[C@@H]1CCN(CCF)C[C@@H]1C 831534678 583074838 /nfs/dbraw/zinc/07/48/38/583074838.db2.gz QHAGTMOHRSRIHD-DTWKUNHWSA-N 0 3 175.247 1.313 20 0 ADADHN CC(C)C(=O)CCN1CC[C@@H](O)[C@H]1C 832225015 583077284 /nfs/dbraw/zinc/07/72/84/583077284.db2.gz IWSGLZNENRYXPZ-MWLCHTKSSA-N 0 3 199.294 1.057 20 0 ADADHN COC[C@H]1CCCCN1CCF 832616043 583078552 /nfs/dbraw/zinc/07/85/52/583078552.db2.gz PJZYIYBAXHMNAI-SECBINFHSA-N 0 3 175.247 1.457 20 0 ADADHN COC[C@@H]1CCCCN1CCF 832616044 583078958 /nfs/dbraw/zinc/07/89/58/583078958.db2.gz PJZYIYBAXHMNAI-VIFPVBQESA-N 0 3 175.247 1.457 20 0 ADADHN CCC(=O)CCN1C[C@@H](C)C[C@@H](O)C1 832717997 583079816 /nfs/dbraw/zinc/07/98/16/583079816.db2.gz OJFWZKQIQGMYQY-GXSJLCMTSA-N 0 3 199.294 1.058 20 0 ADADHN C/C=C(/C)C(=O)OCCN(CC)CC 100980240 583083843 /nfs/dbraw/zinc/08/38/43/583083843.db2.gz OWSAXHKEEAJYCE-YHYXMXQVSA-N 0 3 199.294 1.838 20 0 ADADHN C/C=C(/C)C(=O)NC(C)(C)CN(C)C 837239660 583106879 /nfs/dbraw/zinc/10/68/79/583106879.db2.gz VYXLMDHMMAYFMC-CLFYSBASSA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C(\C)C(=O)NC(C)(C)CN(C)C 837239663 583106970 /nfs/dbraw/zinc/10/69/70/583106970.db2.gz VYXLMDHMMAYFMC-VQHVLOKHSA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C(/C)C(=O)N[C@H]1CCN(CC)C1 840542920 583110075 /nfs/dbraw/zinc/11/00/75/583110075.db2.gz IGUAYABVEVLCOZ-FWAPLPHYSA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C(/C)C(=O)N[C@@H]1CCN(CC)C1 840542923 583110299 /nfs/dbraw/zinc/11/02/99/583110299.db2.gz IGUAYABVEVLCOZ-ZUYFITGHSA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C(\C)C(=O)N[C@H]1CCN(CC)C1 840542921 583110354 /nfs/dbraw/zinc/11/03/54/583110354.db2.gz IGUAYABVEVLCOZ-LLGDCAAFSA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C(\C)C(=O)N[C@@H]1CCN(CC)C1 840542922 583110612 /nfs/dbraw/zinc/11/06/12/583110612.db2.gz IGUAYABVEVLCOZ-WXLQGSQKSA-N 0 3 196.294 1.163 20 0 ADADHN CCN(CC)Cc1ccc(C)nn1 840907559 583110783 /nfs/dbraw/zinc/11/07/83/583110783.db2.gz HHWBBCSEYFQMMX-UHFFFAOYSA-N 0 3 179.267 1.627 20 0 ADADHN CCCN(C)Cc1ccc(C)nn1 840910547 583110867 /nfs/dbraw/zinc/11/08/67/583110867.db2.gz PBVKZRVACPNYJF-UHFFFAOYSA-N 0 3 179.267 1.627 20 0 ADADHN Cc1ccc(CNC2(C)CCC2)nn1 840906093 583110947 /nfs/dbraw/zinc/11/09/47/583110947.db2.gz DDFJEPQPDOIFSE-UHFFFAOYSA-N 0 3 191.278 1.817 20 0 ADADHN Cc1ccc(CN(C)CC(C)C)nn1 840910464 583111208 /nfs/dbraw/zinc/11/12/08/583111208.db2.gz NAKFSCKZSLTDIE-UHFFFAOYSA-N 0 3 193.294 1.873 20 0 ADADHN Cc1ccc(CN(C)CC2CC2)nn1 840910069 583111241 /nfs/dbraw/zinc/11/12/41/583111241.db2.gz FCYWAKCPMHUVBG-UHFFFAOYSA-N 0 3 191.278 1.627 20 0 ADADHN C/C=C(\C)C(=O)NCC1(N(C)C)CC1 841454752 583113824 /nfs/dbraw/zinc/11/38/24/583113824.db2.gz HEHYOFDBOOEASG-WEVVVXLNSA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C(/C)C(=O)NCC1(N(C)C)CC1 841454747 583114342 /nfs/dbraw/zinc/11/43/42/583114342.db2.gz HEHYOFDBOOEASG-UITAMQMPSA-N 0 3 196.294 1.163 20 0 ADADHN Cc1cc(CN(C)CC2CC2)n(C)n1 841834859 583118145 /nfs/dbraw/zinc/11/81/45/583118145.db2.gz VJTOWYMNTOLHCD-UHFFFAOYSA-N 0 3 193.294 1.570 20 0 ADADHN CCCN(CC)Cc1cc(C)nn1C 841831329 583118315 /nfs/dbraw/zinc/11/83/15/583118315.db2.gz WUZWLKSXYSAPQW-UHFFFAOYSA-N 0 3 195.310 1.960 20 0 ADADHN CCN(Cc1cc(C)nn1C)C(C)C 841827637 583118615 /nfs/dbraw/zinc/11/86/15/583118615.db2.gz ANGRHXDRLJRCSQ-UHFFFAOYSA-N 0 3 195.310 1.959 20 0 ADADHN CN(CCC(C)(C)C)Cn1cnnc1 842630355 583127651 /nfs/dbraw/zinc/12/76/51/583127651.db2.gz BUTQPWDFWSLESJ-UHFFFAOYSA-N 0 3 196.298 1.604 20 0 ADADHN C[C@@H]1C[C@@H](N[C@H](C)c2ccc[nH]2)CO1 842695220 583128596 /nfs/dbraw/zinc/12/85/96/583128596.db2.gz SJEBGDYWAPNTHM-OPRDCNLKSA-N 0 3 194.278 1.843 20 0 ADADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc[nH]1 842695219 583128620 /nfs/dbraw/zinc/12/86/20/583128620.db2.gz SJEBGDYWAPNTHM-KXUCPTDWSA-N 0 3 194.278 1.843 20 0 ADADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc[nH]1 842695221 583128966 /nfs/dbraw/zinc/12/89/66/583128966.db2.gz SJEBGDYWAPNTHM-UTLUCORTSA-N 0 3 194.278 1.843 20 0 ADADHN C[C@@H]1C[C@H](N[C@H](C)c2ccc[nH]2)CO1 842695218 583129008 /nfs/dbraw/zinc/12/90/08/583129008.db2.gz SJEBGDYWAPNTHM-BBBLOLIVSA-N 0 3 194.278 1.843 20 0 ADADHN CCc1noc([C@@H]2CCN(C)[C@@H]2C)n1 843319598 583132038 /nfs/dbraw/zinc/13/20/38/583132038.db2.gz KDDBRNVCWDJVKE-HTQZYQBOSA-N 0 3 195.266 1.440 20 0 ADADHN CN(CCC(C)(C)C)C(=O)[C@@H]1C[C@@H]1N 843505164 583133290 /nfs/dbraw/zinc/13/32/90/583133290.db2.gz CFWLYTBKQZLBTE-BDAKNGLRSA-N 0 3 198.310 1.228 20 0 ADADHN CCOCCN1C[C@@H]2[C@H](C1)C2(F)F 844456218 583140397 /nfs/dbraw/zinc/14/03/97/583140397.db2.gz YVRUVKDAOWPIPL-OCAPTIKFSA-N 0 3 191.221 1.220 20 0 ADADHN C[C@@H](CCO)N(C)C/C=C/Cl 844448281 583141259 /nfs/dbraw/zinc/14/12/59/583141259.db2.gz XYUHRDPXEMVYLD-WGAJWPLOSA-N 0 3 177.675 1.442 20 0 ADADHN COCCCN1C[C@@H]2[C@H](C1)C2(F)F 844452721 583141318 /nfs/dbraw/zinc/14/13/18/583141318.db2.gz MNNKRBXPDZUBEL-OCAPTIKFSA-N 0 3 191.221 1.220 20 0 ADADHN C[C@H](CCO)N(C)C/C=C\Cl 844448279 583141363 /nfs/dbraw/zinc/14/13/63/583141363.db2.gz XYUHRDPXEMVYLD-QIUOEGRZSA-N 0 3 177.675 1.442 20 0 ADADHN C[C@@H](CCO)N(C)C/C=C\Cl 844448278 583141375 /nfs/dbraw/zinc/14/13/75/583141375.db2.gz XYUHRDPXEMVYLD-NHLYECAPSA-N 0 3 177.675 1.442 20 0 ADADHN C[C@H](CCO)N(C)C/C=C/Cl 844448280 583141458 /nfs/dbraw/zinc/14/14/58/583141458.db2.gz XYUHRDPXEMVYLD-RYEJSQLPSA-N 0 3 177.675 1.442 20 0 ADADHN CSCCN1C[C@@H]2[C@H](C1)C2(F)F 844452478 583141610 /nfs/dbraw/zinc/14/16/10/583141610.db2.gz MDEGXJNEDANTOM-KNVOCYPGSA-N 0 3 193.262 1.546 20 0 ADADHN CCCN1C[C@@H]2[C@H](C1)C2(F)F 844451023 583141710 /nfs/dbraw/zinc/14/17/10/583141710.db2.gz INYHLWILQMAMEO-KNVOCYPGSA-N 0 3 161.195 1.593 20 0 ADADHN FCCCN1C[C@@H]2[C@H](C1)C2(F)F 844456084 583141718 /nfs/dbraw/zinc/14/17/18/583141718.db2.gz SYAKDCYWQXJFLF-KNVOCYPGSA-N 0 3 179.185 1.543 20 0 ADADHN CCN1C[C@@H]2[C@H](C1)C2(F)F 844454528 583141855 /nfs/dbraw/zinc/14/18/55/583141855.db2.gz ZMMPLLBEQSVWQL-OLQVQODUSA-N 0 3 147.168 1.203 20 0 ADADHN COC[C@@H](C)N1C[C@@H]2[C@H](C1)C2(F)F 844451339 583142085 /nfs/dbraw/zinc/14/20/85/583142085.db2.gz OZEXJHSLVGBDGT-PRJMDXOYSA-N 0 3 191.221 1.218 20 0 ADADHN COC[C@H](C)N1C[C@@H]2[C@H](C1)C2(F)F 844451337 583142106 /nfs/dbraw/zinc/14/21/06/583142106.db2.gz OZEXJHSLVGBDGT-BIIVOSGPSA-N 0 3 191.221 1.218 20 0 ADADHN CO[C@H](C)CN1C[C@@H]2[C@H](C1)C2(F)F 844460561 583142419 /nfs/dbraw/zinc/14/24/19/583142419.db2.gz XZKVBBALYHVJKB-PRJMDXOYSA-N 0 3 191.221 1.218 20 0 ADADHN CO[C@@H](C)CN1C[C@@H]2[C@H](C1)C2(F)F 844460558 583142448 /nfs/dbraw/zinc/14/24/48/583142448.db2.gz XZKVBBALYHVJKB-BIIVOSGPSA-N 0 3 191.221 1.218 20 0 ADADHN FCCCCN1C[C@@H]2[C@H](C1)C2(F)F 844464310 583142657 /nfs/dbraw/zinc/14/26/57/583142657.db2.gz WQMAUEQKGUGYNI-OCAPTIKFSA-N 0 3 193.212 1.933 20 0 ADADHN CN(CCF)CCN1CCCCC1 844464851 583142831 /nfs/dbraw/zinc/14/28/31/583142831.db2.gz VFMJGMSPEAPXMX-UHFFFAOYSA-N 0 3 188.290 1.374 20 0 ADADHN C[C@@H](CN1CCCC1)OC(=O)C1CC1 845672622 583150823 /nfs/dbraw/zinc/15/08/23/583150823.db2.gz AEVQNWKNQZALQS-VIFPVBQESA-N 0 3 197.278 1.424 20 0 ADADHN CCC(=O)O[C@@H](C)CN1CCCC1 845662717 583150879 /nfs/dbraw/zinc/15/08/79/583150879.db2.gz CJDICOZDFGDKCT-VIFPVBQESA-N 0 3 185.267 1.424 20 0 ADADHN CC(C)C(=O)O[C@@H](C)CN1CCCC1 845672850 583150926 /nfs/dbraw/zinc/15/09/26/583150926.db2.gz RFXKSJFWLMNNNI-JTQLQIEISA-N 0 3 199.294 1.670 20 0 ADADHN CCCC(=O)O[C@@H](C)CN1CCCC1 845670677 583150972 /nfs/dbraw/zinc/15/09/72/583150972.db2.gz DVYMCMJODHTKKL-JTQLQIEISA-N 0 3 199.294 1.814 20 0 ADADHN CC(=O)OC[C@H]1CCN1C(C)(C)C 845737709 583151391 /nfs/dbraw/zinc/15/13/91/583151391.db2.gz IXWBHRMUUUACMF-SECBINFHSA-N 0 3 185.267 1.422 20 0 ADADHN CCC(=O)OC[C@H]1CCN1C(C)(C)C 845736745 583151500 /nfs/dbraw/zinc/15/15/00/583151500.db2.gz UWZBHTJDUWMHOC-SECBINFHSA-N 0 3 199.294 1.812 20 0 ADADHN CCC(=O)OC[C@@H]1CCN1C(C)(C)C 845736746 583151722 /nfs/dbraw/zinc/15/17/22/583151722.db2.gz UWZBHTJDUWMHOC-VIFPVBQESA-N 0 3 199.294 1.812 20 0 ADADHN CC(=O)OC[C@@H]1CCN1C(C)(C)C 845737710 583151768 /nfs/dbraw/zinc/15/17/68/583151768.db2.gz IXWBHRMUUUACMF-VIFPVBQESA-N 0 3 185.267 1.422 20 0 ADADHN Cc1ccc(CNC2CC=CC2)nn1 846073302 583153095 /nfs/dbraw/zinc/15/30/95/583153095.db2.gz KNYHVPATFIDFDF-UHFFFAOYSA-N 0 3 189.262 1.593 20 0 ADADHN CC1(CN2C[C@@H]3[C@H](C2)C3(F)F)CC1 846113415 583153116 /nfs/dbraw/zinc/15/31/16/583153116.db2.gz XXERQJOHOQEKMF-OCAPTIKFSA-N 0 3 187.233 1.983 20 0 ADADHN OC[C@@H](NCc1ccco1)C1CC1 107128239 583164664 /nfs/dbraw/zinc/16/46/64/583164664.db2.gz WYIIEYZIONGIQL-SNVBAGLBSA-N 0 3 181.235 1.140 20 0 ADADHN OC[C@H](NCc1ccco1)C1CC1 107128238 583164667 /nfs/dbraw/zinc/16/46/67/583164667.db2.gz WYIIEYZIONGIQL-JTQLQIEISA-N 0 3 181.235 1.140 20 0 ADADHN OCC[C@@H](NCc1ccco1)C1CC1 107138521 583164677 /nfs/dbraw/zinc/16/46/77/583164677.db2.gz VWXYJQYVEWGMSU-LLVKDONJSA-N 0 3 195.262 1.530 20 0 ADADHN CCCN(CC1OCCO1)C(C)C 847029948 583161391 /nfs/dbraw/zinc/16/13/91/583161391.db2.gz YYXSHROMAWTRQN-UHFFFAOYSA-N 0 3 187.283 1.480 20 0 ADADHN OCC[C@H](NCc1ccco1)C1CC1 107138518 583164627 /nfs/dbraw/zinc/16/46/27/583164627.db2.gz VWXYJQYVEWGMSU-NSHDSACASA-N 0 3 195.262 1.530 20 0 ADADHN NCc1cnn(-c2ccc(O)cc2)c1 107349794 583165322 /nfs/dbraw/zinc/16/53/22/583165322.db2.gz VERXENQHCHTZLO-UHFFFAOYSA-N 0 3 189.218 1.037 20 0 ADADHN C=C=CCNC(=O)[C@@H](C(C)C)N(C)C 848115522 583166812 /nfs/dbraw/zinc/16/68/12/583166812.db2.gz IOTQEMOTLOBQDQ-SNVBAGLBSA-N 0 3 196.294 1.030 20 0 ADADHN C=C=CCNC(=O)[C@H](C(C)C)N(C)C 848115521 583167005 /nfs/dbraw/zinc/16/70/05/583167005.db2.gz IOTQEMOTLOBQDQ-JTQLQIEISA-N 0 3 196.294 1.030 20 0 ADADHN CON(C)CCN[C@H](C)c1ccoc1 850479618 583185260 /nfs/dbraw/zinc/18/52/60/583185260.db2.gz AHXBIIFLCJOUNG-SECBINFHSA-N 0 3 198.266 1.423 20 0 ADADHN CON(C)CCN[C@@H](C)c1ccco1 850480288 583185379 /nfs/dbraw/zinc/18/53/79/583185379.db2.gz ORYBXAVATLVXLX-VIFPVBQESA-N 0 3 198.266 1.423 20 0 ADADHN CC[C@@H](O)CNCc1cc(C)oc1C 850373072 583185533 /nfs/dbraw/zinc/18/55/33/583185533.db2.gz BHNHURXLMKAQRV-LLVKDONJSA-N 0 3 197.278 1.757 20 0 ADADHN Cc1ncc(CN[C@H]2C[C@H](O)C2)s1 850417983 583185602 /nfs/dbraw/zinc/18/56/02/583185602.db2.gz UTXNNCYRCRKWEF-ZKCHVHJHSA-N 0 3 198.291 1.064 20 0 ADADHN CON(C)CCN[C@@H](C)c1ccoc1 850479621 583185627 /nfs/dbraw/zinc/18/56/27/583185627.db2.gz AHXBIIFLCJOUNG-VIFPVBQESA-N 0 3 198.266 1.423 20 0 ADADHN CC[C@@H](O)CNCc1ccc(F)nc1 850373453 583185650 /nfs/dbraw/zinc/18/56/50/583185650.db2.gz KJJWKXIJVPVHRU-SECBINFHSA-N 0 3 198.241 1.081 20 0 ADADHN CON(C)CCN[C@H](C)c1ccco1 850480287 583185753 /nfs/dbraw/zinc/18/57/53/583185753.db2.gz ORYBXAVATLVXLX-SECBINFHSA-N 0 3 198.266 1.423 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@H](O)C2)cn1 850417637 583185761 /nfs/dbraw/zinc/18/57/61/583185761.db2.gz GOQAVSOUZCCOOZ-XYPYZODXSA-N 0 3 192.262 1.003 20 0 ADADHN Cc1cc(CN[C@H]2C[C@H](O)C2)c(C)o1 850417841 583185810 /nfs/dbraw/zinc/18/58/10/583185810.db2.gz OGWSDQDHWLKMRM-XYPYZODXSA-N 0 3 195.262 1.509 20 0 ADADHN CC1(C)OC[C@@H](CN2CCCCC2)O1 851723531 583189818 /nfs/dbraw/zinc/18/98/18/583189818.db2.gz ZSPONZSBNFMOHS-SNVBAGLBSA-N 0 3 199.294 1.624 20 0 ADADHN CCN(C[C@H]1COC(C)(C)O1)C1CC1 851726694 583190155 /nfs/dbraw/zinc/19/01/55/583190155.db2.gz UDPDWNUTAMCFDK-JTQLQIEISA-N 0 3 199.294 1.622 20 0 ADADHN CCN(C[C@@H]1COC(C)(C)O1)C1CC1 851726695 583190217 /nfs/dbraw/zinc/19/02/17/583190217.db2.gz UDPDWNUTAMCFDK-SNVBAGLBSA-N 0 3 199.294 1.622 20 0 ADADHN CC1(C)OC[C@H](CN2CCCCC2)O1 851723530 583190534 /nfs/dbraw/zinc/19/05/34/583190534.db2.gz ZSPONZSBNFMOHS-JTQLQIEISA-N 0 3 199.294 1.624 20 0 ADADHN CCCN(C)C[C@@H](O)c1ccccn1 851739220 583190968 /nfs/dbraw/zinc/19/09/68/583190968.db2.gz GDIHTDGTPHBUEO-LLVKDONJSA-N 0 3 194.278 1.457 20 0 ADADHN CN(C[C@@H]1COC(C)(C)O1)C1CC1 851727501 583191670 /nfs/dbraw/zinc/19/16/70/583191670.db2.gz PNNDKRBQMPLDHY-SECBINFHSA-N 0 3 185.267 1.232 20 0 ADADHN CCN(CC(=O)NC)CC1CC=CC1 851734451 583191711 /nfs/dbraw/zinc/19/17/11/583191711.db2.gz SANVDASOPZVFOI-UHFFFAOYSA-N 0 3 196.294 1.021 20 0 ADADHN CCCN(C)C[C@H](O)c1ccccn1 851739221 583191723 /nfs/dbraw/zinc/19/17/23/583191723.db2.gz GDIHTDGTPHBUEO-NSHDSACASA-N 0 3 194.278 1.457 20 0 ADADHN CN(C[C@H]1COC(C)(C)O1)C1CC1 851727502 583191795 /nfs/dbraw/zinc/19/17/95/583191795.db2.gz PNNDKRBQMPLDHY-VIFPVBQESA-N 0 3 185.267 1.232 20 0 ADADHN CCN(CCC1CCC1)CC(=O)NC 851733874 583191900 /nfs/dbraw/zinc/19/19/00/583191900.db2.gz IQVHRFPKFNQPMD-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN(CCC=C(C)C)CC(=O)NC 851734962 583191923 /nfs/dbraw/zinc/19/19/23/583191923.db2.gz ZCMMLXYTRHCMQQ-UHFFFAOYSA-N 0 3 198.310 1.411 20 0 ADADHN CC(C)=CCCN1CCCNC(=O)C1 851747661 583193137 /nfs/dbraw/zinc/19/31/37/583193137.db2.gz ICFIRHWWNBSCMZ-UHFFFAOYSA-N 0 3 196.294 1.165 20 0 ADADHN CC(C)=CCCN1CCN(C)[C@@H](C)C1 851877300 583197644 /nfs/dbraw/zinc/19/76/44/583197644.db2.gz ZUHLKVLQVXPNJN-LBPRGKRZSA-N 0 3 196.338 1.979 20 0 ADADHN CC(C)=CCCN1CCN(C)[C@H](C)C1 851877299 583197730 /nfs/dbraw/zinc/19/77/30/583197730.db2.gz ZUHLKVLQVXPNJN-GFCCVEGCSA-N 0 3 196.338 1.979 20 0 ADADHN CC(C)C(NCc1cnon1)C(C)C 851906806 583198503 /nfs/dbraw/zinc/19/85/03/583198503.db2.gz ATMMPUDZCLIRKE-UHFFFAOYSA-N 0 3 197.282 1.840 20 0 ADADHN CC1(C)OC[C@H](CN2CC=CCC2)O1 851911158 583200056 /nfs/dbraw/zinc/20/00/56/583200056.db2.gz VLZPWTUWHWYKIG-JTQLQIEISA-N 0 3 197.278 1.400 20 0 ADADHN C[C@@H]1CCCC[C@H]1NCc1cnon1 851928535 583200242 /nfs/dbraw/zinc/20/02/42/583200242.db2.gz UPEVUBIBSUWICU-PSASIEDQSA-N 0 3 195.266 1.738 20 0 ADADHN C[C@H]1CCCC[C@@H]1NCc1cnon1 851928538 583200302 /nfs/dbraw/zinc/20/03/02/583200302.db2.gz UPEVUBIBSUWICU-WPRPVWTQSA-N 0 3 195.266 1.738 20 0 ADADHN C[C@H]1CCCC[C@H]1NCc1cnon1 851928537 583200434 /nfs/dbraw/zinc/20/04/34/583200434.db2.gz UPEVUBIBSUWICU-WCBMZHEXSA-N 0 3 195.266 1.738 20 0 ADADHN C[C@@H]1CCCC[C@@H]1NCc1cnon1 851928536 583200674 /nfs/dbraw/zinc/20/06/74/583200674.db2.gz UPEVUBIBSUWICU-SCZZXKLOSA-N 0 3 195.266 1.738 20 0 ADADHN CC1(C)OC[C@@H](CN2CC=CCC2)O1 851911161 583200752 /nfs/dbraw/zinc/20/07/52/583200752.db2.gz VLZPWTUWHWYKIG-SNVBAGLBSA-N 0 3 197.278 1.400 20 0 ADADHN CC1=CCCN(C[C@@H]2CCC(=O)O2)C1 852008102 583202720 /nfs/dbraw/zinc/20/27/20/583202720.db2.gz SSMJVKMYUFSYCO-JTQLQIEISA-N 0 3 195.262 1.344 20 0 ADADHN CC1=CCCN(C[C@H]2CCC(=O)O2)C1 852008103 583202974 /nfs/dbraw/zinc/20/29/74/583202974.db2.gz SSMJVKMYUFSYCO-SNVBAGLBSA-N 0 3 195.262 1.344 20 0 ADADHN CO[C@@H]1CC[C@H](N2CC[C@H](F)C2)C1 852109585 583204696 /nfs/dbraw/zinc/20/46/96/583204696.db2.gz CPQGDBNBUJIMTE-LPEHRKFASA-N 0 3 187.258 1.598 20 0 ADADHN CO[C@@H]1CC[C@@H](N2CC[C@H](F)C2)C1 852109570 583205000 /nfs/dbraw/zinc/20/50/00/583205000.db2.gz CPQGDBNBUJIMTE-IVZWLZJFSA-N 0 3 187.258 1.598 20 0 ADADHN CC[C@@H](C)N(CC)CC1OCCO1 852291371 583205714 /nfs/dbraw/zinc/20/57/14/583205714.db2.gz TZNURWCGFSQIQW-SECBINFHSA-N 0 3 187.283 1.480 20 0 ADADHN CC[C@H](C)N(CC)CC1OCCO1 852291374 583205761 /nfs/dbraw/zinc/20/57/61/583205761.db2.gz TZNURWCGFSQIQW-VIFPVBQESA-N 0 3 187.283 1.480 20 0 ADADHN O=C1OCC[C@@H]1N1C[C@@H]2CCCC[C@@H]21 852220593 583205850 /nfs/dbraw/zinc/20/58/50/583205850.db2.gz UMIMMVXHDQHPOX-GUBZILKMSA-N 0 3 195.262 1.176 20 0 ADADHN CN(Cc1c[nH]cn1)C[Si](C)(C)C 852284813 583205904 /nfs/dbraw/zinc/20/59/04/583205904.db2.gz UEPVMBDOHJESMN-UHFFFAOYSA-N 0 3 197.358 1.719 20 0 ADADHN C1CC[C@H]2[C@@H](C1)CN2CC1OCCO1 852220568 583205938 /nfs/dbraw/zinc/20/59/38/583205938.db2.gz SUZAAQJAQUEONY-UWVGGRQHSA-N 0 3 197.278 1.234 20 0 ADADHN CC[C@@H](C)N(CC)CC[S@](C)=O 852291337 583206012 /nfs/dbraw/zinc/20/60/12/583206012.db2.gz SYBSCHRQJYHNAD-SKDRFNHKSA-N 0 3 191.340 1.485 20 0 ADADHN CC[C@H](C)N(CC)CC[S@@](C)=O 852291336 583206115 /nfs/dbraw/zinc/20/61/15/583206115.db2.gz SYBSCHRQJYHNAD-JOYOIKCWSA-N 0 3 191.340 1.485 20 0 ADADHN CC[C@@H](C)N(CC)CC[S@@](C)=O 852291331 583206215 /nfs/dbraw/zinc/20/62/15/583206215.db2.gz SYBSCHRQJYHNAD-BXKDBHETSA-N 0 3 191.340 1.485 20 0 ADADHN CC[C@H](C)N(CC)CC[S@](C)=O 852291334 583206244 /nfs/dbraw/zinc/20/62/44/583206244.db2.gz SYBSCHRQJYHNAD-CABZTGNLSA-N 0 3 191.340 1.485 20 0 ADADHN Cc1oncc1CN1CC[C@@H]2C[C@@H]2C1 852634319 583208444 /nfs/dbraw/zinc/20/84/44/583208444.db2.gz GHZVJRNFPKLLNF-NXEZZACHSA-N 0 3 192.262 1.825 20 0 ADADHN C[C@@H](O)[C@H]1CCCN1C/C=C\Cl 852558476 583208684 /nfs/dbraw/zinc/20/86/84/583208684.db2.gz ARANGEOFOJSFJN-NUDHGDNISA-N 0 3 189.686 1.584 20 0 ADADHN C[C@H](O)[C@H]1CCCN1C/C=C\Cl 852558474 583208713 /nfs/dbraw/zinc/20/87/13/583208713.db2.gz ARANGEOFOJSFJN-LPMXFETPSA-N 0 3 189.686 1.584 20 0 ADADHN Cc1oncc1CN1CC[C@H]2C[C@H]2C1 852634321 583208803 /nfs/dbraw/zinc/20/88/03/583208803.db2.gz GHZVJRNFPKLLNF-UWVGGRQHSA-N 0 3 192.262 1.825 20 0 ADADHN C[C@@H](O)[C@H]1CCCN1C/C=C/Cl 852558478 583209028 /nfs/dbraw/zinc/20/90/28/583209028.db2.gz ARANGEOFOJSFJN-ZZDZINKYSA-N 0 3 189.686 1.584 20 0 ADADHN C[C@H](O)[C@H]1CCCN1C/C=C/Cl 852558473 583209188 /nfs/dbraw/zinc/20/91/88/583209188.db2.gz ARANGEOFOJSFJN-AFRAPRFESA-N 0 3 189.686 1.584 20 0 ADADHN CN(CC1OCCO1)C[C@H]1CC1(C)C 852771881 583210839 /nfs/dbraw/zinc/21/08/39/583210839.db2.gz JFWXDHNFUBEWLL-SECBINFHSA-N 0 3 199.294 1.337 20 0 ADADHN CN(Cc1c[nH]cn1)C[C@@H]1CC1(C)C 852771567 583210879 /nfs/dbraw/zinc/21/08/79/583210879.db2.gz GKNSSLLONRFZAH-VIFPVBQESA-N 0 3 193.294 1.888 20 0 ADADHN CN(Cc1cnc[nH]1)C[C@@H]1CC1(C)C 852771567 583210883 /nfs/dbraw/zinc/21/08/83/583210883.db2.gz GKNSSLLONRFZAH-VIFPVBQESA-N 0 3 193.294 1.888 20 0 ADADHN CN(Cc1c[nH]cn1)C[C@H]1CC1(C)C 852771560 583211307 /nfs/dbraw/zinc/21/13/07/583211307.db2.gz GKNSSLLONRFZAH-SECBINFHSA-N 0 3 193.294 1.888 20 0 ADADHN CN(Cc1cnc[nH]1)C[C@H]1CC1(C)C 852771560 583211308 /nfs/dbraw/zinc/21/13/08/583211308.db2.gz GKNSSLLONRFZAH-SECBINFHSA-N 0 3 193.294 1.888 20 0 ADADHN CN(CC1OCCO1)C[C@@H]1CC1(C)C 852771883 583211710 /nfs/dbraw/zinc/21/17/10/583211710.db2.gz JFWXDHNFUBEWLL-VIFPVBQESA-N 0 3 199.294 1.337 20 0 ADADHN N[C@@H]1CN(C/C=C\Cl)CC[C@H]1F 852762221 583211727 /nfs/dbraw/zinc/21/17/27/583211727.db2.gz JPRKJFAXCUBFKY-RCIMOULMSA-N 0 3 192.665 1.110 20 0 ADADHN N[C@@H]1CN(C/C=C/Cl)CC[C@H]1F 852762220 583211800 /nfs/dbraw/zinc/21/18/00/583211800.db2.gz JPRKJFAXCUBFKY-JHZMRROCSA-N 0 3 192.665 1.110 20 0 ADADHN CCNCC(=O)N(C)C[C@H]1CC1(C)C 852923807 583214309 /nfs/dbraw/zinc/21/43/09/583214309.db2.gz FFJPSWJYURESSX-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN CCNCC(=O)N(C)C[C@@H]1CC1(C)C 852923810 583214518 /nfs/dbraw/zinc/21/45/18/583214518.db2.gz FFJPSWJYURESSX-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN C/C=C/C=C\C(=O)NC[C@H](C)N(C)C 855009623 583244728 /nfs/dbraw/zinc/24/47/28/583244728.db2.gz CLMVEBIDLJESIJ-AILJGOMRSA-N 0 3 196.294 1.185 20 0 ADADHN CCC/C=C\C(=O)NC[C@H](C)N(C)C 855009730 583244685 /nfs/dbraw/zinc/24/46/85/583244685.db2.gz PUXFGWHSNFXQHZ-DMEOUFDRSA-N 0 3 198.310 1.409 20 0 ADADHN C/C=C/C=C/C(=O)NC[C@H](C)N(C)C 855009624 583244913 /nfs/dbraw/zinc/24/49/13/583244913.db2.gz CLMVEBIDLJESIJ-DOYBTKHBSA-N 0 3 196.294 1.185 20 0 ADADHN F[C@@H]1CCN(CCN2CCCC2)C1 112942134 583245179 /nfs/dbraw/zinc/24/51/79/583245179.db2.gz LRTKMTRGASSWNA-SNVBAGLBSA-N 0 3 186.274 1.126 20 0 ADADHN CCC/C=C/C(=O)NC[C@H](C)N(C)C 855009731 583245189 /nfs/dbraw/zinc/24/51/89/583245189.db2.gz PUXFGWHSNFXQHZ-JARNTUPDSA-N 0 3 198.310 1.409 20 0 ADADHN CC(C)N(C)CC(=O)N[C@@H]1C=CCC1 855425095 583248097 /nfs/dbraw/zinc/24/80/97/583248097.db2.gz JDYYMAGXNAKGCL-SNVBAGLBSA-N 0 3 196.294 1.161 20 0 ADADHN CC[C@H](C(=O)N[C@H]1C=CCC1)N(C)C 855428422 583248296 /nfs/dbraw/zinc/24/82/96/583248296.db2.gz WWPXVQGBRKFRFN-VHSXEESVSA-N 0 3 196.294 1.161 20 0 ADADHN CC[C@@H](C(=O)N[C@@H]1C=CCC1)N(C)C 855428423 583248315 /nfs/dbraw/zinc/24/83/15/583248315.db2.gz WWPXVQGBRKFRFN-ZJUUUORDSA-N 0 3 196.294 1.161 20 0 ADADHN CCCN(C)CC(=O)N[C@H]1C=CCC1 855424046 583249261 /nfs/dbraw/zinc/24/92/61/583249261.db2.gz OOUHKSGOYAWKNN-JTQLQIEISA-N 0 3 196.294 1.163 20 0 ADADHN CCCN(C)CC(=O)N[C@@H]1C=CCC1 855424048 583249400 /nfs/dbraw/zinc/24/94/00/583249400.db2.gz OOUHKSGOYAWKNN-SNVBAGLBSA-N 0 3 196.294 1.163 20 0 ADADHN CC[C@H](C(=O)N[C@@H]1C=CCC1)N(C)C 855428420 583249743 /nfs/dbraw/zinc/24/97/43/583249743.db2.gz WWPXVQGBRKFRFN-NXEZZACHSA-N 0 3 196.294 1.161 20 0 ADADHN CC(C)N(C)CC(=O)N[C@H]1C=CCC1 855425094 583249964 /nfs/dbraw/zinc/24/99/64/583249964.db2.gz JDYYMAGXNAKGCL-JTQLQIEISA-N 0 3 196.294 1.161 20 0 ADADHN CC[C@@H](C(=O)N[C@H]1C=CCC1)N(C)C 855428421 583250049 /nfs/dbraw/zinc/25/00/49/583250049.db2.gz WWPXVQGBRKFRFN-UWVGGRQHSA-N 0 3 196.294 1.161 20 0 ADADHN CCN(CC)CC(=O)N[C@@H]1C=CCC1 855426537 583250083 /nfs/dbraw/zinc/25/00/83/583250083.db2.gz UIYUIOLDRFRBRL-SNVBAGLBSA-N 0 3 196.294 1.163 20 0 ADADHN CCN(CC)CC(=O)N[C@H]1C=CCC1 855426536 583250199 /nfs/dbraw/zinc/25/01/99/583250199.db2.gz UIYUIOLDRFRBRL-JTQLQIEISA-N 0 3 196.294 1.163 20 0 ADADHN C/C=C\C(=O)N1CCN[C@@H](C(C)C)C1 856483155 583257726 /nfs/dbraw/zinc/25/77/26/583257726.db2.gz FGUCRJRPTGZRFY-UMCURTJPSA-N 0 3 196.294 1.019 20 0 ADADHN C/C=C/C(=O)N1CCN[C@@H](C(C)C)C1 856483154 583258044 /nfs/dbraw/zinc/25/80/44/583258044.db2.gz FGUCRJRPTGZRFY-ORAHPGNNSA-N 0 3 196.294 1.019 20 0 ADADHN C/C=C/C(=O)N1CCN[C@H](C(C)C)C1 856483156 583258227 /nfs/dbraw/zinc/25/82/27/583258227.db2.gz FGUCRJRPTGZRFY-YEZKRMTDSA-N 0 3 196.294 1.019 20 0 ADADHN C/C=C\C(=O)N1CCN[C@H](C(C)C)C1 856483153 583258261 /nfs/dbraw/zinc/25/82/61/583258261.db2.gz FGUCRJRPTGZRFY-LWTINBJPSA-N 0 3 196.294 1.019 20 0 ADADHN CCN(CN1CCC1=O)C1CCCC1 857232014 583261251 /nfs/dbraw/zinc/26/12/51/583261251.db2.gz YFAVGCRSRMXNLS-UHFFFAOYSA-N 0 3 196.294 1.441 20 0 ADADHN C[C@H]1CCCN(CN2CCC2=O)CC1 857232148 583261302 /nfs/dbraw/zinc/26/13/02/583261302.db2.gz NUFVZQWBKSRNKC-JTQLQIEISA-N 0 3 196.294 1.298 20 0 ADADHN CC(C)[C@H](C)N(C)CN1CCC1=O 857231971 583261428 /nfs/dbraw/zinc/26/14/28/583261428.db2.gz WLSHXISJGBEGEW-VIFPVBQESA-N 0 3 184.283 1.153 20 0 ADADHN CC[C@H]1CCCN1CN1CCC1=O 857231916 583261566 /nfs/dbraw/zinc/26/15/66/583261566.db2.gz IVZUYBUURIWULB-VIFPVBQESA-N 0 3 182.267 1.051 20 0 ADADHN CCCN(CCC)CN1CCC1=O 857229158 583261633 /nfs/dbraw/zinc/26/16/33/583261633.db2.gz KXCFMANQPRPCBA-UHFFFAOYSA-N 0 3 184.283 1.298 20 0 ADADHN CCN(CC(C)C)CN1CCC1=O 857231445 583261650 /nfs/dbraw/zinc/26/16/50/583261650.db2.gz IRVYPGGETNRPDC-UHFFFAOYSA-N 0 3 184.283 1.154 20 0 ADADHN CC[C@@H]1CCCN1CN1CCC1=O 857231915 583261691 /nfs/dbraw/zinc/26/16/91/583261691.db2.gz IVZUYBUURIWULB-SECBINFHSA-N 0 3 182.267 1.051 20 0 ADADHN CC(C)[C@@H](C)N(C)CN1CCC1=O 857231970 583261742 /nfs/dbraw/zinc/26/17/42/583261742.db2.gz WLSHXISJGBEGEW-SECBINFHSA-N 0 3 184.283 1.153 20 0 ADADHN CCN(CN1CCC1=O)[C@H](C)C(C)C 857232338 583261781 /nfs/dbraw/zinc/26/17/81/583261781.db2.gz VUOAYYGUZSZUAD-SNVBAGLBSA-N 0 3 198.310 1.543 20 0 ADADHN CCN(CN1CCC1=O)[C@@H](C)C(C)C 857232336 583262053 /nfs/dbraw/zinc/26/20/53/583262053.db2.gz VUOAYYGUZSZUAD-JTQLQIEISA-N 0 3 198.310 1.543 20 0 ADADHN C[C@@H]1CCCN(CN2CCC2=O)CC1 857232149 583262112 /nfs/dbraw/zinc/26/21/12/583262112.db2.gz NUFVZQWBKSRNKC-SNVBAGLBSA-N 0 3 196.294 1.298 20 0 ADADHN CC(C)N(CC1CC1)CN1CCC1=O 857231538 583262248 /nfs/dbraw/zinc/26/22/48/583262248.db2.gz MLLJDWRODCKTMV-UHFFFAOYSA-N 0 3 196.294 1.297 20 0 ADADHN CC[C@@H](C)CN(CC)CN1CCC1=O 857234647 583262702 /nfs/dbraw/zinc/26/27/02/583262702.db2.gz KVICFMCHGYCXPX-SNVBAGLBSA-N 0 3 198.310 1.544 20 0 ADADHN C[C@@H]1CN(CN2CCC2=O)[C@@H](C)[C@H]1C 857237551 583262747 /nfs/dbraw/zinc/26/27/47/583262747.db2.gz WVYHFBRADYAMLU-UTLUCORTSA-N 0 3 196.294 1.153 20 0 ADADHN C[C@H]1CC(C)(C)CN1CN1CCC1=O 857237300 583263013 /nfs/dbraw/zinc/26/30/13/583263013.db2.gz SFJYFBIDRCIENO-VIFPVBQESA-N 0 3 196.294 1.297 20 0 ADADHN CC[C@@H]1[C@H](C)CCN1CN1CCC1=O 857234153 583263028 /nfs/dbraw/zinc/26/30/28/583263028.db2.gz NAAFOTLLJWZRQK-NXEZZACHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CC(C)(C)CN1CN1CCC1=O 857237298 583263072 /nfs/dbraw/zinc/26/30/72/583263072.db2.gz SFJYFBIDRCIENO-SECBINFHSA-N 0 3 196.294 1.297 20 0 ADADHN CC[C@H]1[C@@H](C)CCN1CN1CCC1=O 857234155 583263216 /nfs/dbraw/zinc/26/32/16/583263216.db2.gz NAAFOTLLJWZRQK-UWVGGRQHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CN(CN2CCC2=O)[C@H](C)[C@H]1C 857237548 583263222 /nfs/dbraw/zinc/26/32/22/583263222.db2.gz WVYHFBRADYAMLU-KXUCPTDWSA-N 0 3 196.294 1.153 20 0 ADADHN CC[C@@H]1[C@@H](C)CCN1CN1CCC1=O 857234156 583263284 /nfs/dbraw/zinc/26/32/84/583263284.db2.gz NAAFOTLLJWZRQK-VHSXEESVSA-N 0 3 196.294 1.297 20 0 ADADHN CC[C@H](C)CN(CC)CN1CCC1=O 857234646 583263322 /nfs/dbraw/zinc/26/33/22/583263322.db2.gz KVICFMCHGYCXPX-JTQLQIEISA-N 0 3 198.310 1.544 20 0 ADADHN C[C@@H]1CN(CN2CCC2=O)[C@H](C)[C@@H]1C 857237549 583263470 /nfs/dbraw/zinc/26/34/70/583263470.db2.gz WVYHFBRADYAMLU-OPRDCNLKSA-N 0 3 196.294 1.153 20 0 ADADHN CC[C@H]1[C@H](C)CCN1CN1CCC1=O 857234158 583263795 /nfs/dbraw/zinc/26/37/95/583263795.db2.gz NAAFOTLLJWZRQK-ZJUUUORDSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1CN(CN2CCC2=O)[C@@H](C)[C@@H]1C 857237546 583263803 /nfs/dbraw/zinc/26/38/03/583263803.db2.gz WVYHFBRADYAMLU-BBBLOLIVSA-N 0 3 196.294 1.153 20 0 ADADHN C[C@@H]1CC[C@H]1N1CCc2n[nH]cc2C1 857879139 583266891 /nfs/dbraw/zinc/26/68/91/583266891.db2.gz ZGAMDJPRWTWKFL-LDYMZIIASA-N 0 3 191.278 1.566 20 0 ADADHN C[C@H]1CC[C@@H]1N1CCc2n[nH]cc2C1 857879138 583267016 /nfs/dbraw/zinc/26/70/16/583267016.db2.gz ZGAMDJPRWTWKFL-KWQFWETISA-N 0 3 191.278 1.566 20 0 ADADHN C[C@@H]1CC[C@@H]1N1CCc2n[nH]cc2C1 857879137 583267504 /nfs/dbraw/zinc/26/75/04/583267504.db2.gz ZGAMDJPRWTWKFL-KCJUWKMLSA-N 0 3 191.278 1.566 20 0 ADADHN C[C@H]1CC[C@H]1N1CCc2n[nH]cc2C1 857879136 583267576 /nfs/dbraw/zinc/26/75/76/583267576.db2.gz ZGAMDJPRWTWKFL-GZMMTYOYSA-N 0 3 191.278 1.566 20 0 ADADHN OCc1cc(NCC2CCC2)ccn1 858345535 583269318 /nfs/dbraw/zinc/26/93/18/583269318.db2.gz PLPMSBILTNYOGJ-UHFFFAOYSA-N 0 3 192.262 1.786 20 0 ADADHN C[C@H](Nc1ccnc(CO)c1)C1CC1 858339226 583269328 /nfs/dbraw/zinc/26/93/28/583269328.db2.gz SHQQDBONGQNBSX-QMMMGPOBSA-N 0 3 192.262 1.784 20 0 ADADHN C[C@@H]1C[C@H]1CNc1ccnc(CO)c1 858347815 583269461 /nfs/dbraw/zinc/26/94/61/583269461.db2.gz AJXJTWMRLCXBRG-BDAKNGLRSA-N 0 3 192.262 1.642 20 0 ADADHN CCOCCNc1ccnc(CO)c1 858353866 583269491 /nfs/dbraw/zinc/26/94/91/583269491.db2.gz NDPJRFPAWKEBCP-UHFFFAOYSA-N 0 3 196.250 1.022 20 0 ADADHN C[C@@H]1C[C@@H]1CNc1ccnc(CO)c1 858347818 583269558 /nfs/dbraw/zinc/26/95/58/583269558.db2.gz AJXJTWMRLCXBRG-RKDXNWHRSA-N 0 3 192.262 1.642 20 0 ADADHN COC[C@@H](C)Nc1ccnc(CO)c1 858312524 583269773 /nfs/dbraw/zinc/26/97/73/583269773.db2.gz WUFASRFVCSKSGU-MRVPVSSYSA-N 0 3 196.250 1.021 20 0 ADADHN OCc1cc(NC2CCCC2)ccn1 858310146 583269942 /nfs/dbraw/zinc/26/99/42/583269942.db2.gz FJPRSVFDRFCSBI-UHFFFAOYSA-N 0 3 192.262 1.928 20 0 ADADHN C[C@H]1C[C@H]1CNc1ccnc(CO)c1 858347817 583269976 /nfs/dbraw/zinc/26/99/76/583269976.db2.gz AJXJTWMRLCXBRG-IUCAKERBSA-N 0 3 192.262 1.642 20 0 ADADHN C[C@H]1C[C@@H]1CNc1ccnc(CO)c1 858347816 583269988 /nfs/dbraw/zinc/26/99/88/583269988.db2.gz AJXJTWMRLCXBRG-DTWKUNHWSA-N 0 3 192.262 1.642 20 0 ADADHN COC[C@H](C)Nc1ccnc(CO)c1 858312525 583269993 /nfs/dbraw/zinc/26/99/93/583269993.db2.gz WUFASRFVCSKSGU-QMMMGPOBSA-N 0 3 196.250 1.021 20 0 ADADHN OCc1cc(NCC2CC2)ccn1 858337845 583270037 /nfs/dbraw/zinc/27/00/37/583270037.db2.gz OEJWYNWDVDGJFV-UHFFFAOYSA-N 0 3 178.235 1.396 20 0 ADADHN CC[C@H](C)Nc1ccnc(CO)c1 858308962 583270042 /nfs/dbraw/zinc/27/00/42/583270042.db2.gz WWTGFSZEYLRPAD-QMMMGPOBSA-N 0 3 180.251 1.784 20 0 ADADHN C[C@@H](Nc1ccnc(CO)c1)C1CC1 858339225 583270072 /nfs/dbraw/zinc/27/00/72/583270072.db2.gz SHQQDBONGQNBSX-MRVPVSSYSA-N 0 3 192.262 1.784 20 0 ADADHN CSCCNc1ccnc(CO)c1 858316424 583270134 /nfs/dbraw/zinc/27/01/34/583270134.db2.gz BVBJADPINFMQMK-UHFFFAOYSA-N 0 3 198.291 1.349 20 0 ADADHN CC[C@@H](C)Nc1ccnc(CO)c1 858308961 583270188 /nfs/dbraw/zinc/27/01/88/583270188.db2.gz WWTGFSZEYLRPAD-MRVPVSSYSA-N 0 3 180.251 1.784 20 0 ADADHN CCCCNc1ccnc(CO)c1 858308805 583270289 /nfs/dbraw/zinc/27/02/89/583270289.db2.gz QOYNROGXYGJKJH-UHFFFAOYSA-N 0 3 180.251 1.786 20 0 ADADHN COCCCNc1ccnc(CO)c1 858309552 583270308 /nfs/dbraw/zinc/27/03/08/583270308.db2.gz RLHMWDRAGXFQLA-UHFFFAOYSA-N 0 3 196.250 1.022 20 0 ADADHN CC(=O)O[C@@H](C)CN1CCCC1 200190353 583270881 /nfs/dbraw/zinc/27/08/81/583270881.db2.gz RFLQLUPEHCHJLQ-QMMMGPOBSA-N 0 3 171.240 1.034 20 0 ADADHN CC(C)=CCNc1ccnc(CO)c1 858514760 583270929 /nfs/dbraw/zinc/27/09/29/583270929.db2.gz WHUISVUTLDPMKP-UHFFFAOYSA-N 0 3 192.262 1.952 20 0 ADADHN OCc1cc(NCCC2CC2)ccn1 858426603 583271101 /nfs/dbraw/zinc/27/11/01/583271101.db2.gz XRDQOURBTQCYOI-UHFFFAOYSA-N 0 3 192.262 1.786 20 0 ADADHN OCc1cc(NC2CC=CC2)ccn1 858445907 583271295 /nfs/dbraw/zinc/27/12/95/583271295.db2.gz RAXZGKZNRXOQKY-UHFFFAOYSA-N 0 3 190.246 1.704 20 0 ADADHN CC1(CNc2ccnc(CO)c2)CC1 858434638 583271399 /nfs/dbraw/zinc/27/13/99/583271399.db2.gz LZVBQAITGASWRU-UHFFFAOYSA-N 0 3 192.262 1.786 20 0 ADADHN OCc1cc(N[C@@H]2C=CCC2)ccn1 858624932 583272236 /nfs/dbraw/zinc/27/22/36/583272236.db2.gz NCUHHELMBAFGEY-SECBINFHSA-N 0 3 190.246 1.704 20 0 ADADHN CC/C=C\CNc1ccnc(CO)c1 858559113 583272302 /nfs/dbraw/zinc/27/23/02/583272302.db2.gz FOVAVOIGHBTXSE-ARJAWSKDSA-N 0 3 192.262 1.952 20 0 ADADHN CC/C=C/CNc1ccnc(CO)c1 858559114 583272435 /nfs/dbraw/zinc/27/24/35/583272435.db2.gz FOVAVOIGHBTXSE-ONEGZZNKSA-N 0 3 192.262 1.952 20 0 ADADHN CCN(CC)CCOC(=O)C(C)C 200252140 583272586 /nfs/dbraw/zinc/27/25/86/583272586.db2.gz WNDWTKYOIAXLIZ-UHFFFAOYSA-N 0 3 187.283 1.527 20 0 ADADHN OCc1cc(N[C@H]2C=CCC2)ccn1 858624934 583272721 /nfs/dbraw/zinc/27/27/21/583272721.db2.gz NCUHHELMBAFGEY-VIFPVBQESA-N 0 3 190.246 1.704 20 0 ADADHN CC(C)C(=O)CCN1CCC(O)CC1 200666046 583276724 /nfs/dbraw/zinc/27/67/24/583276724.db2.gz UHUBYGLOYVCFSF-UHFFFAOYSA-N 0 3 199.294 1.058 20 0 ADADHN CCN1CCC(F)(F)CC1 116903860 583280756 /nfs/dbraw/zinc/28/07/56/583280756.db2.gz YAHRBEQEKSRPMM-UHFFFAOYSA-N 0 3 149.184 1.737 20 0 ADADHN CCC(=O)CCN(C)C[C@H]1C[C@@H](O)C1 859972074 583283296 /nfs/dbraw/zinc/28/32/96/583283296.db2.gz ZWAHZOACVKHGRN-JGZJWPJOSA-N 0 3 199.294 1.058 20 0 ADADHN CNC(=O)CN1CCCCCCCC1 201133486 583281755 /nfs/dbraw/zinc/28/17/55/583281755.db2.gz APHPDFLYPBJKKM-UHFFFAOYSA-N 0 3 198.310 1.389 20 0 ADADHN Cc1cc(CN2C[C@H]3C[C@H]3C2)n(C)n1 862443286 583299184 /nfs/dbraw/zinc/29/91/84/583299184.db2.gz NUDYJRCWCAWDGD-AOOOYVTPSA-N 0 3 191.278 1.180 20 0 ADADHN Cc1nccc(CN2C[C@H]3C[C@H]3C2)n1 862442479 583299191 /nfs/dbraw/zinc/29/91/91/583299191.db2.gz CMFZDGWWACNRHA-AOOOYVTPSA-N 0 3 189.262 1.237 20 0 ADADHN Cc1ncc(CN2C[C@H]3C[C@H]3C2)s1 862441094 583299319 /nfs/dbraw/zinc/29/93/19/583299319.db2.gz OJHOMTVYPNZOMA-DTORHVGOSA-N 0 3 194.303 1.903 20 0 ADADHN Cc1ccc(CN2C[C@H]3C[C@H]3C2)cn1 862443307 583299493 /nfs/dbraw/zinc/29/94/93/583299493.db2.gz OBPPRMXDDQSERZ-TXEJJXNPSA-N 0 3 188.274 1.842 20 0 ADADHN Cc1nccnc1CN1C[C@H]2C[C@H]2C1 862444037 583299547 /nfs/dbraw/zinc/29/95/47/583299547.db2.gz WSYHLFFFRVRKKN-AOOOYVTPSA-N 0 3 189.262 1.237 20 0 ADADHN c1cc(-c2cnn3c2CNCC3)co1 863692929 583312258 /nfs/dbraw/zinc/31/22/58/583312258.db2.gz UJGVFYFTEHZRHY-UHFFFAOYSA-N 0 3 189.218 1.246 20 0 ADADHN O=c1ccc(CN[C@@H]2C=CCC2)c[nH]1 865622825 583326961 /nfs/dbraw/zinc/32/69/61/583326961.db2.gz FUKLWESGUXEFET-SNVBAGLBSA-N 0 3 190.246 1.595 20 0 ADADHN O=c1ccc(CN[C@H]2C=CCC2)c[nH]1 865622824 583327285 /nfs/dbraw/zinc/32/72/85/583327285.db2.gz FUKLWESGUXEFET-JTQLQIEISA-N 0 3 190.246 1.595 20 0 ADADHN C[C@@H](CCO)N[C@@H]1C[C@H]1C(F)(F)F 866500978 583331508 /nfs/dbraw/zinc/33/15/08/583331508.db2.gz WTAFLVLTPFGBAZ-RRKCRQDMSA-N 0 3 197.200 1.298 20 0 ADADHN C[C@H](CCO)N[C@@H]1C[C@H]1C(F)(F)F 866500977 583331676 /nfs/dbraw/zinc/33/16/76/583331676.db2.gz WTAFLVLTPFGBAZ-FSDSQADBSA-N 0 3 197.200 1.298 20 0 ADADHN Cc1ccc([C@H](C)NCC(N)=O)s1 19265574 583357046 /nfs/dbraw/zinc/35/70/46/583357046.db2.gz DMZBRYUSCDKPAK-ZETCQYMHSA-N 0 3 198.291 1.192 20 0 ADADHN C[C@@H](NCc1cnccn1)C1CCC1 123993381 583359902 /nfs/dbraw/zinc/35/99/02/583359902.db2.gz FSMUBIAVAPDIIH-SECBINFHSA-N 0 3 191.278 1.755 20 0 ADADHN C[C@H](NCc1cnccn1)C1CCC1 123993161 583360206 /nfs/dbraw/zinc/36/02/06/583360206.db2.gz FSMUBIAVAPDIIH-VIFPVBQESA-N 0 3 191.278 1.755 20 0 ADADHN Cl/C=C/CN1C[C@H]2COC[C@H]2C1 872320657 583362285 /nfs/dbraw/zinc/36/22/85/583362285.db2.gz GSVUHBGWWCEZOE-YLSDFIPESA-N 0 3 187.670 1.317 20 0 ADADHN Cl/C=C\CN1C[C@H]2COC[C@H]2C1 872320656 583362634 /nfs/dbraw/zinc/36/26/34/583362634.db2.gz GSVUHBGWWCEZOE-HBLOBNAQSA-N 0 3 187.670 1.317 20 0 ADADHN C[C@H](N)C(=O)NC1CCCCCCC1 19440458 583362677 /nfs/dbraw/zinc/36/26/77/583362677.db2.gz XYNPWWATWUEWNE-VIFPVBQESA-N 0 3 198.310 1.563 20 0 ADADHN C[C@H](N)c1cn(C2CCCCC2)nn1 124140529 583368964 /nfs/dbraw/zinc/36/89/64/583368964.db2.gz OVLRVFVIKBPROG-QMMMGPOBSA-N 0 3 194.282 1.803 20 0 ADADHN C[C@@H](N)c1cn(C2CCCCC2)nn1 124140745 583369143 /nfs/dbraw/zinc/36/91/43/583369143.db2.gz OVLRVFVIKBPROG-MRVPVSSYSA-N 0 3 194.282 1.803 20 0 ADADHN C[S@](=O)CCNCc1ccccc1 124177112 583370098 /nfs/dbraw/zinc/37/00/98/583370098.db2.gz ZFEBBXPGTVVZJK-CYBMUJFWSA-N 0 3 197.303 1.155 20 0 ADADHN C[S@@](=O)CCNCc1ccccc1 124176909 583370156 /nfs/dbraw/zinc/37/01/56/583370156.db2.gz ZFEBBXPGTVVZJK-ZDUSSCGKSA-N 0 3 197.303 1.155 20 0 ADADHN CC(C)CCn1cc([C@@H](C)N)nn1 124194665 583370943 /nfs/dbraw/zinc/37/09/43/583370943.db2.gz WQZDDJPTHJTKGU-MRVPVSSYSA-N 0 3 182.271 1.344 20 0 ADADHN COCC[C@H](C)N[C@H](C)c1ncc[nH]1 124721475 583378526 /nfs/dbraw/zinc/37/85/26/583378526.db2.gz OAOXNEKPIPHGOV-DTWKUNHWSA-N 0 3 197.282 1.485 20 0 ADADHN C[C@H](NC[C@@H]1CCOC1)c1ncc[nH]1 124693356 583376913 /nfs/dbraw/zinc/37/69/13/583376913.db2.gz YFFVHXWYWWOPKU-IUCAKERBSA-N 0 3 195.266 1.097 20 0 ADADHN CC(C)CN[C@H](C)c1ncc[nH]1 124675052 583377013 /nfs/dbraw/zinc/37/70/13/583377013.db2.gz ZRYHXZMBVVJXFL-MRVPVSSYSA-N 0 3 167.256 1.716 20 0 ADADHN CC[C@@H](C)N[C@H](C)c1ncc[nH]1 124681410 583377030 /nfs/dbraw/zinc/37/70/30/583377030.db2.gz UFMOVMRPVWHUTG-HTQZYQBOSA-N 0 3 167.256 1.859 20 0 ADADHN CC[C@@H](C)N[C@@H](C)c1ncc[nH]1 124680994 583377039 /nfs/dbraw/zinc/37/70/39/583377039.db2.gz UFMOVMRPVWHUTG-SFYZADRCSA-N 0 3 167.256 1.859 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1ncc[nH]1 124673920 583377050 /nfs/dbraw/zinc/37/70/50/583377050.db2.gz HPXPNZRWKQGQLA-SFYZADRCSA-N 0 3 179.267 1.859 20 0 ADADHN CC[C@H](C)N[C@H](C)c1ncc[nH]1 124681598 583377101 /nfs/dbraw/zinc/37/71/01/583377101.db2.gz UFMOVMRPVWHUTG-JGVFFNPUSA-N 0 3 167.256 1.859 20 0 ADADHN CSCCCN[C@H](C)c1ncc[nH]1 124685115 583377145 /nfs/dbraw/zinc/37/71/45/583377145.db2.gz GXTCRPXJHXTXDE-MRVPVSSYSA-N 0 3 199.323 1.813 20 0 ADADHN CSCCCN[C@@H](C)c1ncc[nH]1 124684967 583377218 /nfs/dbraw/zinc/37/72/18/583377218.db2.gz GXTCRPXJHXTXDE-QMMMGPOBSA-N 0 3 199.323 1.813 20 0 ADADHN C[C@@H](NC[C@H]1CCOC1)c1ncc[nH]1 124694068 583377271 /nfs/dbraw/zinc/37/72/71/583377271.db2.gz YFFVHXWYWWOPKU-RKDXNWHRSA-N 0 3 195.266 1.097 20 0 ADADHN C[C@@H](NC[C@@H]1CCOC1)c1ncc[nH]1 124693564 583377280 /nfs/dbraw/zinc/37/72/80/583377280.db2.gz YFFVHXWYWWOPKU-BDAKNGLRSA-N 0 3 195.266 1.097 20 0 ADADHN CC(C)CN[C@@H](C)c1ncc[nH]1 124674793 583377481 /nfs/dbraw/zinc/37/74/81/583377481.db2.gz ZRYHXZMBVVJXFL-QMMMGPOBSA-N 0 3 167.256 1.716 20 0 ADADHN C[C@H](NC[C@H]1CCOC1)c1ncc[nH]1 124693861 583377513 /nfs/dbraw/zinc/37/75/13/583377513.db2.gz YFFVHXWYWWOPKU-DTWKUNHWSA-N 0 3 195.266 1.097 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1ncc[nH]1 124674129 583377542 /nfs/dbraw/zinc/37/75/42/583377542.db2.gz HPXPNZRWKQGQLA-HTQZYQBOSA-N 0 3 179.267 1.859 20 0 ADADHN CC[C@H](C)N[C@@H](C)c1ncc[nH]1 124681221 583377879 /nfs/dbraw/zinc/37/78/79/583377879.db2.gz UFMOVMRPVWHUTG-YUMQZZPRSA-N 0 3 167.256 1.859 20 0 ADADHN CCCCN[C@H](C)c1ncc[nH]1 124737895 583378167 /nfs/dbraw/zinc/37/81/67/583378167.db2.gz MHRDTJWYFORODM-MRVPVSSYSA-N 0 3 167.256 1.860 20 0 ADADHN CCCCN[C@@H](C)c1ncc[nH]1 124737689 583378345 /nfs/dbraw/zinc/37/83/45/583378345.db2.gz MHRDTJWYFORODM-QMMMGPOBSA-N 0 3 167.256 1.860 20 0 ADADHN COCC[C@@H](C)N[C@H](C)c1ncc[nH]1 124721708 583378508 /nfs/dbraw/zinc/37/85/08/583378508.db2.gz OAOXNEKPIPHGOV-RKDXNWHRSA-N 0 3 197.282 1.485 20 0 ADADHN COCC[C@@H](C)N[C@@H](C)c1ncc[nH]1 124721238 583378564 /nfs/dbraw/zinc/37/85/64/583378564.db2.gz OAOXNEKPIPHGOV-BDAKNGLRSA-N 0 3 197.282 1.485 20 0 ADADHN COCC[C@H](C)N[C@@H](C)c1ncc[nH]1 124721073 583378590 /nfs/dbraw/zinc/37/85/90/583378590.db2.gz OAOXNEKPIPHGOV-IUCAKERBSA-N 0 3 197.282 1.485 20 0 ADADHN C[C@H](NC1CCOCC1)c1ncc[nH]1 124782359 583379034 /nfs/dbraw/zinc/37/90/34/583379034.db2.gz DCBXNSPKNOQQCS-QMMMGPOBSA-N 0 3 195.266 1.239 20 0 ADADHN OC[C@H]1CCCCCN1CCF 124813132 583379360 /nfs/dbraw/zinc/37/93/60/583379360.db2.gz OZVWIPIBXRCPLZ-SECBINFHSA-N 0 3 175.247 1.193 20 0 ADADHN OC[C@@H]1CCCCCN1CCF 124813399 583379674 /nfs/dbraw/zinc/37/96/74/583379674.db2.gz OZVWIPIBXRCPLZ-VIFPVBQESA-N 0 3 175.247 1.193 20 0 ADADHN C[C@@H](NCC1CC1)c1ncc[nH]1 124784082 583379814 /nfs/dbraw/zinc/37/98/14/583379814.db2.gz UXVDUXWIBDDMAJ-SSDOTTSWSA-N 0 3 165.240 1.470 20 0 ADADHN C[C@H](NCC1CC1)c1ncc[nH]1 124783804 583379860 /nfs/dbraw/zinc/37/98/60/583379860.db2.gz UXVDUXWIBDDMAJ-ZETCQYMHSA-N 0 3 165.240 1.470 20 0 ADADHN C[C@@H](NC1CCOCC1)c1ncc[nH]1 124782634 583379871 /nfs/dbraw/zinc/37/98/71/583379871.db2.gz DCBXNSPKNOQQCS-MRVPVSSYSA-N 0 3 195.266 1.239 20 0 ADADHN CCC[C@H](C)NC(=O)[C@@H](C)NC1CC1 20365359 583380113 /nfs/dbraw/zinc/38/01/13/583380113.db2.gz IUBXUUCMSGXHMK-DTWKUNHWSA-N 0 3 198.310 1.432 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@@H](C)NC1CC1 20365358 583380251 /nfs/dbraw/zinc/38/02/51/583380251.db2.gz IUBXUUCMSGXHMK-RKDXNWHRSA-N 0 3 198.310 1.432 20 0 ADADHN CCC(C)(C)NC(=O)[C@H](C)NC1CC1 20365365 583380281 /nfs/dbraw/zinc/38/02/81/583380281.db2.gz HKKMDAGEDAZFEW-QMMMGPOBSA-N 0 3 198.310 1.432 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@H](C)NC1CC1 20365361 583380287 /nfs/dbraw/zinc/38/02/87/583380287.db2.gz IUBXUUCMSGXHMK-BDAKNGLRSA-N 0 3 198.310 1.432 20 0 ADADHN CCC[C@H](C)NC(=O)[C@H](C)NC1CC1 20365363 583380296 /nfs/dbraw/zinc/38/02/96/583380296.db2.gz IUBXUUCMSGXHMK-IUCAKERBSA-N 0 3 198.310 1.432 20 0 ADADHN CCC(CC)NC(=O)[C@@H](C)NC1CC1 20365354 583380302 /nfs/dbraw/zinc/38/03/02/583380302.db2.gz VPGPIGDDZZCWIU-MRVPVSSYSA-N 0 3 198.310 1.432 20 0 ADADHN CCCCNC(=O)[C@@H](C)NC1CC1 20365343 583380421 /nfs/dbraw/zinc/38/04/21/583380421.db2.gz BIRQKGGQXXEREE-MRVPVSSYSA-N 0 3 184.283 1.043 20 0 ADADHN CC[C@@H](C)NC(=O)[C@H](C)NC1CC1 20365336 583380568 /nfs/dbraw/zinc/38/05/68/583380568.db2.gz OUPHYQRPLSEEAY-SFYZADRCSA-N 0 3 184.283 1.042 20 0 ADADHN CCN(C(=O)CN1CCCC1)C(C)C 874110711 583380631 /nfs/dbraw/zinc/38/06/31/583380631.db2.gz WSZKBVPJRFNNPA-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCCCNC(=O)[C@H](C)NC1CC1 20365341 583380668 /nfs/dbraw/zinc/38/06/68/583380668.db2.gz DVDAPIZVENYSTA-VIFPVBQESA-N 0 3 198.310 1.433 20 0 ADADHN CC[C@@H](C)NC(=O)[C@@H](C)NC1CC1 20365332 583380734 /nfs/dbraw/zinc/38/07/34/583380734.db2.gz OUPHYQRPLSEEAY-HTQZYQBOSA-N 0 3 184.283 1.042 20 0 ADADHN CCCCNC(=O)[C@H](C)NC1CC1 20365345 583380811 /nfs/dbraw/zinc/38/08/11/583380811.db2.gz BIRQKGGQXXEREE-QMMMGPOBSA-N 0 3 184.283 1.043 20 0 ADADHN CCC(CC)NC(=O)[C@H](C)NC1CC1 20365356 583380914 /nfs/dbraw/zinc/38/09/14/583380914.db2.gz VPGPIGDDZZCWIU-QMMMGPOBSA-N 0 3 198.310 1.432 20 0 ADADHN CCCCCNC(=O)[C@@H](C)NC1CC1 20365340 583380996 /nfs/dbraw/zinc/38/09/96/583380996.db2.gz DVDAPIZVENYSTA-SECBINFHSA-N 0 3 198.310 1.433 20 0 ADADHN CC(C)CCNC(=O)[C@@H](C)NC1CC1 20365350 583381049 /nfs/dbraw/zinc/38/10/49/583381049.db2.gz ZWSXTAQGWBUISI-SECBINFHSA-N 0 3 198.310 1.289 20 0 ADADHN CC(C)CCNC(=O)[C@H](C)NC1CC1 20365352 583381075 /nfs/dbraw/zinc/38/10/75/583381075.db2.gz ZWSXTAQGWBUISI-VIFPVBQESA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@H](C)NC(=O)[C@H](C)NC1CC1 20365338 583381104 /nfs/dbraw/zinc/38/11/04/583381104.db2.gz OUPHYQRPLSEEAY-YUMQZZPRSA-N 0 3 184.283 1.042 20 0 ADADHN CSCC[C@H](C)NCc1ncc[nH]1 125018293 583381392 /nfs/dbraw/zinc/38/13/92/583381392.db2.gz JWMXXSDOULEZFO-QMMMGPOBSA-N 0 3 199.323 1.641 20 0 ADADHN CSCC[C@H](C)NCc1cc[nH]n1 125030915 583381465 /nfs/dbraw/zinc/38/14/65/583381465.db2.gz NVNHLBQIYBRAEQ-QMMMGPOBSA-N 0 3 199.323 1.641 20 0 ADADHN CSCC[C@@H](C)NCc1cc[nH]n1 125031143 583381481 /nfs/dbraw/zinc/38/14/81/583381481.db2.gz NVNHLBQIYBRAEQ-MRVPVSSYSA-N 0 3 199.323 1.641 20 0 ADADHN CSCC[C@@H](C)NCc1ncc[nH]1 125018477 583381892 /nfs/dbraw/zinc/38/18/92/583381892.db2.gz JWMXXSDOULEZFO-MRVPVSSYSA-N 0 3 199.323 1.641 20 0 ADADHN CC(C)Cc1noc([C@H]2CCCN2)n1 20545653 583382224 /nfs/dbraw/zinc/38/22/24/583382224.db2.gz OAQWIERZORFVBR-MRVPVSSYSA-N 0 3 195.266 1.693 20 0 ADADHN C[C@@H](C1CC1)N(C)CCF 21399723 583385884 /nfs/dbraw/zinc/38/58/84/583385884.db2.gz UPDALMJCOJFNEL-ZETCQYMHSA-N 0 3 145.221 1.686 20 0 ADADHN C[C@H](C1CC1)N(C)CCF 21399727 583386189 /nfs/dbraw/zinc/38/61/89/583386189.db2.gz UPDALMJCOJFNEL-SSDOTTSWSA-N 0 3 145.221 1.686 20 0 ADADHN CO[C@H](CN)c1csc(C)n1 126229616 583389689 /nfs/dbraw/zinc/38/96/89/583389689.db2.gz XJMMACQZIGXGNW-SSDOTTSWSA-N 0 3 172.253 1.098 20 0 ADADHN CC(C)CNCc1ccc(Cl)nn1 876886581 583389697 /nfs/dbraw/zinc/38/96/97/583389697.db2.gz ZHLMRZBSLOXWOA-UHFFFAOYSA-N 0 3 199.685 1.876 20 0 ADADHN Cc1cccc(C)c1COC1CNC1 126214743 583389924 /nfs/dbraw/zinc/38/99/24/583389924.db2.gz FERGRRLOLLUPMH-UHFFFAOYSA-N 0 3 191.274 1.792 20 0 ADADHN CCCNCc1ccc(Cl)nn1 876892400 583390016 /nfs/dbraw/zinc/39/00/16/583390016.db2.gz CEVDARKFDAXZDY-UHFFFAOYSA-N 0 3 185.658 1.630 20 0 ADADHN CO[C@@H](CN)c1csc(C)n1 126229872 583390063 /nfs/dbraw/zinc/39/00/63/583390063.db2.gz XJMMACQZIGXGNW-ZETCQYMHSA-N 0 3 172.253 1.098 20 0 ADADHN CCNCc1cc(C2CC2)no1 876878070 583390112 /nfs/dbraw/zinc/39/01/12/583390112.db2.gz PQWOVDNRADRFDW-UHFFFAOYSA-N 0 3 166.224 1.662 20 0 ADADHN OC[C@H](NCc1ccns1)C1CC1 877044954 583390563 /nfs/dbraw/zinc/39/05/63/583390563.db2.gz MGGUNVVKLOWMGZ-VIFPVBQESA-N 0 3 198.291 1.004 20 0 ADADHN OC[C@@H](NCc1ccns1)C1CC1 877044953 583390775 /nfs/dbraw/zinc/39/07/75/583390775.db2.gz MGGUNVVKLOWMGZ-SECBINFHSA-N 0 3 198.291 1.004 20 0 ADADHN CCNCC(=O)Nc1ccsc1C 877196851 583392692 /nfs/dbraw/zinc/39/26/92/583392692.db2.gz LFLLIFHONGKCAZ-UHFFFAOYSA-N 0 3 198.291 1.605 20 0 ADADHN CC[C@](C)(CN1CC2(CC2)C1)OC 877556708 583395221 /nfs/dbraw/zinc/39/52/21/583395221.db2.gz XPHJEHQFKLHWJY-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN CO[C@H](CN1CC2(CC2)C1)C1CC1 877556091 583395742 /nfs/dbraw/zinc/39/57/42/583395742.db2.gz LLYBMOPKDAZJRD-SNVBAGLBSA-N 0 3 181.279 1.507 20 0 ADADHN CC[C@@](C)(CN1CC2(CC2)C1)OC 877556707 583395774 /nfs/dbraw/zinc/39/57/74/583395774.db2.gz XPHJEHQFKLHWJY-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN CO[C@@H](CN1CC2(CC2)C1)C1CC1 877556090 583395893 /nfs/dbraw/zinc/39/58/93/583395893.db2.gz LLYBMOPKDAZJRD-JTQLQIEISA-N 0 3 181.279 1.507 20 0 ADADHN CC(C)OC[C@H](C)NC1CSC1 877634762 583396108 /nfs/dbraw/zinc/39/61/08/583396108.db2.gz SEIAILCDSSDRIT-QMMMGPOBSA-N 0 3 189.324 1.505 20 0 ADADHN CC(C)OC[C@@H](C)NC1CSC1 877634758 583396590 /nfs/dbraw/zinc/39/65/90/583396590.db2.gz SEIAILCDSSDRIT-MRVPVSSYSA-N 0 3 189.324 1.505 20 0 ADADHN CC1(NC[C@@H]2CCC=CO2)COC1 877691259 583397079 /nfs/dbraw/zinc/39/70/79/583397079.db2.gz LYIIHZUCEHLPTF-VIFPVBQESA-N 0 3 183.251 1.058 20 0 ADADHN CC1(NC[C@H]2CCC=CO2)COC1 877691257 583397699 /nfs/dbraw/zinc/39/76/99/583397699.db2.gz LYIIHZUCEHLPTF-SECBINFHSA-N 0 3 183.251 1.058 20 0 ADADHN C[C@@H]1CN(CCCC2CC2)CCO1 877896001 583399195 /nfs/dbraw/zinc/39/91/95/583399195.db2.gz NUHMFZQSSXIZHD-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1CN(CCCC2CC2)CCO1 877896000 583399204 /nfs/dbraw/zinc/39/92/04/583399204.db2.gz NUHMFZQSSXIZHD-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN C=C/C=C\CCN(CC(N)=O)C(C)C 877923795 583399757 /nfs/dbraw/zinc/39/97/57/583399757.db2.gz WRZJOQSCIZUAPR-WAYWQWQTSA-N 0 3 196.294 1.314 20 0 ADADHN C=C/C=C\CCN1CCN(CC)CC1 877933488 583399942 /nfs/dbraw/zinc/39/99/42/583399942.db2.gz LCWXCUMPFMXHRS-WAYWQWQTSA-N 0 3 194.322 1.756 20 0 ADADHN C=C/C=C/CCN(CC(N)=O)C(C)C 877923794 583400051 /nfs/dbraw/zinc/40/00/51/583400051.db2.gz WRZJOQSCIZUAPR-AATRIKPKSA-N 0 3 196.294 1.314 20 0 ADADHN CCN1CCN(CCCC2CC2)CC1 877933150 583400058 /nfs/dbraw/zinc/40/00/58/583400058.db2.gz GKHUZMYLHXRHCY-UHFFFAOYSA-N 0 3 196.338 1.814 20 0 ADADHN C=C/C=C/CCN1CCN(CC)CC1 877933487 583400269 /nfs/dbraw/zinc/40/02/69/583400269.db2.gz LCWXCUMPFMXHRS-AATRIKPKSA-N 0 3 194.322 1.756 20 0 ADADHN C=C/C=C\CCN1CCOC[C@@H]1C 877953450 583400606 /nfs/dbraw/zinc/40/06/06/583400606.db2.gz NLTOBYSGFDCUEG-WYGGZMRJSA-N 0 3 181.279 1.839 20 0 ADADHN C=C/C=C\CCN1CCOC[C@H]1C 877953448 583400894 /nfs/dbraw/zinc/40/08/94/583400894.db2.gz NLTOBYSGFDCUEG-DOGVGXBMSA-N 0 3 181.279 1.839 20 0 ADADHN C=C/C=C/CCN1CCOC[C@H]1C 877953449 583400899 /nfs/dbraw/zinc/40/08/99/583400899.db2.gz NLTOBYSGFDCUEG-SGUJLRQBSA-N 0 3 181.279 1.839 20 0 ADADHN C[C@@H]1COCCN1CCCC1CC1 877954443 583401026 /nfs/dbraw/zinc/40/10/26/583401026.db2.gz YSJVFXSPRBZUDW-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN C=C/C=C/CCN1CCOC[C@@H]1C 877953451 583401129 /nfs/dbraw/zinc/40/11/29/583401129.db2.gz NLTOBYSGFDCUEG-ZWNMCFTASA-N 0 3 181.279 1.839 20 0 ADADHN C[C@H]1COCCN1CCCC1CC1 877954442 583401310 /nfs/dbraw/zinc/40/13/10/583401310.db2.gz YSJVFXSPRBZUDW-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN C=C/C=C\CCN(CC)CC(=O)NC 877986472 583401664 /nfs/dbraw/zinc/40/16/64/583401664.db2.gz MHTBWMQHIVNBLS-SREVYHEPSA-N 0 3 196.294 1.187 20 0 ADADHN CCN(CCCC1CC1)CC(=O)NC 877985953 583401763 /nfs/dbraw/zinc/40/17/63/583401763.db2.gz DCHXYIPOVTUSEZ-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C=C/C=C/CCN(CC)CC(=O)NC 877986474 583401811 /nfs/dbraw/zinc/40/18/11/583401811.db2.gz MHTBWMQHIVNBLS-VOTSOKGWSA-N 0 3 196.294 1.187 20 0 ADADHN CCNC(=O)CN(C)CCCC1CC1 877973890 583401904 /nfs/dbraw/zinc/40/19/04/583401904.db2.gz FQQVEXCGVRQCJG-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C=C/C=C/CCN(C)Cc1cn[nH]c1 878263226 583407660 /nfs/dbraw/zinc/40/76/60/583407660.db2.gz BVFXNZBIGUDMIB-SNAWJCMRSA-N 0 3 191.278 1.974 20 0 ADADHN C=C/C=C\CCN(C)Cc1cn[nH]c1 878263225 583407766 /nfs/dbraw/zinc/40/77/66/583407766.db2.gz BVFXNZBIGUDMIB-PLNGDYQASA-N 0 3 191.278 1.974 20 0 ADADHN CCO[C@H](CN)c1cscn1 126980875 583407887 /nfs/dbraw/zinc/40/78/87/583407887.db2.gz AFCZMDVYKKHIPY-SSDOTTSWSA-N 0 3 172.253 1.179 20 0 ADADHN CCO[C@@H](CN)c1cscn1 126980627 583407964 /nfs/dbraw/zinc/40/79/64/583407964.db2.gz AFCZMDVYKKHIPY-ZETCQYMHSA-N 0 3 172.253 1.179 20 0 ADADHN C=C/C=C\CCN1CCN(C)[C@@H](C)C1 878316572 583408512 /nfs/dbraw/zinc/40/85/12/583408512.db2.gz IYIWWKBOQADRBG-FJOGCWAESA-N 0 3 194.322 1.755 20 0 ADADHN C[C@H]1CN(CCCC2CC2)CCN1C 878316656 583408539 /nfs/dbraw/zinc/40/85/39/583408539.db2.gz KTNINLUDTQKNCD-NSHDSACASA-N 0 3 196.338 1.813 20 0 ADADHN CC(=O)CNC1(CCO)CCCCC1 878267722 583408840 /nfs/dbraw/zinc/40/88/40/583408840.db2.gz FZZQFGWJEGJKNA-UHFFFAOYSA-N 0 3 199.294 1.250 20 0 ADADHN C=C/C=C\CCN1CCN(C)[C@H](C)C1 878316573 583408849 /nfs/dbraw/zinc/40/88/49/583408849.db2.gz IYIWWKBOQADRBG-FOQNGQEVSA-N 0 3 194.322 1.755 20 0 ADADHN C[C@@H]1CN(CCCC2CC2)CCN1C 878316655 583408953 /nfs/dbraw/zinc/40/89/53/583408953.db2.gz KTNINLUDTQKNCD-LLVKDONJSA-N 0 3 196.338 1.813 20 0 ADADHN C=C/C=C/CCN1CCN(C)[C@H](C)C1 878316571 583408998 /nfs/dbraw/zinc/40/89/98/583408998.db2.gz IYIWWKBOQADRBG-BTDICHCPSA-N 0 3 194.322 1.755 20 0 ADADHN C=C/C=C/CCN1CCN(C)[C@@H](C)C1 878316574 583409043 /nfs/dbraw/zinc/40/90/43/583409043.db2.gz IYIWWKBOQADRBG-FYJFLYSWSA-N 0 3 194.322 1.755 20 0 ADADHN CC(=O)CN1CCCC12CCC2 878518285 583411780 /nfs/dbraw/zinc/41/17/80/583411780.db2.gz JUIURGFKMGVEOO-UHFFFAOYSA-N 0 3 167.252 1.594 20 0 ADADHN C=C/C=C/CCN(CCC)CC(N)=O 878646788 583412869 /nfs/dbraw/zinc/41/28/69/583412869.db2.gz IPPNAGQYZNGXEY-AATRIKPKSA-N 0 3 196.294 1.316 20 0 ADADHN CCCN(CCCC1CC1)CC(N)=O 878648314 583412907 /nfs/dbraw/zinc/41/29/07/583412907.db2.gz VMCIEUZVDBPYKO-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN C=C/C=C\CCN(CCC)CC(N)=O 878646789 583412937 /nfs/dbraw/zinc/41/29/37/583412937.db2.gz IPPNAGQYZNGXEY-WAYWQWQTSA-N 0 3 196.294 1.316 20 0 ADADHN CON1CCN(CCCC2CC2)CC1 878687214 583413384 /nfs/dbraw/zinc/41/33/84/583413384.db2.gz MSTFERHLJWAZBL-UHFFFAOYSA-N 0 3 198.310 1.356 20 0 ADADHN NC(=O)[C@H]1CCCN1CCCC1CC1 878680382 583413408 /nfs/dbraw/zinc/41/34/08/583413408.db2.gz MQLLAIKEEQGFQH-SNVBAGLBSA-N 0 3 196.294 1.126 20 0 ADADHN CC(=O)CN[C@@H]1CCC1(C)C 878673226 583413452 /nfs/dbraw/zinc/41/34/52/583413452.db2.gz OEVMEBWDZADDAY-MRVPVSSYSA-N 0 3 155.241 1.354 20 0 ADADHN CC(=O)CN[C@H]1CCC1(C)C 878673231 583413479 /nfs/dbraw/zinc/41/34/79/583413479.db2.gz OEVMEBWDZADDAY-QMMMGPOBSA-N 0 3 155.241 1.354 20 0 ADADHN C=C/C=C\CCN1CCC[C@@H]1C(N)=O 878680714 583413725 /nfs/dbraw/zinc/41/37/25/583413725.db2.gz SKCOXDFDMLBLET-UMBAGQNISA-N 0 3 194.278 1.068 20 0 ADADHN C=C/C=C/CCN1CCC[C@@H]1C(N)=O 878680713 583413783 /nfs/dbraw/zinc/41/37/83/583413783.db2.gz SKCOXDFDMLBLET-HMDXOVGESA-N 0 3 194.278 1.068 20 0 ADADHN C=C/C=C\CCN(C)Cc1cnc[nH]1 878884318 583415079 /nfs/dbraw/zinc/41/50/79/583415079.db2.gz CKOHEFHIBVJJEI-PLNGDYQASA-N 0 3 191.278 1.974 20 0 ADADHN C=C/C=C/CCN(C)Cc1cnc[nH]1 878884319 583415972 /nfs/dbraw/zinc/41/59/72/583415972.db2.gz CKOHEFHIBVJJEI-SNAWJCMRSA-N 0 3 191.278 1.974 20 0 ADADHN C=C/C=C/CCN1CCC[C@H]1C(N)=O 879038438 583416955 /nfs/dbraw/zinc/41/69/55/583416955.db2.gz SKCOXDFDMLBLET-FSIBCCDJSA-N 0 3 194.278 1.068 20 0 ADADHN C=C/C=C\CCN1CCC[C@H]1C(N)=O 879038440 583416988 /nfs/dbraw/zinc/41/69/88/583416988.db2.gz SKCOXDFDMLBLET-XOULXFPDSA-N 0 3 194.278 1.068 20 0 ADADHN NC(=O)[C@@H]1CCCN1CCCC1CC1 879038099 583417593 /nfs/dbraw/zinc/41/75/93/583417593.db2.gz MQLLAIKEEQGFQH-JTQLQIEISA-N 0 3 196.294 1.126 20 0 ADADHN CC(=O)CN1C[C@H]2CC=CC[C@H]2C1 879530843 583419742 /nfs/dbraw/zinc/41/97/42/583419742.db2.gz KOOHSLDMFXDJDW-PHIMTYICSA-N 0 3 179.263 1.473 20 0 ADADHN CSC(C)(C)CNCc1cc[nH]n1 128192262 583425356 /nfs/dbraw/zinc/42/53/56/583425356.db2.gz LPWPDIXZLADKCP-UHFFFAOYSA-N 0 3 199.323 1.641 20 0 ADADHN Cc1cc(CN2CC[C@H](O)C2)c(C)o1 128165595 583425466 /nfs/dbraw/zinc/42/54/66/583425466.db2.gz URMWWSUWRLUWNW-NSHDSACASA-N 0 3 195.262 1.463 20 0 ADADHN FCCN1CCC[C@@H](CF)C1 880235189 583426752 /nfs/dbraw/zinc/42/67/52/583426752.db2.gz LFURRMJDLJHQGD-QMMMGPOBSA-N 0 3 163.211 1.637 20 0 ADADHN FCCN1CCC[C@H](CF)C1 880235188 583426844 /nfs/dbraw/zinc/42/68/44/583426844.db2.gz LFURRMJDLJHQGD-MRVPVSSYSA-N 0 3 163.211 1.637 20 0 ADADHN CCCN(CCF)C1CC1 23803759 583426935 /nfs/dbraw/zinc/42/69/35/583426935.db2.gz ROCKGVXADDCBOG-UHFFFAOYSA-N 0 3 145.221 1.830 20 0 ADADHN O=C(CCN1CCC(F)CC1)C1CC1 880240314 583427884 /nfs/dbraw/zinc/42/78/84/583427884.db2.gz UTWFXCYTIUBKNJ-UHFFFAOYSA-N 0 3 199.269 1.790 20 0 ADADHN CCOCCN1CCC(F)CC1 880239733 583427891 /nfs/dbraw/zinc/42/78/91/583427891.db2.gz ONPPCMCDFJMZJC-UHFFFAOYSA-N 0 3 175.247 1.457 20 0 ADADHN FC1CCN(CCn2ccnc2)CC1 880239653 583428111 /nfs/dbraw/zinc/42/81/11/583428111.db2.gz BFTYNLXROFCOAT-UHFFFAOYSA-N 0 3 197.257 1.317 20 0 ADADHN FC1CCN(C[C@@H]2CCCO2)CC1 880243746 583428147 /nfs/dbraw/zinc/42/81/47/583428147.db2.gz SWIXALMYVHUICH-JTQLQIEISA-N 0 3 187.258 1.599 20 0 ADADHN Cn1nccc1CN1CC[C@H](CF)C1 880299884 583428173 /nfs/dbraw/zinc/42/81/73/583428173.db2.gz YZNLJEYCRKHYQP-SECBINFHSA-N 0 3 197.257 1.212 20 0 ADADHN Cn1nccc1CN1CC[C@@H](CF)C1 880299885 583428339 /nfs/dbraw/zinc/42/83/39/583428339.db2.gz YZNLJEYCRKHYQP-VIFPVBQESA-N 0 3 197.257 1.212 20 0 ADADHN CC(C)OCCN1CCC(F)CC1 880240354 583428384 /nfs/dbraw/zinc/42/83/84/583428384.db2.gz WOQWTGNNWTVHDT-UHFFFAOYSA-N 0 3 189.274 1.845 20 0 ADADHN COCCN1CCC(F)CC1 880239845 583428395 /nfs/dbraw/zinc/42/83/95/583428395.db2.gz GLSXQTQVLJSGPL-UHFFFAOYSA-N 0 3 161.220 1.067 20 0 ADADHN CCC(=O)CCN1CCC(F)CC1 880240370 583428452 /nfs/dbraw/zinc/42/84/52/583428452.db2.gz XDHMNUCBMBBWKM-UHFFFAOYSA-N 0 3 187.258 1.790 20 0 ADADHN FC1CCN(CCn2cccn2)CC1 880239754 583428467 /nfs/dbraw/zinc/42/84/67/583428467.db2.gz PFBQIIBVVYRDKR-UHFFFAOYSA-N 0 3 197.257 1.317 20 0 ADADHN CSCCN1CCC(F)CC1 880239850 583428535 /nfs/dbraw/zinc/42/85/35/583428535.db2.gz GVUHJGKVLYQLNE-UHFFFAOYSA-N 0 3 177.288 1.783 20 0 ADADHN FC[C@H]1CCN(Cc2cccnc2)C1 880292954 583428587 /nfs/dbraw/zinc/42/85/87/583428587.db2.gz BGOMJFJAFMCRAC-SNVBAGLBSA-N 0 3 194.253 1.873 20 0 ADADHN FC1CCN(C[C@H]2CCCO2)CC1 880243747 583428603 /nfs/dbraw/zinc/42/86/03/583428603.db2.gz SWIXALMYVHUICH-SNVBAGLBSA-N 0 3 187.258 1.599 20 0 ADADHN O=C(CCN1CC[C@@H](CF)C1)C1CC1 880296346 583428898 /nfs/dbraw/zinc/42/88/98/583428898.db2.gz AEELQGHVFPXNIC-VIFPVBQESA-N 0 3 199.269 1.647 20 0 ADADHN FCCN1CC[C@H](CF)C1 880297694 583429277 /nfs/dbraw/zinc/42/92/77/583429277.db2.gz RVOPVINWQAAVGB-SSDOTTSWSA-N 0 3 149.184 1.247 20 0 ADADHN FCCN1CC[C@@H](CF)C1 880297695 583429285 /nfs/dbraw/zinc/42/92/85/583429285.db2.gz RVOPVINWQAAVGB-ZETCQYMHSA-N 0 3 149.184 1.247 20 0 ADADHN FC[C@H]1CCN(Cc2ccccn2)C1 880294029 583429499 /nfs/dbraw/zinc/42/94/99/583429499.db2.gz QNAUHJJQZSLNMN-SNVBAGLBSA-N 0 3 194.253 1.873 20 0 ADADHN FC[C@@H]1CCN(Cc2ccncc2)C1 880292897 583429506 /nfs/dbraw/zinc/42/95/06/583429506.db2.gz AFKPPSWOTXPEAP-NSHDSACASA-N 0 3 194.253 1.873 20 0 ADADHN Cc1oncc1CN1CC[C@H](CF)C1 880298851 583429561 /nfs/dbraw/zinc/42/95/61/583429561.db2.gz KUZWXBJWBRGOKZ-SECBINFHSA-N 0 3 198.241 1.774 20 0 ADADHN Cn1cc(CN2CC[C@@H](CF)C2)cn1 880294064 583429679 /nfs/dbraw/zinc/42/96/79/583429679.db2.gz RDZMVTOJTHNBDW-VIFPVBQESA-N 0 3 197.257 1.212 20 0 ADADHN O=C(CCN1CC[C@H](CF)C1)C1CC1 880296345 583429758 /nfs/dbraw/zinc/42/97/58/583429758.db2.gz AEELQGHVFPXNIC-SECBINFHSA-N 0 3 199.269 1.647 20 0 ADADHN FC[C@@H]1CCN(Cc2cccnc2)C1 880292953 583429820 /nfs/dbraw/zinc/42/98/20/583429820.db2.gz BGOMJFJAFMCRAC-JTQLQIEISA-N 0 3 194.253 1.873 20 0 ADADHN Cn1cncc1CN1CC[C@H](CF)C1 880293454 583429830 /nfs/dbraw/zinc/42/98/30/583429830.db2.gz LBECAEULKFLARU-SECBINFHSA-N 0 3 197.257 1.212 20 0 ADADHN Cn1cncc1CN1CC[C@@H](CF)C1 880293455 583429838 /nfs/dbraw/zinc/42/98/38/583429838.db2.gz LBECAEULKFLARU-VIFPVBQESA-N 0 3 197.257 1.212 20 0 ADADHN FC[C@@H]1CCN(Cc2ccccn2)C1 880294028 583429860 /nfs/dbraw/zinc/42/98/60/583429860.db2.gz QNAUHJJQZSLNMN-JTQLQIEISA-N 0 3 194.253 1.873 20 0 ADADHN FC[C@H]1CCN(Cc2ccncc2)C1 880292895 583429870 /nfs/dbraw/zinc/42/98/70/583429870.db2.gz AFKPPSWOTXPEAP-LLVKDONJSA-N 0 3 194.253 1.873 20 0 ADADHN Cn1cc(CN2CC[C@H](CF)C2)cn1 880294063 583429890 /nfs/dbraw/zinc/42/98/90/583429890.db2.gz RDZMVTOJTHNBDW-SECBINFHSA-N 0 3 197.257 1.212 20 0 ADADHN Cc1oncc1CN1CC[C@@H](CF)C1 880298852 583429983 /nfs/dbraw/zinc/42/99/83/583429983.db2.gz KUZWXBJWBRGOKZ-VIFPVBQESA-N 0 3 198.241 1.774 20 0 ADADHN FCCN1C2CCC1CC2 23915504 583430747 /nfs/dbraw/zinc/43/07/47/583430747.db2.gz WZOLMSAQVVESJC-UHFFFAOYSA-N 0 3 143.205 1.583 20 0 ADADHN CCN(C/C=C/Cl)CCCO 128487475 583436647 /nfs/dbraw/zinc/43/66/47/583436647.db2.gz FUIJXZVQQUKKPV-HWKANZROSA-N 0 3 177.675 1.443 20 0 ADADHN CCCCN1CCc2ncncc2C1 880593728 583437483 /nfs/dbraw/zinc/43/74/83/583437483.db2.gz CKCHOGPJQGLAPW-UHFFFAOYSA-N 0 3 191.278 1.635 20 0 ADADHN C/C=C\C(=O)NC[C@@H]1CCCN(C)C1 211105152 583437507 /nfs/dbraw/zinc/43/75/07/583437507.db2.gz HDFRYAXHXNZSJC-ATPLWMGHSA-N 0 3 196.294 1.021 20 0 ADADHN C/C=C\C(=O)NC[C@H]1CCCN(C)C1 211105205 583438039 /nfs/dbraw/zinc/43/80/39/583438039.db2.gz HDFRYAXHXNZSJC-TZGMSPROSA-N 0 3 196.294 1.021 20 0 ADADHN C/C=C\C(=O)N(C)[C@@H]1CCCN(C)C1 211355587 583440467 /nfs/dbraw/zinc/44/04/67/583440467.db2.gz IMNITNUCVMWTQG-AYYIZTPMSA-N 0 3 196.294 1.115 20 0 ADADHN C/C=C\C(=O)N(C)[C@H]1CCCN(C)C1 211355678 583441053 /nfs/dbraw/zinc/44/10/53/583441053.db2.gz IMNITNUCVMWTQG-OAQKJQOQSA-N 0 3 196.294 1.115 20 0 ADADHN C/C=C\C(=O)N(C)C[C@@H]1CCCN1C 211370073 583441107 /nfs/dbraw/zinc/44/11/07/583441107.db2.gz QJIDPKRFBZOOCI-OAQKJQOQSA-N 0 3 196.294 1.115 20 0 ADADHN CC(C)=CCn1cc([C@@H](C)N)nn1 881036755 583441139 /nfs/dbraw/zinc/44/11/39/583441139.db2.gz RNEKCPKAHLOTQH-MRVPVSSYSA-N 0 3 180.255 1.264 20 0 ADADHN C[C@@H](N)c1cn([C@@H]2C=CCCC2)nn1 881211604 583441170 /nfs/dbraw/zinc/44/11/70/583441170.db2.gz DCZSAHROIDCZRB-RKDXNWHRSA-N 0 3 192.266 1.579 20 0 ADADHN CC(C)=CCn1cc([C@H](C)N)nn1 881036779 583441190 /nfs/dbraw/zinc/44/11/90/583441190.db2.gz RNEKCPKAHLOTQH-QMMMGPOBSA-N 0 3 180.255 1.264 20 0 ADADHN C/C=C\C(=O)N(C)C[C@H]1CCCN1C 211370149 583441355 /nfs/dbraw/zinc/44/13/55/583441355.db2.gz QJIDPKRFBZOOCI-AYYIZTPMSA-N 0 3 196.294 1.115 20 0 ADADHN CC/C=C/CCn1cc([C@H](C)N)nn1 881305938 583441559 /nfs/dbraw/zinc/44/15/59/583441559.db2.gz CWIQICSFAWHFGR-MOVJSRMASA-N 0 3 194.282 1.654 20 0 ADADHN CN(C/C=C\Cl)CC(C)(C)O 211516375 583441666 /nfs/dbraw/zinc/44/16/66/583441666.db2.gz ZHZXPAFCEIHOPW-PLNGDYQASA-N 0 3 177.675 1.442 20 0 ADADHN C/C=C\C(=O)N(C)CCN1CCCC1 211463311 583441692 /nfs/dbraw/zinc/44/16/92/583441692.db2.gz IKJNMSXGIMEOJS-UTCJRWHESA-N 0 3 196.294 1.117 20 0 ADADHN CC/C=C\CCn1cc([C@@H](C)N)nn1 881305941 583441719 /nfs/dbraw/zinc/44/17/19/583441719.db2.gz CWIQICSFAWHFGR-XRVBUDJMSA-N 0 3 194.282 1.654 20 0 ADADHN C[C@H](N)c1cn([C@H]2C=CCCC2)nn1 881211603 583441961 /nfs/dbraw/zinc/44/19/61/583441961.db2.gz DCZSAHROIDCZRB-IUCAKERBSA-N 0 3 192.266 1.579 20 0 ADADHN OC[C@@H]1CCCN1C/C=C\Cl 211466550 583442087 /nfs/dbraw/zinc/44/20/87/583442087.db2.gz QRTQEYLEKVUCOT-LTMVXPGCSA-N 0 3 175.659 1.196 20 0 ADADHN CC/C=C\CCn1cc([C@H](C)N)nn1 881305939 583442145 /nfs/dbraw/zinc/44/21/45/583442145.db2.gz CWIQICSFAWHFGR-WBSSQXGSSA-N 0 3 194.282 1.654 20 0 ADADHN C[C@H](N)c1cn([C@@H]2C=CCCC2)nn1 881211602 583442186 /nfs/dbraw/zinc/44/21/86/583442186.db2.gz DCZSAHROIDCZRB-DTWKUNHWSA-N 0 3 192.266 1.579 20 0 ADADHN C[C@@H](N)c1cn([C@H]2C=CCCC2)nn1 881211601 583442191 /nfs/dbraw/zinc/44/21/91/583442191.db2.gz DCZSAHROIDCZRB-BDAKNGLRSA-N 0 3 192.266 1.579 20 0 ADADHN C[C@@H](N)c1cn(CC2=CCCC2)nn1 881308561 583442207 /nfs/dbraw/zinc/44/22/07/583442207.db2.gz FKLVNVXCEQALSY-MRVPVSSYSA-N 0 3 192.266 1.408 20 0 ADADHN C[C@H](N)c1cn(CC2=CCCC2)nn1 881308562 583442211 /nfs/dbraw/zinc/44/22/11/583442211.db2.gz FKLVNVXCEQALSY-QMMMGPOBSA-N 0 3 192.266 1.408 20 0 ADADHN CC/C=C/CCn1cc([C@@H](C)N)nn1 881305940 583442252 /nfs/dbraw/zinc/44/22/52/583442252.db2.gz CWIQICSFAWHFGR-XNPJLODASA-N 0 3 194.282 1.654 20 0 ADADHN CCCc1nn(C)c2c1CCNC2 211533226 583442594 /nfs/dbraw/zinc/44/25/94/583442594.db2.gz NHZMWCGKMBXVMO-UHFFFAOYSA-N 0 3 179.267 1.018 20 0 ADADHN CCc1nn(CC)c2c1CCNC2 211533129 583442669 /nfs/dbraw/zinc/44/26/69/583442669.db2.gz IONMAGXNLPLPTA-UHFFFAOYSA-N 0 3 179.267 1.111 20 0 ADADHN C[C@@H](N)c1cn(C/C=C/Cl)nn1 881428423 583442720 /nfs/dbraw/zinc/44/27/20/583442720.db2.gz VUNKOADABIPFAG-YRFDSLTASA-N 0 3 186.646 1.050 20 0 ADADHN CCCc1nn(CC)c2c1CCNC2 211536320 583442870 /nfs/dbraw/zinc/44/28/70/583442870.db2.gz JOYJGWIHJHPMJQ-UHFFFAOYSA-N 0 3 193.294 1.501 20 0 ADADHN C[C@H](N)c1cn(C/C=C/Cl)nn1 881428421 583443219 /nfs/dbraw/zinc/44/32/19/583443219.db2.gz VUNKOADABIPFAG-SZKDQXIBSA-N 0 3 186.646 1.050 20 0 ADADHN C[C@H](N)c1cn(C/C=C\Cl)nn1 881428419 583443233 /nfs/dbraw/zinc/44/32/33/583443233.db2.gz VUNKOADABIPFAG-GFNSNHMOSA-N 0 3 186.646 1.050 20 0 ADADHN C[C@@H](N)c1cn(C/C=C\Cl)nn1 881428422 583443236 /nfs/dbraw/zinc/44/32/36/583443236.db2.gz VUNKOADABIPFAG-VROIDLATSA-N 0 3 186.646 1.050 20 0 ADADHN C1CC(c2n[nH]c3c2CNCC3)C1 211531398 583443283 /nfs/dbraw/zinc/44/32/83/583443283.db2.gz XPSQWINWGLLZTR-UHFFFAOYSA-N 0 3 177.251 1.323 20 0 ADADHN C1CC(c2[nH]nc3c2CNCC3)C1 211531398 583443285 /nfs/dbraw/zinc/44/32/85/583443285.db2.gz XPSQWINWGLLZTR-UHFFFAOYSA-N 0 3 177.251 1.323 20 0 ADADHN CCn1nc(C(C)C)c2c1CNCC2 211536426 583443430 /nfs/dbraw/zinc/44/34/30/583443430.db2.gz ZEIYXSFERLNRCK-UHFFFAOYSA-N 0 3 193.294 1.672 20 0 ADADHN CC(C)[C@H](C(=O)N1CC[C@@H]1C)N(C)C 881479874 583443763 /nfs/dbraw/zinc/44/37/63/583443763.db2.gz IGUZEYAVNQVINE-VHSXEESVSA-N 0 3 198.310 1.193 20 0 ADADHN CC(C)[C@H](C(=O)N1CC[C@H]1C)N(C)C 881479873 583443768 /nfs/dbraw/zinc/44/37/68/583443768.db2.gz IGUZEYAVNQVINE-NXEZZACHSA-N 0 3 198.310 1.193 20 0 ADADHN Cc1ccc(N)c2c1CCNC2 212138156 583450186 /nfs/dbraw/zinc/45/01/86/583450186.db2.gz JEQRZXPFYTVMIL-UHFFFAOYSA-N 0 3 162.236 1.223 20 0 ADADHN F[C@H]1CCN(CCN2CCCC2)C1 212251362 583452832 /nfs/dbraw/zinc/45/28/32/583452832.db2.gz LRTKMTRGASSWNA-JTQLQIEISA-N 0 3 186.274 1.126 20 0 ADADHN CCCCCCNCc1cnnn1C 129681859 583453897 /nfs/dbraw/zinc/45/38/97/583453897.db2.gz DEQCORZCBMETFM-UHFFFAOYSA-N 0 3 196.298 1.485 20 0 ADADHN C[C@@H](CC1CC1)NCc1cnnn1C 129760883 583454924 /nfs/dbraw/zinc/45/49/24/583454924.db2.gz FIGOYAZSQLJRJI-QMMMGPOBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H](CC1CC1)NCc1cnnn1C 129761082 583454945 /nfs/dbraw/zinc/45/49/45/583454945.db2.gz FIGOYAZSQLJRJI-MRVPVSSYSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H](NCc1cnnn1C)C(C)(C)C 129759449 583455298 /nfs/dbraw/zinc/45/52/98/583455298.db2.gz DQOSZFQMYBCTAQ-QMMMGPOBSA-N 0 3 196.298 1.339 20 0 ADADHN CON(C)CCNCc1occc1C 883172481 583463698 /nfs/dbraw/zinc/46/36/98/583463698.db2.gz IHEJBQWMYYIGDV-UHFFFAOYSA-N 0 3 198.266 1.171 20 0 ADADHN CON(C)CCNCc1ccc(C)o1 883172979 583463817 /nfs/dbraw/zinc/46/38/17/583463817.db2.gz YZNJDCPLFWVKHP-UHFFFAOYSA-N 0 3 198.266 1.171 20 0 ADADHN OC[C@@H]1CCCN(C/C=C\Cl)C1 214526906 583464275 /nfs/dbraw/zinc/46/42/75/583464275.db2.gz MDNGMKYRMGGLIS-FIFYQCSRSA-N 0 3 189.686 1.443 20 0 ADADHN C=CC=CCCNCc1n[nH]cc1C 883260440 583464699 /nfs/dbraw/zinc/46/46/99/583464699.db2.gz UODRPZCEOKCLRV-PLNGDYQASA-N 0 3 191.278 1.940 20 0 ADADHN C=CC=CCCNCc1n[nH]cc1C 883260441 583465005 /nfs/dbraw/zinc/46/50/05/583465005.db2.gz UODRPZCEOKCLRV-SNAWJCMRSA-N 0 3 191.278 1.940 20 0 ADADHN Cc1cc(CNC2CC=CC2)n(C)n1 132929641 583469990 /nfs/dbraw/zinc/46/99/90/583469990.db2.gz HIRQOGUSPUSXOH-UHFFFAOYSA-N 0 3 191.278 1.537 20 0 ADADHN C1CN(CC2CC2)CC2(C1)OCCO2 133701964 583472180 /nfs/dbraw/zinc/47/21/80/583472180.db2.gz VWZKULYOCFFCTQ-UHFFFAOYSA-N 0 3 197.278 1.235 20 0 ADADHN Cc1ccc(CN[C@@H](C)CCO)cn1 133933913 583473653 /nfs/dbraw/zinc/47/36/53/583473653.db2.gz MNLYFIBDCUSFPY-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN CC(C)(CN)c1nc(CC2CC2)no1 133751584 583473903 /nfs/dbraw/zinc/47/39/03/583473903.db2.gz XHFOAOOPZYAAJW-UHFFFAOYSA-N 0 3 195.266 1.258 20 0 ADADHN CCN1CCC(=CC(=O)OC)CC1 133893892 583474221 /nfs/dbraw/zinc/47/42/21/583474221.db2.gz KQRQWKBYVDYIKJ-UHFFFAOYSA-N 0 3 183.251 1.202 20 0 ADADHN Cc1ccc(CN[C@H](C)CCO)cn1 133934120 583474254 /nfs/dbraw/zinc/47/42/54/583474254.db2.gz MNLYFIBDCUSFPY-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN CC(C)N1CCCC2(C1)OCCO2 134045147 583474601 /nfs/dbraw/zinc/47/46/01/583474601.db2.gz MRWDONHLZDFQRQ-UHFFFAOYSA-N 0 3 185.267 1.234 20 0 ADADHN Cc1ccc(CNCC[C@H](C)O)cn1 134006271 583475106 /nfs/dbraw/zinc/47/51/06/583475106.db2.gz SEZYCSLFVGZZJH-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN CCCN1CCCC2(C1)OCCO2 134088223 583475329 /nfs/dbraw/zinc/47/53/29/583475329.db2.gz OMLCJDCDSJYCIJ-UHFFFAOYSA-N 0 3 185.267 1.235 20 0 ADADHN CCNCC(=O)N1[C@@H](CC)CC[C@H]1C 136118171 583487712 /nfs/dbraw/zinc/48/77/12/583487712.db2.gz OZEPILLOIGQTHS-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CCNCC(=O)N1[C@@H](C)CC[C@@H]1CC 136118102 583487909 /nfs/dbraw/zinc/48/79/09/583487909.db2.gz OZEPILLOIGQTHS-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCNCC(=O)N1[C@@H](C)CC[C@H]1CC 136118058 583488176 /nfs/dbraw/zinc/48/81/76/583488176.db2.gz OZEPILLOIGQTHS-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCCN(C)C[C@](C)(O)C(F)F 885971371 583488973 /nfs/dbraw/zinc/48/89/73/583488973.db2.gz YLQPGZXZRGSBCS-QMMMGPOBSA-N 0 3 181.226 1.344 20 0 ADADHN CCCN(C)C[C@@](C)(O)C(F)F 885971370 583489381 /nfs/dbraw/zinc/48/93/81/583489381.db2.gz YLQPGZXZRGSBCS-MRVPVSSYSA-N 0 3 181.226 1.344 20 0 ADADHN C[C@@](O)(CN1CC=CCC1)C(F)F 886119050 583491397 /nfs/dbraw/zinc/49/13/97/583491397.db2.gz WYAMJFCFEGLXSJ-SECBINFHSA-N 0 3 191.221 1.264 20 0 ADADHN C[C@](O)(CN1CC=CCC1)C(F)F 886119051 583491503 /nfs/dbraw/zinc/49/15/03/583491503.db2.gz WYAMJFCFEGLXSJ-VIFPVBQESA-N 0 3 191.221 1.264 20 0 ADADHN Cl/C=C/CN1C[C@H]2C[C@H]2C1 886327840 583495701 /nfs/dbraw/zinc/49/57/01/583495701.db2.gz UIFMQENYIGYPJY-SRLPBZNGSA-N 0 3 157.644 1.691 20 0 ADADHN Cl/C=C\CN1C[C@H]2C[C@H]2C1 886327841 583495733 /nfs/dbraw/zinc/49/57/33/583495733.db2.gz UIFMQENYIGYPJY-VMPVEFHESA-N 0 3 157.644 1.691 20 0 ADADHN FC(F)(F)CCN1C[C@H]2C[C@H]2C1 886333744 583495812 /nfs/dbraw/zinc/49/58/12/583495812.db2.gz MRPRCNGPAABZCT-KNVOCYPGSA-N 0 3 179.185 1.891 20 0 ADADHN Cc1cccc(CN2C[C@H]3C[C@H]3C2)n1 886334319 583496302 /nfs/dbraw/zinc/49/63/02/583496302.db2.gz VJPWBPPQICPXJX-PHIMTYICSA-N 0 3 188.274 1.842 20 0 ADADHN CC(C)OC(=O)CCN1C[C@H]2C[C@H]2C1 886336144 583496567 /nfs/dbraw/zinc/49/65/67/583496567.db2.gz NEUCLCAHJVYSMQ-AOOOYVTPSA-N 0 3 197.278 1.280 20 0 ADADHN C[C@@H](c1cnccn1)N1C[C@H]2C[C@H]2C1 886346719 583496883 /nfs/dbraw/zinc/49/68/83/583496883.db2.gz PKYXSUPRXCEYKT-LPEHRKFASA-N 0 3 189.262 1.489 20 0 ADADHN Cc1oncc1CN1C[C@H]2C[C@H]2C1 886346671 583497024 /nfs/dbraw/zinc/49/70/24/583497024.db2.gz NRWFFHKHLIDBSL-DTORHVGOSA-N 0 3 178.235 1.435 20 0 ADADHN C[C@H](c1cnccn1)N1C[C@H]2C[C@H]2C1 886346718 583497250 /nfs/dbraw/zinc/49/72/50/583497250.db2.gz PKYXSUPRXCEYKT-BBBLOLIVSA-N 0 3 189.262 1.489 20 0 ADADHN c1nc(CCN2C[C@H]3C[C@H]3C2)cs1 886348446 583497882 /nfs/dbraw/zinc/49/78/82/583497882.db2.gz MIQWQLFJCFLYBN-DTORHVGOSA-N 0 3 194.303 1.637 20 0 ADADHN Cc1c(Cl)cccc1CNCCO 219668948 583499035 /nfs/dbraw/zinc/49/90/35/583499035.db2.gz FMZHGJFYEHQPRB-UHFFFAOYSA-N 0 3 199.681 1.730 20 0 ADADHN CC/C=C\CCN(C)[C@@H]1COC[C@H]1O 886515546 583499350 /nfs/dbraw/zinc/49/93/50/583499350.db2.gz MVMGICLAVOQBPL-WQMVXFAESA-N 0 3 199.294 1.034 20 0 ADADHN COCC(C)(C)NC/C=C/Cl 219603597 583499374 /nfs/dbraw/zinc/49/93/74/583499374.db2.gz UZNXLAFLSIMKBN-SNAWJCMRSA-N 0 3 177.675 1.754 20 0 ADADHN CCC(=O)CCN(C)[C@@H]1CCC[C@H]1O 886481025 583499398 /nfs/dbraw/zinc/49/93/98/583499398.db2.gz CJJRFZPMACCJPY-GHMZBOCLSA-N 0 3 199.294 1.201 20 0 ADADHN CCCCN(C/C=C\Cl)CCO 219662640 583499723 /nfs/dbraw/zinc/49/97/23/583499723.db2.gz CDWCYOAZSIKLPK-PLNGDYQASA-N 0 3 191.702 1.833 20 0 ADADHN CC/C=C/CCN(C)[C@@H]1COC[C@H]1O 886515547 583499750 /nfs/dbraw/zinc/49/97/50/583499750.db2.gz MVMGICLAVOQBPL-XKFHPXPTSA-N 0 3 199.294 1.034 20 0 ADADHN OCCN(C/C=C/Cl)C1CCC1 221140265 583503739 /nfs/dbraw/zinc/50/37/39/583503739.db2.gz YNBSEOWMRZSNEH-GORDUTHDSA-N 0 3 189.686 1.586 20 0 ADADHN CN(CCCF)CCOC1CCC1 887142357 583505529 /nfs/dbraw/zinc/50/55/29/583505529.db2.gz GWBUVEPHEZVQSY-UHFFFAOYSA-N 0 3 189.274 1.847 20 0 ADADHN CC(C)COCCN(C)CCCF 887142295 583505659 /nfs/dbraw/zinc/50/56/59/583505659.db2.gz DONVRQQMLSTSAV-UHFFFAOYSA-N 0 3 191.290 1.950 20 0 ADADHN CSC[C@H](O)CN(C)CCCF 887141065 583505704 /nfs/dbraw/zinc/50/57/04/583505704.db2.gz DWKVSOQGEDVOIN-MRVPVSSYSA-N 0 3 195.303 1.002 20 0 ADADHN CN(CCCF)CCc1cn[nH]c1 887142311 583506015 /nfs/dbraw/zinc/50/60/15/583506015.db2.gz FFHYDQJOFQFFBY-UHFFFAOYSA-N 0 3 185.246 1.244 20 0 ADADHN CN(CCCF)CCC(=O)C1CC1 887141544 583506086 /nfs/dbraw/zinc/50/60/86/583506086.db2.gz YSBWDDOLGAKRKM-UHFFFAOYSA-N 0 3 187.258 1.647 20 0 ADADHN CC(C)C(=O)CCN(C)CCCF 887142361 583506101 /nfs/dbraw/zinc/50/61/01/583506101.db2.gz HAZQXUVUYQPWST-UHFFFAOYSA-N 0 3 189.274 1.893 20 0 ADADHN CSC[C@@H](O)CN(C)CCCF 887141066 583506111 /nfs/dbraw/zinc/50/61/11/583506111.db2.gz DWKVSOQGEDVOIN-QMMMGPOBSA-N 0 3 195.303 1.002 20 0 ADADHN C[C@H]1CC[C@H](CN(C)CCCF)O1 887141358 583506167 /nfs/dbraw/zinc/50/61/67/583506167.db2.gz PQVQERHQHRPRMW-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN CN(CCCF)Cc1ccncc1 887138640 583506174 /nfs/dbraw/zinc/50/61/74/583506174.db2.gz FMKQPYPRBZQKAL-UHFFFAOYSA-N 0 3 182.242 1.873 20 0 ADADHN C[C@H]1CC[C@@H](CN(C)CCCF)O1 887141357 583506212 /nfs/dbraw/zinc/50/62/12/583506212.db2.gz PQVQERHQHRPRMW-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN CN(CCCF)CCc1ccnn1C 887141215 583506222 /nfs/dbraw/zinc/50/62/22/583506222.db2.gz KAKRXPXLRKMGCK-UHFFFAOYSA-N 0 3 199.273 1.254 20 0 ADADHN CN(CCCF)CCc1cccnc1 887141402 583506321 /nfs/dbraw/zinc/50/63/21/583506321.db2.gz RMMXKDISKAFZLT-UHFFFAOYSA-N 0 3 196.269 1.916 20 0 ADADHN C[C@@H]1CC[C@H](CN(C)CCCF)O1 887141356 583506420 /nfs/dbraw/zinc/50/64/20/583506420.db2.gz PQVQERHQHRPRMW-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN CN(CCCF)C[C@](C)(O)C(F)F 887143514 583506454 /nfs/dbraw/zinc/50/64/54/583506454.db2.gz CXFRTQGVIIFGIA-QMMMGPOBSA-N 0 3 199.216 1.294 20 0 ADADHN CN(CCCF)CCOCC(F)F 887141501 583506485 /nfs/dbraw/zinc/50/64/85/583506485.db2.gz WXMROJCLOHPGAU-UHFFFAOYSA-N 0 3 199.216 1.560 20 0 ADADHN C[C@@H]1CC[C@@H](CN(C)CCCF)O1 887141359 583506507 /nfs/dbraw/zinc/50/65/07/583506507.db2.gz PQVQERHQHRPRMW-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN CN(CCCF)CCc1cnn(C)c1 887139040 583506528 /nfs/dbraw/zinc/50/65/28/583506528.db2.gz XRNFYHXSLOTDOA-UHFFFAOYSA-N 0 3 199.273 1.254 20 0 ADADHN CN(CCCF)C[C@@](C)(O)C(F)F 887143513 583506540 /nfs/dbraw/zinc/50/65/40/583506540.db2.gz CXFRTQGVIIFGIA-MRVPVSSYSA-N 0 3 199.216 1.294 20 0 ADADHN CCC(=O)CCN(C)CCCF 887141193 583506606 /nfs/dbraw/zinc/50/66/06/583506606.db2.gz JKQFYIYPSCREOH-UHFFFAOYSA-N 0 3 175.247 1.647 20 0 ADADHN CN(CCCF)CCn1ccnc1 887141554 583506688 /nfs/dbraw/zinc/50/66/88/583506688.db2.gz ZOVYGPWSPLOBSF-UHFFFAOYSA-N 0 3 185.246 1.175 20 0 ADADHN CCC(=O)NCCN1CCC(C)(C)C1 890081367 583512843 /nfs/dbraw/zinc/51/28/43/583512843.db2.gz FSGCVKKHEXXJKA-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN1CCC(C(=O)OC(C)C)CC1 107955849 583513258 /nfs/dbraw/zinc/51/32/58/583513258.db2.gz GODUQMQDYFCHPA-UHFFFAOYSA-N 0 3 199.294 1.670 20 0 ADADHN CC(C)C[C@H](N)C(=O)N(C)C(C)C 19518467 490013427 /nfs/dbraw/zinc/01/34/27/490013427.db2.gz IUIBSMQQOPGOJU-VIFPVBQESA-N 0 3 186.299 1.227 20 0 ADADHN CC(C)NCC(=O)NC1(C)CCCC1 42188059 490014644 /nfs/dbraw/zinc/01/46/44/490014644.db2.gz XEUYEFMZSRKENW-UHFFFAOYSA-N 0 3 198.310 1.433 20 0 ADADHN CC(C)CNCc1cscn1 40420200 490014697 /nfs/dbraw/zinc/01/46/97/490014697.db2.gz CFUYSPMWPRZVJG-UHFFFAOYSA-N 0 3 170.281 1.889 20 0 ADADHN CC(C)CCN(C)C(=O)C(C)(C)N 42372745 490014753 /nfs/dbraw/zinc/01/47/53/490014753.db2.gz GQTCGUUIKXFYSD-UHFFFAOYSA-N 0 3 186.299 1.228 20 0 ADADHN CCCCN(CC(C)=O)C1CC1 42490808 490015161 /nfs/dbraw/zinc/01/51/61/490015161.db2.gz MBAZXNWEWGNYAI-UHFFFAOYSA-N 0 3 169.268 1.840 20 0 ADADHN CCc1ccc(CNCCCO)o1 51721879 490015877 /nfs/dbraw/zinc/01/58/77/490015877.db2.gz MPWPZPIQOFIBNC-UHFFFAOYSA-N 0 3 183.251 1.314 20 0 ADADHN CCc1ccc(CNCCCOC)o1 51721771 490015880 /nfs/dbraw/zinc/01/58/80/490015880.db2.gz JNSHMLRKPKLGAN-UHFFFAOYSA-N 0 3 197.278 1.968 20 0 ADADHN CCc1ccc(CN[C@H](C)CO)o1 51722258 490015892 /nfs/dbraw/zinc/01/58/92/490015892.db2.gz WLUXTMZMSFBQSS-MRVPVSSYSA-N 0 3 183.251 1.312 20 0 ADADHN CCc1ccc(CN[C@@H](C)COC)o1 51721239 490015911 /nfs/dbraw/zinc/01/59/11/490015911.db2.gz ZARFBJXWAUGJEW-VIFPVBQESA-N 0 3 197.278 1.967 20 0 ADADHN CCc1ccc(CN[C@@H](CC)CO)o1 51721903 490015924 /nfs/dbraw/zinc/01/59/24/490015924.db2.gz XOPNPVOERNQVED-VIFPVBQESA-N 0 3 197.278 1.703 20 0 ADADHN CCc1ccc(CN[C@H](CC)CO)o1 51721906 490015952 /nfs/dbraw/zinc/01/59/52/490015952.db2.gz XOPNPVOERNQVED-SECBINFHSA-N 0 3 197.278 1.703 20 0 ADADHN CCc1ccc(CNC[C@H](C)O)o1 51722252 490015992 /nfs/dbraw/zinc/01/59/92/490015992.db2.gz VMDOMWPHLDOLBO-QMMMGPOBSA-N 0 3 183.251 1.312 20 0 ADADHN CCc1ccc(CN[C@H](C)COC)o1 51721242 490016003 /nfs/dbraw/zinc/01/60/03/490016003.db2.gz ZARFBJXWAUGJEW-SECBINFHSA-N 0 3 197.278 1.967 20 0 ADADHN CCc1ccc(CNC(C)(C)CO)o1 51721909 490016014 /nfs/dbraw/zinc/01/60/14/490016014.db2.gz AXDCVRZQXKGUCR-UHFFFAOYSA-N 0 3 197.278 1.703 20 0 ADADHN CCc1ccc(CN[C@@H](C)CO)o1 51722255 490016022 /nfs/dbraw/zinc/01/60/22/490016022.db2.gz WLUXTMZMSFBQSS-QMMMGPOBSA-N 0 3 183.251 1.312 20 0 ADADHN CCc1ccc(CNC[C@@H](C)O)o1 51722251 490016041 /nfs/dbraw/zinc/01/60/41/490016041.db2.gz VMDOMWPHLDOLBO-MRVPVSSYSA-N 0 3 183.251 1.312 20 0 ADADHN O[C@@H](CNCc1cncs1)C1CC1 70882769 490017416 /nfs/dbraw/zinc/01/74/16/490017416.db2.gz LIFUIEXDPQXXQQ-VIFPVBQESA-N 0 3 198.291 1.004 20 0 ADADHN O[C@H](CNCc1cncs1)C1CC1 70882775 490017427 /nfs/dbraw/zinc/01/74/27/490017427.db2.gz LIFUIEXDPQXXQQ-SECBINFHSA-N 0 3 198.291 1.004 20 0 ADADHN CCOC[C@H](C)NCCC(F)(F)F 70912847 490018076 /nfs/dbraw/zinc/01/80/76/490018076.db2.gz QBRXPCFGGRNPND-ZETCQYMHSA-N 0 3 199.216 1.953 20 0 ADADHN COC[C@H](C)NCc1ncccc1C 70908365 490018132 /nfs/dbraw/zinc/01/81/32/490018132.db2.gz ZPXLSPQCSHNJRK-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN CC[C@@](C)(CO)NCc1ccncc1 70898349 490018287 /nfs/dbraw/zinc/01/82/87/490018287.db2.gz SNZNPNLBIQIMJP-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@](C)(CO)NCc1ccncc1 70898352 490018330 /nfs/dbraw/zinc/01/83/30/490018330.db2.gz SNZNPNLBIQIMJP-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN COC[C@@H](C)NCc1ncccc1C 70908370 490018336 /nfs/dbraw/zinc/01/83/36/490018336.db2.gz ZPXLSPQCSHNJRK-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN CCOC[C@@H](C)NCCC(F)(F)F 70912843 490018371 /nfs/dbraw/zinc/01/83/71/490018371.db2.gz QBRXPCFGGRNPND-SSDOTTSWSA-N 0 3 199.216 1.953 20 0 ADADHN CN(C)CCSc1ncccn1 72263015 490020423 /nfs/dbraw/zinc/02/04/23/490020423.db2.gz ZQKKNAQCHCJXDH-UHFFFAOYSA-N 0 3 183.280 1.130 20 0 ADADHN OC/C=C/CNCc1ccccc1 75567874 490022572 /nfs/dbraw/zinc/02/25/72/490022572.db2.gz WACKDSXYGOYGIG-SNAWJCMRSA-N 0 3 177.247 1.325 20 0 ADADHN c1ncc(CN[C@@H]2CCOC2)s1 76628870 490023240 /nfs/dbraw/zinc/02/32/40/490023240.db2.gz QAAYXWIJRJAKJO-SSDOTTSWSA-N 0 3 184.264 1.022 20 0 ADADHN c1ccc(CNC2CSC2)cc1 76603621 490023410 /nfs/dbraw/zinc/02/34/10/490023410.db2.gz FVGVICLAJDUELH-UHFFFAOYSA-N 0 3 179.288 1.892 20 0 ADADHN c1ncc(CN[C@H]2CCOC2)s1 76628875 490023605 /nfs/dbraw/zinc/02/36/05/490023605.db2.gz QAAYXWIJRJAKJO-ZETCQYMHSA-N 0 3 184.264 1.022 20 0 ADADHN CC(C)CN(C(=O)CN)C1CCCC1 76582512 490023676 /nfs/dbraw/zinc/02/36/76/490023676.db2.gz GTZPUYNYIDVADO-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CCCCCN(CCC)CC(N)=O 78011636 490024325 /nfs/dbraw/zinc/02/43/25/490024325.db2.gz HEVNSSURVJBTEJ-UHFFFAOYSA-N 0 3 186.299 1.374 20 0 ADADHN CC[C@@H](NC)C(=O)Nc1ccccc1 78130583 490024418 /nfs/dbraw/zinc/02/44/18/490024418.db2.gz FMPNNMWQSMVSHZ-SNVBAGLBSA-N 0 3 192.262 1.623 20 0 ADADHN CC[C@H](NC)C(=O)Nc1ccccc1 78130582 490024445 /nfs/dbraw/zinc/02/44/45/490024445.db2.gz FMPNNMWQSMVSHZ-JTQLQIEISA-N 0 3 192.262 1.623 20 0 ADADHN Cc1ccsc1CN[C@@H]1CCOC1 87308534 490025655 /nfs/dbraw/zinc/02/56/55/490025655.db2.gz PVSRPSSDBWOQLS-SECBINFHSA-N 0 3 197.303 1.935 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1ccoc1 87289422 490025662 /nfs/dbraw/zinc/02/56/62/490025662.db2.gz YLLUQMWTKJSDLT-IUCAKERBSA-N 0 3 183.251 1.965 20 0 ADADHN COC[C@H](C)N[C@H](C)c1ccoc1 87289424 490025695 /nfs/dbraw/zinc/02/56/95/490025695.db2.gz YLLUQMWTKJSDLT-DTWKUNHWSA-N 0 3 183.251 1.965 20 0 ADADHN C[C@H](N[C@H](C)CCO)c1ccccn1 123992821 490029132 /nfs/dbraw/zinc/02/91/32/490029132.db2.gz VUPCSVHLNZMGQT-ZJUUUORDSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](CCO)N[C@@H](C)c1ccccn1 123992613 490029168 /nfs/dbraw/zinc/02/91/68/490029168.db2.gz VUPCSVHLNZMGQT-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](CCO)N[C@H](C)c1ccncc1 124042453 490029241 /nfs/dbraw/zinc/02/92/41/490029241.db2.gz LGWCKQWJBMJLAM-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](N[C@H](C)CCO)c1ccncc1 124041990 490029270 /nfs/dbraw/zinc/02/92/70/490029270.db2.gz LGWCKQWJBMJLAM-ZJUUUORDSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](CCO)N[C@H](C)c1ccccn1 123993316 490029322 /nfs/dbraw/zinc/02/93/22/490029322.db2.gz VUPCSVHLNZMGQT-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](CCO)N[C@@H](C)c1ccncc1 124041770 490029364 /nfs/dbraw/zinc/02/93/64/490029364.db2.gz LGWCKQWJBMJLAM-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](CCO)N[C@H](C)c1ccccn1 123993049 490029552 /nfs/dbraw/zinc/02/95/52/490029552.db2.gz VUPCSVHLNZMGQT-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](CCO)N[C@H](C)c1ccncc1 124042207 490029671 /nfs/dbraw/zinc/02/96/71/490029671.db2.gz LGWCKQWJBMJLAM-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](CO)N[C@H](C)c1ccc(F)cn1 124438122 490029967 /nfs/dbraw/zinc/02/99/67/490029967.db2.gz MSDPDBUCHKAKDS-HTQZYQBOSA-N 0 3 198.241 1.252 20 0 ADADHN CCCNCc1c(Cl)cnn1C 124122339 490029980 /nfs/dbraw/zinc/02/99/80/490029980.db2.gz WKNMGHAZBQTBPS-UHFFFAOYSA-N 0 3 187.674 1.573 20 0 ADADHN C[C@@H](CCO)N[C@H](C)c1cccnc1 124457833 490030047 /nfs/dbraw/zinc/03/00/47/490030047.db2.gz WZMOQVDPEPHENS-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@H](C)C1CCC1 124154422 490030055 /nfs/dbraw/zinc/03/00/55/490030055.db2.gz ZUVJSTVRUKFFTR-SCZZXKLOSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H](N[C@H](C)CO)c1ccc(F)cn1 124437674 490030122 /nfs/dbraw/zinc/03/01/22/490030122.db2.gz MSDPDBUCHKAKDS-SFYZADRCSA-N 0 3 198.241 1.252 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C1CCC1 124153967 490030131 /nfs/dbraw/zinc/03/01/31/490030131.db2.gz ZUVJSTVRUKFFTR-WPRPVWTQSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@@H](NC(=O)C(C)(C)N)C1CCC1 124162557 490030174 /nfs/dbraw/zinc/03/01/74/490030174.db2.gz XHOSQVPZKSASSJ-SSDOTTSWSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1ccc(F)cn1 124437452 490030224 /nfs/dbraw/zinc/03/02/24/490030224.db2.gz MSDPDBUCHKAKDS-YUMQZZPRSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@H](CCO)N[C@H](C)c1cccnc1 124458060 490030383 /nfs/dbraw/zinc/03/03/83/490030383.db2.gz WZMOQVDPEPHENS-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN OCc1ccc(CNCCCF)o1 124420236 490030402 /nfs/dbraw/zinc/03/04/02/490030402.db2.gz YMAXZAFRKHCGOJ-UHFFFAOYSA-N 0 3 187.214 1.221 20 0 ADADHN C[C@@H](CCO)N[C@@H](C)c1cccnc1 124457400 490030416 /nfs/dbraw/zinc/03/04/16/490030416.db2.gz WZMOQVDPEPHENS-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](N[C@H](C)CCO)c1cccnc1 124457644 490030519 /nfs/dbraw/zinc/03/05/19/490030519.db2.gz WZMOQVDPEPHENS-ZJUUUORDSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1ccc(F)cn1 124437936 490030526 /nfs/dbraw/zinc/03/05/26/490030526.db2.gz MSDPDBUCHKAKDS-JGVFFNPUSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@H](NC(=O)C(C)(C)N)C1CCC1 124162382 490030609 /nfs/dbraw/zinc/03/06/09/490030609.db2.gz XHOSQVPZKSASSJ-ZETCQYMHSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1ccc(CN(C)[C@H](C)CO)o1 124650658 490031072 /nfs/dbraw/zinc/03/10/72/490031072.db2.gz QMQLLUCLYJLOFG-MRVPVSSYSA-N 0 3 183.251 1.401 20 0 ADADHN C[C@H](CO)N(C)Cc1ccc(O)cc1 124651954 490031083 /nfs/dbraw/zinc/03/10/83/490031083.db2.gz FPBCKSUIZJQKTA-SECBINFHSA-N 0 3 195.262 1.205 20 0 ADADHN C[C@@H](CO)N(C)Cc1ccc(O)cc1 124651773 490031305 /nfs/dbraw/zinc/03/13/05/490031305.db2.gz FPBCKSUIZJQKTA-VIFPVBQESA-N 0 3 195.262 1.205 20 0 ADADHN C[C@H](CO)N(C)Cc1cccs1 124647386 490031363 /nfs/dbraw/zinc/03/13/63/490031363.db2.gz CNZCYBCXFHOXTF-MRVPVSSYSA-N 0 3 185.292 1.561 20 0 ADADHN C[C@H](CO)N(C)Cc1cccc(O)c1 124662200 490031911 /nfs/dbraw/zinc/03/19/11/490031911.db2.gz DWXROCARKNPDPO-SECBINFHSA-N 0 3 195.262 1.205 20 0 ADADHN C[C@H](CO)N(C)Cc1ccsc1 124689182 490031969 /nfs/dbraw/zinc/03/19/69/490031969.db2.gz OZEJOMXKKJPWQT-MRVPVSSYSA-N 0 3 185.292 1.561 20 0 ADADHN CC[C@@H](NCc1ccn(C)n1)C1CC1 124702517 490032018 /nfs/dbraw/zinc/03/20/18/490032018.db2.gz SZEMEDDUIRICDF-LLVKDONJSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@H](NCc1ccn(C)n1)C1CC1 124702301 490032349 /nfs/dbraw/zinc/03/23/49/490032349.db2.gz SZEMEDDUIRICDF-NSHDSACASA-N 0 3 193.294 1.698 20 0 ADADHN C1=C(CNCc2ccoc2)COCC1 124661460 490032375 /nfs/dbraw/zinc/03/23/75/490032375.db2.gz YTCUBBUKBYGAMF-UHFFFAOYSA-N 0 3 193.246 1.716 20 0 ADADHN CCCC(C)(C)NC(=O)[C@H](C)NC 126164621 490036664 /nfs/dbraw/zinc/03/66/64/490036664.db2.gz NHVNEZGOPPRDAJ-QMMMGPOBSA-N 0 3 186.299 1.289 20 0 ADADHN C[C@H](CO)N(C)Cc1ccc(F)cc1 126673687 490037880 /nfs/dbraw/zinc/03/78/80/490037880.db2.gz JEHNIXQVFBBOBE-SECBINFHSA-N 0 3 197.253 1.638 20 0 ADADHN Cc1ncc([C@H](C)NCCO)s1 126950019 490040292 /nfs/dbraw/zinc/04/02/92/490040292.db2.gz CRIZQJHGDCXLEO-LURJTMIESA-N 0 3 186.280 1.094 20 0 ADADHN CCNCc1c(CC)nn(C)c1CC 126884064 490040313 /nfs/dbraw/zinc/04/03/13/490040313.db2.gz IOILVNKCCAFMKI-UHFFFAOYSA-N 0 3 195.310 1.654 20 0 ADADHN Cc1ncc([C@@H](C)NCCO)s1 126949860 490040443 /nfs/dbraw/zinc/04/04/43/490040443.db2.gz CRIZQJHGDCXLEO-ZCFIWIBFSA-N 0 3 186.280 1.094 20 0 ADADHN CCN(CCO)Cc1cccnc1C 127970681 490043860 /nfs/dbraw/zinc/04/38/60/490043860.db2.gz HHVJXZLBVUPWGX-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN Cc1ccoc1CN(CCO)C(C)C 128052433 490043915 /nfs/dbraw/zinc/04/39/15/490043915.db2.gz GYGKUIFCUWMINP-UHFFFAOYSA-N 0 3 197.278 1.791 20 0 ADADHN CCN(CCO)Cc1sccc1C 127966413 490044144 /nfs/dbraw/zinc/04/41/44/490044144.db2.gz CIQNNIBLUYTILB-UHFFFAOYSA-N 0 3 199.319 1.871 20 0 ADADHN CCCN(CCO)Cc1occc1C 128037117 490044201 /nfs/dbraw/zinc/04/42/01/490044201.db2.gz IZILLCWSSHHIAV-UHFFFAOYSA-N 0 3 197.278 1.792 20 0 ADADHN CCN(CCO)Cc1occc1C 127968408 490044211 /nfs/dbraw/zinc/04/42/11/490044211.db2.gz OTKHIAJCQNHOMX-UHFFFAOYSA-N 0 3 183.251 1.402 20 0 ADADHN CCCN(CCO)Cc1ccn(C)c1 128030764 490044351 /nfs/dbraw/zinc/04/43/51/490044351.db2.gz UQINSDCOYWKXLT-UHFFFAOYSA-N 0 3 196.294 1.229 20 0 ADADHN CC(C)N(CCO)Cc1ccn(C)c1 128046914 490044538 /nfs/dbraw/zinc/04/45/38/490044538.db2.gz PKFIDQLLRUJGJV-UHFFFAOYSA-N 0 3 196.294 1.228 20 0 ADADHN CCc1ccc(CN(CC)CCO)o1 127959905 490044583 /nfs/dbraw/zinc/04/45/83/490044583.db2.gz MZYHYNSBTLJAES-UHFFFAOYSA-N 0 3 197.278 1.656 20 0 ADADHN CCN(CCO)Cc1ccc(C)s1 127966673 490044590 /nfs/dbraw/zinc/04/45/90/490044590.db2.gz JQRUCAWVCWQIDA-UHFFFAOYSA-N 0 3 199.319 1.871 20 0 ADADHN C[C@@H](O)CCN(C)CC1=CCCOC1 128436526 490044896 /nfs/dbraw/zinc/04/48/96/490044896.db2.gz FEUFOFUFSSLXKI-SNVBAGLBSA-N 0 3 199.294 1.036 20 0 ADADHN C[C@@H](O)CCN(C)Cc1ccn(C)c1 128432393 490044955 /nfs/dbraw/zinc/04/49/55/490044955.db2.gz PQUSBSSEMHUEFJ-SNVBAGLBSA-N 0 3 196.294 1.228 20 0 ADADHN C[C@H](O)CCN(C)Cc1ccn(C)c1 128432178 490045022 /nfs/dbraw/zinc/04/50/22/490045022.db2.gz PQUSBSSEMHUEFJ-JTQLQIEISA-N 0 3 196.294 1.228 20 0 ADADHN CC(C)N(Cc1ccco1)C[C@H](C)O 128383531 490045496 /nfs/dbraw/zinc/04/54/96/490045496.db2.gz LUSBNYGVZVBLAI-JTQLQIEISA-N 0 3 197.278 1.871 20 0 ADADHN CC(C)N(Cc1ccco1)C[C@@H](C)O 128383315 490045189 /nfs/dbraw/zinc/04/51/89/490045189.db2.gz LUSBNYGVZVBLAI-SNVBAGLBSA-N 0 3 197.278 1.871 20 0 ADADHN Cc1ccoc1CN(C)CC[C@@H](C)O 128435612 490045359 /nfs/dbraw/zinc/04/53/59/490045359.db2.gz PVWDYVHMTFWMIW-SNVBAGLBSA-N 0 3 197.278 1.791 20 0 ADADHN OCCN(Cc1ccco1)CC1CC1 128347778 490045561 /nfs/dbraw/zinc/04/55/61/490045561.db2.gz NDMDKTRALMJNAG-UHFFFAOYSA-N 0 3 195.262 1.484 20 0 ADADHN Cc1ccoc1CN(C)CC[C@H](C)O 128435859 490045601 /nfs/dbraw/zinc/04/56/01/490045601.db2.gz PVWDYVHMTFWMIW-JTQLQIEISA-N 0 3 197.278 1.791 20 0 ADADHN C[C@H](O)CCN(C)CC1=CCCOC1 128436295 490045726 /nfs/dbraw/zinc/04/57/26/490045726.db2.gz FEUFOFUFSSLXKI-JTQLQIEISA-N 0 3 199.294 1.036 20 0 ADADHN CC[C@@H](C)CNCc1nncn1CC 128863684 490046411 /nfs/dbraw/zinc/04/64/11/490046411.db2.gz GEPZIZKNIYPXOC-SECBINFHSA-N 0 3 196.298 1.434 20 0 ADADHN CCc1cc(CNC(C)C)on1 128693737 490046422 /nfs/dbraw/zinc/04/64/22/490046422.db2.gz WGFIGGUPUKJZSB-UHFFFAOYSA-N 0 3 168.240 1.735 20 0 ADADHN Cc1ccoc1CNCC1(CO)CC1 128857800 490046491 /nfs/dbraw/zinc/04/64/91/490046491.db2.gz AZMSZMAXBHKTTC-UHFFFAOYSA-N 0 3 195.262 1.450 20 0 ADADHN CC[C@H](C)CNCc1nncn1CC 128863877 490046733 /nfs/dbraw/zinc/04/67/33/490046733.db2.gz GEPZIZKNIYPXOC-VIFPVBQESA-N 0 3 196.298 1.434 20 0 ADADHN CCn1cc(CNC2CC(C)C2)cn1 128878986 490046803 /nfs/dbraw/zinc/04/68/03/490046803.db2.gz NJYXXXQVFNNSKD-UHFFFAOYSA-N 0 3 193.294 1.791 20 0 ADADHN CCn1ccnc1CNC1CC(C)C1 128885168 490047373 /nfs/dbraw/zinc/04/73/73/490047373.db2.gz RQDXYRFXYUYDSK-UHFFFAOYSA-N 0 3 193.294 1.791 20 0 ADADHN CC1CC(NCc2ccc(CO)o2)C1 128892398 490047475 /nfs/dbraw/zinc/04/74/75/490047475.db2.gz JIHDPDHGUNEPFV-UHFFFAOYSA-N 0 3 195.262 1.660 20 0 ADADHN Cc1ccncc1[C@H](C)NC[C@@H](C)O 129164493 490048131 /nfs/dbraw/zinc/04/81/31/490048131.db2.gz JOJBXWRPZSWXIH-ZJUUUORDSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1ccncc1[C@@H](C)NC[C@H](C)O 129164720 490048195 /nfs/dbraw/zinc/04/81/95/490048195.db2.gz JOJBXWRPZSWXIH-VHSXEESVSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1ccncc1[C@@H](C)NC[C@@H](C)O 129164267 490048383 /nfs/dbraw/zinc/04/83/83/490048383.db2.gz JOJBXWRPZSWXIH-NXEZZACHSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1ccncc1[C@H](C)NCCCO 129169003 490049067 /nfs/dbraw/zinc/04/90/67/490049067.db2.gz MVPOYNYIRMOFAE-JTQLQIEISA-N 0 3 194.278 1.423 20 0 ADADHN COCCN[C@H](C)c1cnccc1C 129173414 490049229 /nfs/dbraw/zinc/04/92/29/490049229.db2.gz GTJKZOYLLYOSBC-SNVBAGLBSA-N 0 3 194.278 1.687 20 0 ADADHN Cc1ccncc1[C@H](C)N[C@@H](C)CO 129227413 490049315 /nfs/dbraw/zinc/04/93/15/490049315.db2.gz DQVCZMKTTQNILM-UWVGGRQHSA-N 0 3 194.278 1.421 20 0 ADADHN COCCN[C@@H](C)c1cnccc1C 129173625 490049328 /nfs/dbraw/zinc/04/93/28/490049328.db2.gz GTJKZOYLLYOSBC-JTQLQIEISA-N 0 3 194.278 1.687 20 0 ADADHN Cc1ccncc1[C@H](C)NC[C@H](C)O 129164926 490049405 /nfs/dbraw/zinc/04/94/05/490049405.db2.gz JOJBXWRPZSWXIH-UWVGGRQHSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1ccncc1[C@@H](C)NCCCO 129168771 490049415 /nfs/dbraw/zinc/04/94/15/490049415.db2.gz MVPOYNYIRMOFAE-SNVBAGLBSA-N 0 3 194.278 1.423 20 0 ADADHN C[C@H](CC(N)=O)NCc1ccsc1 129273473 490049439 /nfs/dbraw/zinc/04/94/39/490049439.db2.gz FYWKTSBCMHJOFW-SSDOTTSWSA-N 0 3 198.291 1.102 20 0 ADADHN Cc1ccncc1[C@@H](C)N[C@@H](C)CO 129227164 490049449 /nfs/dbraw/zinc/04/94/49/490049449.db2.gz DQVCZMKTTQNILM-VHSXEESVSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1ccncc1[C@H](C)NCCO 129181365 490049465 /nfs/dbraw/zinc/04/94/65/490049465.db2.gz GYCBMANFCATJGO-VIFPVBQESA-N 0 3 180.251 1.033 20 0 ADADHN Cc1ccncc1[C@@H](C)N[C@H](C)CO 129183839 490049471 /nfs/dbraw/zinc/04/94/71/490049471.db2.gz DQVCZMKTTQNILM-NXEZZACHSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1ccncc1[C@@H](C)NCCO 129181132 490049502 /nfs/dbraw/zinc/04/95/02/490049502.db2.gz GYCBMANFCATJGO-SECBINFHSA-N 0 3 180.251 1.033 20 0 ADADHN Cc1ccncc1[C@H](C)N[C@H](C)CO 129184063 490049508 /nfs/dbraw/zinc/04/95/08/490049508.db2.gz DQVCZMKTTQNILM-ZJUUUORDSA-N 0 3 194.278 1.421 20 0 ADADHN C[C@@H](CC(N)=O)NCc1ccsc1 129273261 490049590 /nfs/dbraw/zinc/04/95/90/490049590.db2.gz FYWKTSBCMHJOFW-ZETCQYMHSA-N 0 3 198.291 1.102 20 0 ADADHN CCC[C@@H](C)NCc1cnnn1C 129671418 490052025 /nfs/dbraw/zinc/05/20/25/490052025.db2.gz CMHZOQTXCYIAIG-MRVPVSSYSA-N 0 3 182.271 1.093 20 0 ADADHN Cc1ccoc1CN[C@H](CO)C(C)C 129572215 490052129 /nfs/dbraw/zinc/05/21/29/490052129.db2.gz IGNUNIBTOHPQQZ-SNVBAGLBSA-N 0 3 197.278 1.695 20 0 ADADHN CCC[C@H](C)NCc1cnnn1C 129671646 490052254 /nfs/dbraw/zinc/05/22/54/490052254.db2.gz CMHZOQTXCYIAIG-QMMMGPOBSA-N 0 3 182.271 1.093 20 0 ADADHN CCCC(C)(C)NCc1ncnn1C 129630650 490052416 /nfs/dbraw/zinc/05/24/16/490052416.db2.gz WKQCMGBXTJYWRI-UHFFFAOYSA-N 0 3 196.298 1.483 20 0 ADADHN CC[C@H](C)[C@@H](C)NCc1cnnn1C 129727915 490052812 /nfs/dbraw/zinc/05/28/12/490052812.db2.gz NTORHUBCTSVTCM-DTWKUNHWSA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@H](C)[C@H](C)NCc1cnnn1C 129728386 490052926 /nfs/dbraw/zinc/05/29/26/490052926.db2.gz NTORHUBCTSVTCM-IUCAKERBSA-N 0 3 196.298 1.339 20 0 ADADHN CC(C)CCCNCc1cnnn1C 129700462 490052949 /nfs/dbraw/zinc/05/29/49/490052949.db2.gz LOMKLHMDKHAZAW-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN CCC(C)(C)NCc1cnnn1C 129739006 490052968 /nfs/dbraw/zinc/05/29/68/490052968.db2.gz FXTYEROPXHWIAS-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN CC[C@@H](C)[C@H](C)NCc1cnnn1C 129728159 490053060 /nfs/dbraw/zinc/05/30/60/490053060.db2.gz NTORHUBCTSVTCM-BDAKNGLRSA-N 0 3 196.298 1.339 20 0 ADADHN CCC[C@@H](CC)NCc1cnnn1C 129750907 490053108 /nfs/dbraw/zinc/05/31/08/490053108.db2.gz VXMXJTWZTHMJGO-SECBINFHSA-N 0 3 196.298 1.483 20 0 ADADHN CCC(CC)CNCc1cnnn1C 129755187 490053225 /nfs/dbraw/zinc/05/32/25/490053225.db2.gz VEBJVSBHBANNTM-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN CCC(CC)NCc1cnnn1C 129678766 490053252 /nfs/dbraw/zinc/05/32/52/490053252.db2.gz GOLAQIYFCPHMNB-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN Cn1nncc1CNCCC(C)(C)C 129702978 490053428 /nfs/dbraw/zinc/05/34/28/490053428.db2.gz BTTZLSLYSKBYEH-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN CC[C@@H](C)[C@@H](C)NCc1cnnn1C 129727672 490053462 /nfs/dbraw/zinc/05/34/62/490053462.db2.gz NTORHUBCTSVTCM-RKDXNWHRSA-N 0 3 196.298 1.339 20 0 ADADHN CCCCCNCc1cnnn1C 129684095 490053475 /nfs/dbraw/zinc/05/34/75/490053475.db2.gz KPMHAPXVWFNTDZ-UHFFFAOYSA-N 0 3 182.271 1.095 20 0 ADADHN Cn1nncc1CNCC1CCCC1 129701408 490053502 /nfs/dbraw/zinc/05/35/02/490053502.db2.gz FUSRRECWSXGMTO-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN CCCC(C)(C)NCc1cnnn1C 129759011 490053528 /nfs/dbraw/zinc/05/35/28/490053528.db2.gz JPCJXNOFMIZCEB-UHFFFAOYSA-N 0 3 196.298 1.483 20 0 ADADHN CCC[C@H](CC)NCc1cnnn1C 129751099 490053539 /nfs/dbraw/zinc/05/35/39/490053539.db2.gz VXMXJTWZTHMJGO-VIFPVBQESA-N 0 3 196.298 1.483 20 0 ADADHN CC[C@@H](NCc1nnc(C)[nH]1)C1CC1 129826422 490053879 /nfs/dbraw/zinc/05/38/79/490053879.db2.gz OLRAWLDVDQZJCC-SECBINFHSA-N 0 3 194.282 1.391 20 0 ADADHN CC[C@H](NCc1nnc(C)[nH]1)C1CC1 129826224 490054345 /nfs/dbraw/zinc/05/43/45/490054345.db2.gz OLRAWLDVDQZJCC-VIFPVBQESA-N 0 3 194.282 1.391 20 0 ADADHN COCC(C)(C)NCc1cc[nH]c1 129981042 490054396 /nfs/dbraw/zinc/05/43/96/490054396.db2.gz KWIWXGHMFFGIDG-UHFFFAOYSA-N 0 3 182.267 1.529 20 0 ADADHN Cn1ncnc1CNCCC(C)(C)C 130003686 490054841 /nfs/dbraw/zinc/05/48/41/490054841.db2.gz RXCJOKSDEMSNLN-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN C[C@@H](CN(C)C)N[C@H](C)c1ccco1 130165893 490054985 /nfs/dbraw/zinc/05/49/85/490054985.db2.gz XUQHKLRSCWGWEC-VHSXEESVSA-N 0 3 196.294 1.880 20 0 ADADHN C[C@@H](CN(C)C)N[C@H](C)c1ccoc1 130084567 490055139 /nfs/dbraw/zinc/05/51/39/490055139.db2.gz HIPIGVIILZRBRL-VHSXEESVSA-N 0 3 196.294 1.880 20 0 ADADHN Cc1ccc(CN[C@@H](C)CN(C)C)o1 130129079 490055179 /nfs/dbraw/zinc/05/51/79/490055179.db2.gz MTOPKEOQCZTQKI-VIFPVBQESA-N 0 3 196.294 1.628 20 0 ADADHN C[C@@H](CN(C)C)NCc1cncs1 130111258 490055209 /nfs/dbraw/zinc/05/52/09/490055209.db2.gz CXOICRDCNDFKHJ-QMMMGPOBSA-N 0 3 199.323 1.183 20 0 ADADHN C[C@@H](CN(C)C)N[C@@H](C)c1ccco1 130165457 490055475 /nfs/dbraw/zinc/05/54/75/490055475.db2.gz XUQHKLRSCWGWEC-UWVGGRQHSA-N 0 3 196.294 1.880 20 0 ADADHN C[C@@H](CN(C)C)N[C@@H](C)c1ccoc1 130084124 490055540 /nfs/dbraw/zinc/05/55/40/490055540.db2.gz HIPIGVIILZRBRL-UWVGGRQHSA-N 0 3 196.294 1.880 20 0 ADADHN CCCn1nccc1CNCC1CC1 164825870 490059386 /nfs/dbraw/zinc/05/93/86/490059386.db2.gz PTFFIETYCXNBBQ-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CN(C/C=C\c1ccccc1)CCO 199290922 490063257 /nfs/dbraw/zinc/06/32/57/490063257.db2.gz ZONYGGHYMHLGLC-YVMONPNESA-N 0 3 191.274 1.624 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 218326039 490070087 /nfs/dbraw/zinc/07/00/87/490070087.db2.gz RLHYPWJBPDJDNV-AATLWQCWSA-N 0 3 198.310 1.275 20 0 ADADHN CCC(CC)NCc1ccno1 219166682 490071410 /nfs/dbraw/zinc/07/14/10/490071410.db2.gz VGFZOCSGZYODAX-UHFFFAOYSA-N 0 3 168.240 1.953 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1ccnn1C 219287065 490072292 /nfs/dbraw/zinc/07/22/92/490072292.db2.gz GJJFNNFHYPYOTB-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN C=Cn1cc(CNCC2(C)CC2)cn1 219389758 490072760 /nfs/dbraw/zinc/07/27/60/490072760.db2.gz NXTAVXDOTZEZLN-UHFFFAOYSA-N 0 3 191.278 1.873 20 0 ADADHN C[C@H](NCC1(C)CC1)c1ccnn1C 219287093 490072810 /nfs/dbraw/zinc/07/28/10/490072810.db2.gz GJJFNNFHYPYOTB-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN CCCN(C)Cc1ccc(OC)cn1 219940244 490073585 /nfs/dbraw/zinc/07/35/85/490073585.db2.gz DOQLDKQHPAXVFA-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN C[C@@H](c1cccc(F)c1)N(C)CCO 220990499 490077866 /nfs/dbraw/zinc/07/78/66/490077866.db2.gz KIEZQLLTTXLSFL-VIFPVBQESA-N 0 3 197.253 1.811 20 0 ADADHN CCC(=O)N1CCCN(C)C[C@H]1CC 300355312 490092806 /nfs/dbraw/zinc/09/28/06/490092806.db2.gz NNVLNJFHBCJCGJ-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)n1nccc1CNC1CC1 300717849 490097681 /nfs/dbraw/zinc/09/76/81/490097681.db2.gz YEGYNCWWHJFUJV-UHFFFAOYSA-N 0 3 179.267 1.716 20 0 ADADHN CC(C)NCc1ccnn1C(C)C 300717652 490097797 /nfs/dbraw/zinc/09/77/97/490097797.db2.gz UXGGRFKDGSFFDX-UHFFFAOYSA-N 0 3 181.283 1.962 20 0 ADADHN CO[C@H](C)[C@H](C)N[C@H](C)c1cn[nH]c1 300396078 490097887 /nfs/dbraw/zinc/09/78/87/490097887.db2.gz XKLWVOWJAFQEBF-DJLDLDEBSA-N 0 3 197.282 1.484 20 0 ADADHN CN(CCCO)CCOC(C)(C)C 300765348 490099769 /nfs/dbraw/zinc/09/97/69/490099769.db2.gz RMYURZFHXNQFII-UHFFFAOYSA-N 0 3 189.299 1.116 20 0 ADADHN CN(CCCO)Cc1cccc(O)c1 300769003 490101092 /nfs/dbraw/zinc/10/10/92/490101092.db2.gz XSVFGAHFQDLMOR-UHFFFAOYSA-N 0 3 195.262 1.206 20 0 ADADHN CN[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C 306198820 490116248 /nfs/dbraw/zinc/11/62/48/490116248.db2.gz QDNMFKNUEUBATF-BBBLOLIVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)[C@@H](N)c1cn(C2CC2)nn1 306538892 490124509 /nfs/dbraw/zinc/12/45/09/490124509.db2.gz UHGMESNHZAVLQQ-SECBINFHSA-N 0 3 180.255 1.269 20 0 ADADHN CC(C)[C@H](N)c1cn(C2CC2)nn1 306538893 490124539 /nfs/dbraw/zinc/12/45/39/490124539.db2.gz UHGMESNHZAVLQQ-VIFPVBQESA-N 0 3 180.255 1.269 20 0 ADADHN C[C@@H]1CCCN1[C@H](C)C(=O)NC1CC1 335720091 490136345 /nfs/dbraw/zinc/13/63/45/490136345.db2.gz UKSHDPMRRGSXLM-RKDXNWHRSA-N 0 3 196.294 1.138 20 0 ADADHN CC(C)CN1CCc2n[nH]cc2C1 335715743 490136491 /nfs/dbraw/zinc/13/64/91/490136491.db2.gz QLCHJBUNSGPBFR-UHFFFAOYSA-N 0 3 179.267 1.424 20 0 ADADHN CC(C)C1(NCc2ncc[nH]2)CC1 378802772 490138799 /nfs/dbraw/zinc/13/87/99/490138799.db2.gz VVLIHPNERBDSGW-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN CCOCC(C)(C)NCc1c[nH]cn1 378807357 490139268 /nfs/dbraw/zinc/13/92/68/490139268.db2.gz XTAPTUJPTYGUKJ-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CCOCC(C)(C)NCc1cnc[nH]1 378807357 490139274 /nfs/dbraw/zinc/13/92/74/490139274.db2.gz XTAPTUJPTYGUKJ-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CCn1cncc1CNC1(CC)CC1 379723054 490140485 /nfs/dbraw/zinc/14/04/85/490140485.db2.gz LTQUYCZTCXSKQP-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CCc1nocc1CNCC(C)(C)O 393194770 490142194 /nfs/dbraw/zinc/14/21/94/490142194.db2.gz YJVMJKPNHQSWLU-UHFFFAOYSA-N 0 3 198.266 1.098 20 0 ADADHN Cc1ccc(CN(C)[C@H](C)CO)cn1 405531772 490149647 /nfs/dbraw/zinc/14/96/47/490149647.db2.gz BTWLGDYFVHFUEY-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN C[C@H]1CC[C@@](N)(c2ncc[nH]2)C1 521402204 490151663 /nfs/dbraw/zinc/15/16/63/490151663.db2.gz XPYWGESRAAFDNZ-CBAPKCEASA-N 0 3 165.240 1.384 20 0 ADADHN C[C@@H]1CC[C@](N)(c2ncc[nH]2)C1 521402206 490151680 /nfs/dbraw/zinc/15/16/80/490151680.db2.gz XPYWGESRAAFDNZ-VXNVDRBHSA-N 0 3 165.240 1.384 20 0 ADADHN C[C@@H]1CCC[C@]1(N)c1ncc[nH]1 521402228 490151694 /nfs/dbraw/zinc/15/16/94/490151694.db2.gz YDQHUTQJJLMPET-VXNVDRBHSA-N 0 3 165.240 1.384 20 0 ADADHN C[C@H]1CCC[C@]1(N)c1ncc[nH]1 521402227 490151750 /nfs/dbraw/zinc/15/17/50/490151750.db2.gz YDQHUTQJJLMPET-IONNQARKSA-N 0 3 165.240 1.384 20 0 ADADHN C[C@@H]1SCC[C@]1(N)c1ncc[nH]1 521402221 490151777 /nfs/dbraw/zinc/15/17/77/490151777.db2.gz XYNZLUZKEMDMBW-POYBYMJQSA-N 0 3 183.280 1.089 20 0 ADADHN C[C@@H]1CCC[C@@]1(N)c1ncc[nH]1 521402225 490151795 /nfs/dbraw/zinc/15/17/95/490151795.db2.gz YDQHUTQJJLMPET-APPZFPTMSA-N 0 3 165.240 1.384 20 0 ADADHN C[C@@H]1CC[C@@](N)(c2ncc[nH]2)C1 521402203 490151806 /nfs/dbraw/zinc/15/18/06/490151806.db2.gz XPYWGESRAAFDNZ-APPZFPTMSA-N 0 3 165.240 1.384 20 0 ADADHN C[C@H]1SCC[C@]1(N)c1ncc[nH]1 521402220 490151830 /nfs/dbraw/zinc/15/18/30/490151830.db2.gz XYNZLUZKEMDMBW-HTRCEHHLSA-N 0 3 183.280 1.089 20 0 ADADHN C[C@H]1CCC[C@@]1(N)c1ncc[nH]1 521402226 490151842 /nfs/dbraw/zinc/15/18/42/490151842.db2.gz YDQHUTQJJLMPET-CBAPKCEASA-N 0 3 165.240 1.384 20 0 ADADHN C[C@@H]1SCC[C@@]1(N)c1ncc[nH]1 521402223 490151862 /nfs/dbraw/zinc/15/18/62/490151862.db2.gz XYNZLUZKEMDMBW-XPUUQOCRSA-N 0 3 183.280 1.089 20 0 ADADHN C[C@H]1CC[C@](N)(c2ncc[nH]2)C1 521402205 490151875 /nfs/dbraw/zinc/15/18/75/490151875.db2.gz XPYWGESRAAFDNZ-IONNQARKSA-N 0 3 165.240 1.384 20 0 ADADHN C[C@H]1SCC[C@@]1(N)c1ncc[nH]1 521402222 490151910 /nfs/dbraw/zinc/15/19/10/490151910.db2.gz XYNZLUZKEMDMBW-SVRRBLITSA-N 0 3 183.280 1.089 20 0 ADADHN C[C@H]1C[C@H]1CN(C)Cc1cnn(C)c1 683109828 490171048 /nfs/dbraw/zinc/17/10/48/490171048.db2.gz JVECHWCZDMSVMB-ONGXEEELSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1C[C@@H]1CN(C)Cc1cnn(C)c1 683109827 490171175 /nfs/dbraw/zinc/17/11/75/490171175.db2.gz JVECHWCZDMSVMB-MWLCHTKSSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1C[C@H]1CN(C)Cc1cnn(C)c1 683109826 490172176 /nfs/dbraw/zinc/17/21/76/490172176.db2.gz JVECHWCZDMSVMB-KOLCDFICSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@H]1C[C@@H]1CN(C)Cc1cnn(C)c1 683109825 490172272 /nfs/dbraw/zinc/17/22/72/490172272.db2.gz JVECHWCZDMSVMB-GXSJLCMTSA-N 0 3 193.294 1.508 20 0 ADADHN CC(C)[C@@H]1CN(C[C@@H]2C[C@@H]2C)CCO1 683109896 490172971 /nfs/dbraw/zinc/17/29/71/490172971.db2.gz HRLJEIDJUAKYLD-SRVKXCTJSA-N 0 3 197.322 1.999 20 0 ADADHN CC(C)[C@@H]1CN(C[C@H]2C[C@@H]2C)CCO1 683109897 490173017 /nfs/dbraw/zinc/17/30/17/490173017.db2.gz HRLJEIDJUAKYLD-TUAOUCFPSA-N 0 3 197.322 1.999 20 0 ADADHN CC(C)[C@@H]1CN(C[C@@H]2C[C@H]2C)CCO1 683109899 490173107 /nfs/dbraw/zinc/17/31/07/490173107.db2.gz HRLJEIDJUAKYLD-WOPDTQHZSA-N 0 3 197.322 1.999 20 0 ADADHN CC(C)[C@@H]1CN(C[C@H]2C[C@H]2C)CCO1 683109898 490173148 /nfs/dbraw/zinc/17/31/48/490173148.db2.gz HRLJEIDJUAKYLD-UTUOFQBUSA-N 0 3 197.322 1.999 20 0 ADADHN CCOC(=O)CN1C[C@H](C)CC1(C)C 380414957 697912492 /nfs/dbraw/zinc/91/24/92/697912492.db2.gz HIGUHGATZJWOKM-SECBINFHSA-N 0 3 199.294 1.670 20 0 ADADHN CCCCN(C)C[C@@H](O)C(F)(F)F 82680015 491022551 /nfs/dbraw/zinc/02/25/51/491022551.db2.gz ITPWMGAESDPHHM-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN CN(CC1CC1)C[C@H](O)C(F)(F)F 82680159 491022597 /nfs/dbraw/zinc/02/25/97/491022597.db2.gz AWJCJSTVKCZGMF-ZETCQYMHSA-N 0 3 197.200 1.251 20 0 ADADHN CCCCN(C)C[C@H](O)C(F)(F)F 82680014 491022601 /nfs/dbraw/zinc/02/26/01/491022601.db2.gz ITPWMGAESDPHHM-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN CC[C@H](C)N(C)C[C@H](O)C(F)(F)F 82680090 491022631 /nfs/dbraw/zinc/02/26/31/491022631.db2.gz LQDXJJQTLGSUNK-BQBZGAKWSA-N 0 3 199.216 1.640 20 0 ADADHN CC[C@@H](C)N(C)C[C@H](O)C(F)(F)F 82680089 491022638 /nfs/dbraw/zinc/02/26/38/491022638.db2.gz LQDXJJQTLGSUNK-RQJHMYQMSA-N 0 3 199.216 1.640 20 0 ADADHN CCCN(C)C[C@@H](O)C(F)(F)F 82680096 491022645 /nfs/dbraw/zinc/02/26/45/491022645.db2.gz JQORTYHYQJTIRR-ZCFIWIBFSA-N 0 3 185.189 1.251 20 0 ADADHN CCCN(C)C[C@H](O)C(F)(F)F 82680095 491022652 /nfs/dbraw/zinc/02/26/52/491022652.db2.gz JQORTYHYQJTIRR-LURJTMIESA-N 0 3 185.189 1.251 20 0 ADADHN CN(CC1CC1)C[C@@H](O)C(F)(F)F 82680160 491022675 /nfs/dbraw/zinc/02/26/75/491022675.db2.gz AWJCJSTVKCZGMF-SSDOTTSWSA-N 0 3 197.200 1.251 20 0 ADADHN OCC1(NCc2cccs2)CCC1 82863443 491022825 /nfs/dbraw/zinc/02/28/25/491022825.db2.gz GNNZCHBVTCFVFB-UHFFFAOYSA-N 0 3 197.303 1.753 20 0 ADADHN CCN[C@H](CCO)c1ccco1 82918351 491022931 /nfs/dbraw/zinc/02/29/31/491022931.db2.gz GTPIOBCJXSBVEM-MRVPVSSYSA-N 0 3 169.224 1.313 20 0 ADADHN CCCN[C@H](CCO)c1ccco1 82918369 491022943 /nfs/dbraw/zinc/02/29/43/491022943.db2.gz YZRLJSUWZQXKPU-SECBINFHSA-N 0 3 183.251 1.703 20 0 ADADHN CCN[C@@H](CCO)c1ccco1 82918350 491022945 /nfs/dbraw/zinc/02/29/45/491022945.db2.gz GTPIOBCJXSBVEM-QMMMGPOBSA-N 0 3 169.224 1.313 20 0 ADADHN OCCN1CC[C@H](c2ccco2)C1 82873743 491022955 /nfs/dbraw/zinc/02/29/55/491022955.db2.gz OCMYUWAUZDSWTM-VIFPVBQESA-N 0 3 181.235 1.061 20 0 ADADHN OCCN1CC[C@@H](c2ccco2)C1 82873742 491023010 /nfs/dbraw/zinc/02/30/10/491023010.db2.gz OCMYUWAUZDSWTM-SECBINFHSA-N 0 3 181.235 1.061 20 0 ADADHN CCCN[C@@H](CCO)c1ccco1 82918368 491023027 /nfs/dbraw/zinc/02/30/27/491023027.db2.gz YZRLJSUWZQXKPU-VIFPVBQESA-N 0 3 183.251 1.703 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 19440742 491020952 /nfs/dbraw/zinc/02/09/52/491020952.db2.gz RLHYPWJBPDJDNV-KATARQTJSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H](NC(=O)[C@@H](C)N)c1ccccc1 19427701 491020955 /nfs/dbraw/zinc/02/09/55/491020955.db2.gz UJLHTMLCGCJXRX-BDAKNGLRSA-N 0 3 192.262 1.211 20 0 ADADHN CCC(C)(C)NC(=O)[C@@H](N)C(C)C 19476873 491020962 /nfs/dbraw/zinc/02/09/62/491020962.db2.gz UUCRRTAAPLIPLR-QMMMGPOBSA-N 0 3 186.299 1.275 20 0 ADADHN CNCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 19426508 491020973 /nfs/dbraw/zinc/02/09/73/491020973.db2.gz RXJNISQQRDDOIT-LPEHRKFASA-N 0 3 198.310 1.147 20 0 ADADHN CNCC(=O)Nc1cc(F)ccc1C 19427818 491020987 /nfs/dbraw/zinc/02/09/87/491020987.db2.gz LDLGIASCPLKEPO-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 19440738 491020995 /nfs/dbraw/zinc/02/09/95/491020995.db2.gz RLHYPWJBPDJDNV-XFWSIPNHSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H](N)C(=O)N[C@H](C)c1ccccc1 19427707 491021008 /nfs/dbraw/zinc/02/10/08/491021008.db2.gz UJLHTMLCGCJXRX-DTWKUNHWSA-N 0 3 192.262 1.211 20 0 ADADHN CCc1cccc(NC(=O)CNC)c1 19426289 491021018 /nfs/dbraw/zinc/02/10/18/491021018.db2.gz QHNNOOJDOBQMTI-UHFFFAOYSA-N 0 3 192.262 1.407 20 0 ADADHN C[C@H](N)C(=O)N[C@@H](C)c1ccccc1 19427703 491021022 /nfs/dbraw/zinc/02/10/22/491021022.db2.gz UJLHTMLCGCJXRX-IUCAKERBSA-N 0 3 192.262 1.211 20 0 ADADHN CN(C)CCN(C)C(=O)C(C)(C)C 81561504 491021732 /nfs/dbraw/zinc/02/17/32/491021732.db2.gz DEFMLXBCVKHQHA-UHFFFAOYSA-N 0 3 186.299 1.053 20 0 ADADHN CC[C@H](NCc1nncn1C)C1CC1 83055682 491023500 /nfs/dbraw/zinc/02/35/00/491023500.db2.gz VIEUAABLBRRFFB-VIFPVBQESA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H](NC[C@@H](C)CO)c1cccnc1 83219039 491023804 /nfs/dbraw/zinc/02/38/04/491023804.db2.gz OELWVIWEMGKQSP-ZJUUUORDSA-N 0 3 194.278 1.361 20 0 ADADHN OCCN[C@@H]1CCCc2cccnc21 85789520 491028102 /nfs/dbraw/zinc/02/81/02/491028102.db2.gz YOMJVHLIEPTIEF-SNVBAGLBSA-N 0 3 192.262 1.041 20 0 ADADHN CCCN(CCC)Cc1cnnn1C 82951414 491023153 /nfs/dbraw/zinc/02/31/53/491023153.db2.gz NXWXWVIPZXJDFS-UHFFFAOYSA-N 0 3 196.298 1.437 20 0 ADADHN CCc1ccc(CNCC[C@H](C)O)o1 82993445 491023166 /nfs/dbraw/zinc/02/31/66/491023166.db2.gz ZKPWENFIEICLTR-VIFPVBQESA-N 0 3 197.278 1.703 20 0 ADADHN CC[C@H](NCc1cc[nH]n1)C1CC1 83055849 491023461 /nfs/dbraw/zinc/02/34/61/491023461.db2.gz CKKYNVRIVHILEC-JTQLQIEISA-N 0 3 179.267 1.688 20 0 ADADHN CC[C@@H](NCc1nncn1C)C1CC1 83055684 491023509 /nfs/dbraw/zinc/02/35/09/491023509.db2.gz VIEUAABLBRRFFB-SECBINFHSA-N 0 3 194.282 1.093 20 0 ADADHN CC[C@@H](NCc1cc[nH]n1)C1CC1 83055850 491023520 /nfs/dbraw/zinc/02/35/20/491023520.db2.gz CKKYNVRIVHILEC-SNVBAGLBSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H](NC[C@@H](C)CO)c1ccccn1 83215441 491023549 /nfs/dbraw/zinc/02/35/49/491023549.db2.gz GNGVIDXVOCUSNN-ZJUUUORDSA-N 0 3 194.278 1.361 20 0 ADADHN C[C@H](CO)CN[C@@H](C)c1ccccn1 83215436 491023571 /nfs/dbraw/zinc/02/35/71/491023571.db2.gz GNGVIDXVOCUSNN-UWVGGRQHSA-N 0 3 194.278 1.361 20 0 ADADHN CCC(CC)NCc1ccon1 83119670 491023603 /nfs/dbraw/zinc/02/36/03/491023603.db2.gz LTOQUKLVBXXTIW-UHFFFAOYSA-N 0 3 168.240 1.953 20 0 ADADHN CC[C@H](NCc1nccn1C)C1CC1 83056575 491023616 /nfs/dbraw/zinc/02/36/16/491023616.db2.gz LSOUDNFVRIZALV-JTQLQIEISA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H](CO)CN[C@H](C)c1ccccn1 83215447 491023625 /nfs/dbraw/zinc/02/36/25/491023625.db2.gz GNGVIDXVOCUSNN-VHSXEESVSA-N 0 3 194.278 1.361 20 0 ADADHN C[C@@H](CO)CN[C@H](C)c1ccccn1 83215449 491023633 /nfs/dbraw/zinc/02/36/33/491023633.db2.gz GNGVIDXVOCUSNN-NXEZZACHSA-N 0 3 194.278 1.361 20 0 ADADHN CC[C@@H](NCc1nccn1C)C1CC1 83056577 491023644 /nfs/dbraw/zinc/02/36/44/491023644.db2.gz LSOUDNFVRIZALV-SNVBAGLBSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H](O)CCCNCc1ccco1 86085382 491028211 /nfs/dbraw/zinc/02/82/11/491028211.db2.gz QIQPICZRZXVJFJ-VIFPVBQESA-N 0 3 183.251 1.530 20 0 ADADHN CCN[C@@H](C)c1c(C)noc1C 86109634 491028222 /nfs/dbraw/zinc/02/82/22/491028222.db2.gz GBQIBRBYWRTAIN-LURJTMIESA-N 0 3 168.240 1.962 20 0 ADADHN C[C@H](CO)CN[C@H](C)c1ccco1 83219051 491023785 /nfs/dbraw/zinc/02/37/85/491023785.db2.gz UHVIOXADVRGKTG-DTWKUNHWSA-N 0 3 183.251 1.559 20 0 ADADHN C[C@@H](CO)CN[C@H](C)c1cccnc1 83219042 491023792 /nfs/dbraw/zinc/02/37/92/491023792.db2.gz OELWVIWEMGKQSP-NXEZZACHSA-N 0 3 194.278 1.361 20 0 ADADHN C[C@H](NC[C@@H](C)CO)c1ccco1 83219049 491023801 /nfs/dbraw/zinc/02/38/01/491023801.db2.gz UHVIOXADVRGKTG-BDAKNGLRSA-N 0 3 183.251 1.559 20 0 ADADHN C[C@H](CO)CN[C@H](C)c1cccnc1 83219040 491023811 /nfs/dbraw/zinc/02/38/11/491023811.db2.gz OELWVIWEMGKQSP-VHSXEESVSA-N 0 3 194.278 1.361 20 0 ADADHN C[C@H](CO)CN[C@@H](C)c1cccnc1 83219035 491023824 /nfs/dbraw/zinc/02/38/24/491023824.db2.gz OELWVIWEMGKQSP-UWVGGRQHSA-N 0 3 194.278 1.361 20 0 ADADHN CCc1ccc(CNC[C@@H](C)CO)o1 83219469 491023833 /nfs/dbraw/zinc/02/38/33/491023833.db2.gz SASBLLBWXHZBIC-SECBINFHSA-N 0 3 197.278 1.560 20 0 ADADHN C[C@H](CO)CN[C@@H](C)c1ccco1 83219048 491023838 /nfs/dbraw/zinc/02/38/38/491023838.db2.gz UHVIOXADVRGKTG-IUCAKERBSA-N 0 3 183.251 1.559 20 0 ADADHN CCc1ccc(CNC[C@H](C)CO)o1 83219471 491023861 /nfs/dbraw/zinc/02/38/61/491023861.db2.gz SASBLLBWXHZBIC-VIFPVBQESA-N 0 3 197.278 1.560 20 0 ADADHN C[C@@H](CO)CN[C@H](C)c1ccco1 83219053 491023866 /nfs/dbraw/zinc/02/38/66/491023866.db2.gz UHVIOXADVRGKTG-RKDXNWHRSA-N 0 3 183.251 1.559 20 0 ADADHN C[C@@H](O)CCCNCc1ccco1 86085383 491028239 /nfs/dbraw/zinc/02/82/39/491028239.db2.gz QIQPICZRZXVJFJ-SECBINFHSA-N 0 3 183.251 1.530 20 0 ADADHN Cc1ccc(F)cc1CNCCCO 83342763 491024014 /nfs/dbraw/zinc/02/40/14/491024014.db2.gz IGUQQECRFNJNFP-UHFFFAOYSA-N 0 3 197.253 1.606 20 0 ADADHN CCN[C@H](C)c1c(C)noc1C 86109636 491028250 /nfs/dbraw/zinc/02/82/50/491028250.db2.gz GBQIBRBYWRTAIN-ZCFIWIBFSA-N 0 3 168.240 1.962 20 0 ADADHN OCCNCc1cc(F)cc(F)c1 83341258 491024047 /nfs/dbraw/zinc/02/40/47/491024047.db2.gz ALYYJDYCXVLEEZ-UHFFFAOYSA-N 0 3 187.189 1.047 20 0 ADADHN Cc1ccc(F)cc1CNC[C@@H](C)O 83342759 491024096 /nfs/dbraw/zinc/02/40/96/491024096.db2.gz MPYSELWEPFMHLF-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(F)cc1CNCCO 83340822 491024102 /nfs/dbraw/zinc/02/41/02/491024102.db2.gz VPRZJEFPGWWQQR-UHFFFAOYSA-N 0 3 183.226 1.216 20 0 ADADHN Cc1ccc(F)cc1CNC[C@H](C)O 83342760 491024109 /nfs/dbraw/zinc/02/41/09/491024109.db2.gz MPYSELWEPFMHLF-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN COC[C@H](NCc1c[nH]cn1)C(C)C 83402434 491024332 /nfs/dbraw/zinc/02/43/32/491024332.db2.gz DVVIPHNMDRIUHS-JTQLQIEISA-N 0 3 197.282 1.170 20 0 ADADHN COC[C@H](NCc1cnc[nH]1)C(C)C 83402434 491024333 /nfs/dbraw/zinc/02/43/33/491024333.db2.gz DVVIPHNMDRIUHS-JTQLQIEISA-N 0 3 197.282 1.170 20 0 ADADHN COC[C@@H](NCc1c[nH]cn1)C(C)C 83402433 491024344 /nfs/dbraw/zinc/02/43/44/491024344.db2.gz DVVIPHNMDRIUHS-SNVBAGLBSA-N 0 3 197.282 1.170 20 0 ADADHN COC[C@@H](NCc1cnc[nH]1)C(C)C 83402433 491024345 /nfs/dbraw/zinc/02/43/45/491024345.db2.gz DVVIPHNMDRIUHS-SNVBAGLBSA-N 0 3 197.282 1.170 20 0 ADADHN CCCCN1CCCC[C@@H]1C(N)=O 83428522 491024369 /nfs/dbraw/zinc/02/43/69/491024369.db2.gz JXGMRAHZRFMHLB-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN CCc1ccc(CNCC(C)(C)O)o1 83461372 491024374 /nfs/dbraw/zinc/02/43/74/491024374.db2.gz CXUOKUTWQIYKMX-UHFFFAOYSA-N 0 3 197.278 1.703 20 0 ADADHN Cc1ccc(CN[C@H](CO)C(C)C)o1 86120506 491028272 /nfs/dbraw/zinc/02/82/72/491028272.db2.gz VVGKISGEEUYORA-LLVKDONJSA-N 0 3 197.278 1.695 20 0 ADADHN CCCCN1CCCC[C@H]1C(N)=O 83428523 491024442 /nfs/dbraw/zinc/02/44/42/491024442.db2.gz JXGMRAHZRFMHLB-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN CC(C)[C@@H](CO)N[C@H](C)c1ccco1 86121807 491028289 /nfs/dbraw/zinc/02/82/89/491028289.db2.gz FHYKEZVMECMMIA-NXEZZACHSA-N 0 3 197.278 1.947 20 0 ADADHN CC(C)[C@@H](CO)NCc1ccncc1 86122453 491028294 /nfs/dbraw/zinc/02/82/94/491028294.db2.gz LZCUARAZDLNFKY-LLVKDONJSA-N 0 3 194.278 1.188 20 0 ADADHN CC[C@H](O)CNCc1c(C)noc1C 86110651 491028298 /nfs/dbraw/zinc/02/82/98/491028298.db2.gz ZIOLZEFEGCIJAI-VIFPVBQESA-N 0 3 198.266 1.152 20 0 ADADHN COCCN[C@H](C)c1cn(C)nc1C 83569318 491024673 /nfs/dbraw/zinc/02/46/73/491024673.db2.gz IYYKRUUTSYVZRG-MRVPVSSYSA-N 0 3 197.282 1.026 20 0 ADADHN COCCN[C@@H](C)c1cn(C)nc1C 83569321 491024686 /nfs/dbraw/zinc/02/46/86/491024686.db2.gz IYYKRUUTSYVZRG-QMMMGPOBSA-N 0 3 197.282 1.026 20 0 ADADHN CC(C)[C@@H](CO)NCc1ccsc1 86122477 491028300 /nfs/dbraw/zinc/02/83/00/491028300.db2.gz CWJQPEHGAFONOA-SNVBAGLBSA-N 0 3 199.319 1.855 20 0 ADADHN CCCN[C@H](CC)c1ccn(C)n1 83574134 491024729 /nfs/dbraw/zinc/02/47/29/491024729.db2.gz SPVTUAJIIZLQIU-SECBINFHSA-N 0 3 181.283 1.871 20 0 ADADHN Cc1noc(C)c1CNCCCCO 86110657 491028308 /nfs/dbraw/zinc/02/83/08/491028308.db2.gz HFKNMEHKAKHBFP-UHFFFAOYSA-N 0 3 198.266 1.154 20 0 ADADHN CCCN[C@@H](CC)c1ccn(C)n1 83574132 491024824 /nfs/dbraw/zinc/02/48/24/491024824.db2.gz SPVTUAJIIZLQIU-VIFPVBQESA-N 0 3 181.283 1.871 20 0 ADADHN CC(C)[C@@H](CO)N[C@@H](C)c1ccco1 86121801 491028335 /nfs/dbraw/zinc/02/83/35/491028335.db2.gz FHYKEZVMECMMIA-VHSXEESVSA-N 0 3 197.278 1.947 20 0 ADADHN C[C@H](NCCC1CC1)c1nncn1C 83926506 491025748 /nfs/dbraw/zinc/02/57/48/491025748.db2.gz ULESDZDOGHQSCV-QMMMGPOBSA-N 0 3 194.282 1.266 20 0 ADADHN Cc1noc(C)c1[C@H](C)NCCCO 86110361 491028365 /nfs/dbraw/zinc/02/83/65/491028365.db2.gz DKTPGIGMMGFQTM-ZETCQYMHSA-N 0 3 198.266 1.324 20 0 ADADHN CCCN(CCC)C(=O)C1(N)CC1 83833761 491025213 /nfs/dbraw/zinc/02/52/13/491025213.db2.gz CHOCWHNNRDDPKY-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN Cc1cccc(CN(C)C[C@@H](C)O)n1 83825880 491025221 /nfs/dbraw/zinc/02/52/21/491025221.db2.gz FVTGWDPJSGEMRO-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN Cc1cccc(CN(C)C[C@H](C)O)n1 83825881 491025246 /nfs/dbraw/zinc/02/52/46/491025246.db2.gz FVTGWDPJSGEMRO-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN CN(C(=O)C1(N)CC1)c1ccccc1 83833728 491025329 /nfs/dbraw/zinc/02/53/29/491025329.db2.gz CHLVQVMDSTZXTJ-UHFFFAOYSA-N 0 3 190.246 1.141 20 0 ADADHN CC(C)[C@@H](CO)NCc1ccccn1 83823411 491025334 /nfs/dbraw/zinc/02/53/34/491025334.db2.gz JHZULOZRRRPYEY-LLVKDONJSA-N 0 3 194.278 1.188 20 0 ADADHN CN(C(=O)C1(N)CC1)C1CCCCC1 83833863 491025369 /nfs/dbraw/zinc/02/53/69/491025369.db2.gz WGAMGTOEZJYADC-UHFFFAOYSA-N 0 3 196.294 1.269 20 0 ADADHN C[C@H](NCC1CCC1)c1nncn1C 83838646 491025371 /nfs/dbraw/zinc/02/53/71/491025371.db2.gz HVSMMBCTJVZWMZ-QMMMGPOBSA-N 0 3 194.282 1.266 20 0 ADADHN Cc1noc(C)c1[C@@H](C)NCCCO 86110359 491028399 /nfs/dbraw/zinc/02/83/99/491028399.db2.gz DKTPGIGMMGFQTM-SSDOTTSWSA-N 0 3 198.266 1.324 20 0 ADADHN CCCCN(CC)C(=O)C1(N)CC1 83833852 491025389 /nfs/dbraw/zinc/02/53/89/491025389.db2.gz OSVBDGGKJCEDRV-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN NC1(C(=O)Nc2cccc(F)c2)CC1 83833881 491025429 /nfs/dbraw/zinc/02/54/29/491025429.db2.gz HKINYTQWFCGJAQ-UHFFFAOYSA-N 0 3 194.209 1.256 20 0 ADADHN CC(C)[C@@H](CO)NCc1ccco1 86121172 491028401 /nfs/dbraw/zinc/02/84/01/491028401.db2.gz HWLDLODHURBPDL-SNVBAGLBSA-N 0 3 183.251 1.386 20 0 ADADHN C[C@@H](NCC1CCC1)c1nncn1C 83838648 491025458 /nfs/dbraw/zinc/02/54/58/491025458.db2.gz HVSMMBCTJVZWMZ-MRVPVSSYSA-N 0 3 194.282 1.266 20 0 ADADHN C[C@H](NCCC1CC1)c1nccn1C 83893485 491025553 /nfs/dbraw/zinc/02/55/53/491025553.db2.gz DRZGCQVVFFHHGG-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN C[C@@H](NCCC1CC1)c1nccn1C 83893486 491025559 /nfs/dbraw/zinc/02/55/59/491025559.db2.gz DRZGCQVVFFHHGG-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN C[C@@H](NCCC1CC1)c1cnccn1 83893610 491025616 /nfs/dbraw/zinc/02/56/16/491025616.db2.gz JPKXUHIVFPCXEK-SECBINFHSA-N 0 3 191.278 1.927 20 0 ADADHN C[C@H](NCCC1CC1)c1cnccn1 83893609 491025671 /nfs/dbraw/zinc/02/56/71/491025671.db2.gz JPKXUHIVFPCXEK-VIFPVBQESA-N 0 3 191.278 1.927 20 0 ADADHN C[C@@H](NCCC1CC1)c1nncn1C 83926507 491025691 /nfs/dbraw/zinc/02/56/91/491025691.db2.gz ULESDZDOGHQSCV-MRVPVSSYSA-N 0 3 194.282 1.266 20 0 ADADHN CCC[C@@H](CC)NCc1ncnn1C 83970959 491025915 /nfs/dbraw/zinc/02/59/15/491025915.db2.gz FZOQPDINIBFPBP-SECBINFHSA-N 0 3 196.298 1.483 20 0 ADADHN CC[C@H](NCc1ncnn1C)C(C)C 83970785 491025935 /nfs/dbraw/zinc/02/59/35/491025935.db2.gz XDOXUHDDZFSUBS-VIFPVBQESA-N 0 3 196.298 1.339 20 0 ADADHN CCC[C@H](C)NCc1ncnn1CC 83977334 491025948 /nfs/dbraw/zinc/02/59/48/491025948.db2.gz TYZMXACTGSMLPA-VIFPVBQESA-N 0 3 196.298 1.576 20 0 ADADHN CCn1ncnc1CNC(C)(C)CC 83977249 491025953 /nfs/dbraw/zinc/02/59/53/491025953.db2.gz MKYRAKVUGWBPKX-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CC[C@H](C)CNCc1ncnn1CC 83978125 491025960 /nfs/dbraw/zinc/02/59/60/491025960.db2.gz YTXCHGQKMCCHFU-VIFPVBQESA-N 0 3 196.298 1.434 20 0 ADADHN CCC[C@H](CC)NCc1ncnn1C 83970961 491025976 /nfs/dbraw/zinc/02/59/76/491025976.db2.gz FZOQPDINIBFPBP-VIFPVBQESA-N 0 3 196.298 1.483 20 0 ADADHN CCn1ncnc1CN[C@@H](C)C(C)C 83977498 491025986 /nfs/dbraw/zinc/02/59/86/491025986.db2.gz YGUSSKOIWCKKBS-VIFPVBQESA-N 0 3 196.298 1.432 20 0 ADADHN CC[C@H](C)[C@H](C)NCc1ncnn1C 83970758 491026002 /nfs/dbraw/zinc/02/60/02/491026002.db2.gz XWRDIHAVGIWXRT-IUCAKERBSA-N 0 3 196.298 1.339 20 0 ADADHN CCC[C@H](C)NCc1ncnn1C 83970316 491026006 /nfs/dbraw/zinc/02/60/06/491026006.db2.gz DIJCJOYRZYCPQO-QMMMGPOBSA-N 0 3 182.271 1.093 20 0 ADADHN CC[C@@H](C)[C@H](C)NCc1ncnn1C 83970757 491026008 /nfs/dbraw/zinc/02/60/08/491026008.db2.gz XWRDIHAVGIWXRT-BDAKNGLRSA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@@H](C)[C@@H](C)NCc1ncnn1C 83970753 491026014 /nfs/dbraw/zinc/02/60/14/491026014.db2.gz XWRDIHAVGIWXRT-RKDXNWHRSA-N 0 3 196.298 1.339 20 0 ADADHN CCC(CC)NCc1ncnn1CC 83977292 491026021 /nfs/dbraw/zinc/02/60/21/491026021.db2.gz FYPOKXFMQBGQAA-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN Cn1ncnc1CNCC1CCCC1 83970547 491026026 /nfs/dbraw/zinc/02/60/26/491026026.db2.gz JXSKBRPVOLOTLZ-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN CCC[C@@H](C)NCc1ncnn1C 83970315 491026028 /nfs/dbraw/zinc/02/60/28/491026028.db2.gz DIJCJOYRZYCPQO-MRVPVSSYSA-N 0 3 182.271 1.093 20 0 ADADHN CC[C@@H](NCc1ncnn1C)C(C)C 83970787 491026030 /nfs/dbraw/zinc/02/60/30/491026030.db2.gz XDOXUHDDZFSUBS-SECBINFHSA-N 0 3 196.298 1.339 20 0 ADADHN CCC(CC)NCc1ncnn1C 83970291 491026032 /nfs/dbraw/zinc/02/60/32/491026032.db2.gz HFGLBHJUMYCAQD-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN CC[C@H](C)[C@@H](C)NCc1ncnn1C 83970756 491026045 /nfs/dbraw/zinc/02/60/45/491026045.db2.gz XWRDIHAVGIWXRT-DTWKUNHWSA-N 0 3 196.298 1.339 20 0 ADADHN CCC(C)(C)NCc1ncnn1C 83970285 491026061 /nfs/dbraw/zinc/02/60/61/491026061.db2.gz BODOXUQGUJEORN-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN CCC[C@@H](C)NCc1ncnn1CC 83977332 491026072 /nfs/dbraw/zinc/02/60/72/491026072.db2.gz TYZMXACTGSMLPA-SECBINFHSA-N 0 3 196.298 1.576 20 0 ADADHN CCn1ncnc1CN[C@H](C)C(C)C 83977501 491026087 /nfs/dbraw/zinc/02/60/87/491026087.db2.gz YGUSSKOIWCKKBS-SECBINFHSA-N 0 3 196.298 1.432 20 0 ADADHN CC[C@@H](C)CNCc1ncnn1CC 83978123 491026089 /nfs/dbraw/zinc/02/60/89/491026089.db2.gz YTXCHGQKMCCHFU-SECBINFHSA-N 0 3 196.298 1.434 20 0 ADADHN CN(CCC(C)(C)O)Cc1ccco1 86194591 491028496 /nfs/dbraw/zinc/02/84/96/491028496.db2.gz ASNCUNUNOVZVBI-UHFFFAOYSA-N 0 3 197.278 1.872 20 0 ADADHN CCN(CCO)Cc1ccc(O)cc1 84857672 491026562 /nfs/dbraw/zinc/02/65/62/491026562.db2.gz ASEQJYHMCZCBCM-UHFFFAOYSA-N 0 3 195.262 1.206 20 0 ADADHN CCN(CCO)Cc1cccc(O)c1 84857691 491026574 /nfs/dbraw/zinc/02/65/74/491026574.db2.gz LNVJUAMNACTCCR-UHFFFAOYSA-N 0 3 195.262 1.206 20 0 ADADHN CN(Cc1ccco1)CC1CC(O)C1 84454009 491026593 /nfs/dbraw/zinc/02/65/93/491026593.db2.gz QUOQLBUVSPXXIH-UHFFFAOYSA-N 0 3 195.262 1.482 20 0 ADADHN CC[C@H](C)CN1CC(C)(O)C1 84356741 491026597 /nfs/dbraw/zinc/02/65/97/491026597.db2.gz RGNBQCWQMDKADQ-QMMMGPOBSA-N 0 3 157.257 1.099 20 0 ADADHN CC[C@@H](C)CN1CC(C)(O)C1 84356738 491026652 /nfs/dbraw/zinc/02/66/52/491026652.db2.gz RGNBQCWQMDKADQ-MRVPVSSYSA-N 0 3 157.257 1.099 20 0 ADADHN C[C@@H](CCO)CNCc1ccccn1 85128156 491026968 /nfs/dbraw/zinc/02/69/68/491026968.db2.gz ZHVBGNSVAJKMCN-JTQLQIEISA-N 0 3 194.278 1.190 20 0 ADADHN C[C@H](CCO)CNCc1ccccn1 85128157 491026973 /nfs/dbraw/zinc/02/69/73/491026973.db2.gz ZHVBGNSVAJKMCN-SNVBAGLBSA-N 0 3 194.278 1.190 20 0 ADADHN C[C@@H](CCO)CN[C@@H](C)c1ccco1 85128684 491027128 /nfs/dbraw/zinc/02/71/28/491027128.db2.gz VYOGMTQLLKRXQD-UWVGGRQHSA-N 0 3 197.278 1.949 20 0 ADADHN CC(C)(O)CCNCc1ccccn1 86235113 491028627 /nfs/dbraw/zinc/02/86/27/491028627.db2.gz BUOVBDQCBPGEBT-UHFFFAOYSA-N 0 3 194.278 1.332 20 0 ADADHN C[C@@H](CCO)CN[C@H](C)c1ccco1 85128688 491027150 /nfs/dbraw/zinc/02/71/50/491027150.db2.gz VYOGMTQLLKRXQD-VHSXEESVSA-N 0 3 197.278 1.949 20 0 ADADHN C[C@H](NC[C@H](C)CCO)c1ccco1 85128685 491027156 /nfs/dbraw/zinc/02/71/56/491027156.db2.gz VYOGMTQLLKRXQD-ZJUUUORDSA-N 0 3 197.278 1.949 20 0 ADADHN C[C@H](CCO)CN[C@H](C)c1ccco1 85128689 491027165 /nfs/dbraw/zinc/02/71/65/491027165.db2.gz VYOGMTQLLKRXQD-NXEZZACHSA-N 0 3 197.278 1.949 20 0 ADADHN CC(C)(O)CCNCc1cccnc1 86235175 491028631 /nfs/dbraw/zinc/02/86/31/491028631.db2.gz ALKWMYBECANGHZ-UHFFFAOYSA-N 0 3 194.278 1.332 20 0 ADADHN CCn1cncc1CN[C@@H]1CC1(C)C 85183848 491027215 /nfs/dbraw/zinc/02/72/15/491027215.db2.gz MQABFCUBXVUHGZ-SNVBAGLBSA-N 0 3 193.294 1.791 20 0 ADADHN CCn1cncc1CNC(C)C 85182930 491027266 /nfs/dbraw/zinc/02/72/66/491027266.db2.gz WOKQFRPJJQNLAR-UHFFFAOYSA-N 0 3 167.256 1.401 20 0 ADADHN CCCNCc1cncn1CC 85182914 491027277 /nfs/dbraw/zinc/02/72/77/491027277.db2.gz SJKFOEBUKFFKCU-UHFFFAOYSA-N 0 3 167.256 1.403 20 0 ADADHN CCn1cncc1CN[C@H]1CC1(C)C 85183850 491027282 /nfs/dbraw/zinc/02/72/82/491027282.db2.gz MQABFCUBXVUHGZ-JTQLQIEISA-N 0 3 193.294 1.791 20 0 ADADHN CC(C)(O)CCNCc1ccncc1 86235177 491028647 /nfs/dbraw/zinc/02/86/47/491028647.db2.gz MEYBCZCNWVICDY-UHFFFAOYSA-N 0 3 194.278 1.332 20 0 ADADHN CC(C)CNCc1cn(C(C)C)nn1 85273556 491027480 /nfs/dbraw/zinc/02/74/80/491027480.db2.gz JZSQPCOMHXGCAK-UHFFFAOYSA-N 0 3 196.298 1.605 20 0 ADADHN CN(CCC(C)(C)O)Cc1ccoc1 86234057 491028675 /nfs/dbraw/zinc/02/86/75/491028675.db2.gz VFHQAENLQHRBLY-UHFFFAOYSA-N 0 3 197.278 1.872 20 0 ADADHN CC(C)n1cc(CNC(C)(C)C)nn1 85273490 491027526 /nfs/dbraw/zinc/02/75/26/491027526.db2.gz PSJQRTWINPLVKM-UHFFFAOYSA-N 0 3 196.298 1.747 20 0 ADADHN CC(C)(O)CCNCc1ccco1 86235159 491028685 /nfs/dbraw/zinc/02/86/85/491028685.db2.gz RJXLJXZAUZIIQQ-UHFFFAOYSA-N 0 3 183.251 1.530 20 0 ADADHN Cc1ccc(CNCCC(C)(C)O)o1 86235866 491028708 /nfs/dbraw/zinc/02/87/08/491028708.db2.gz NRWGSCQCIBBETR-UHFFFAOYSA-N 0 3 197.278 1.839 20 0 ADADHN c1cc(CNC[C@@H]2CCCCO2)c[nH]1 85579604 491027776 /nfs/dbraw/zinc/02/77/76/491027776.db2.gz FDXOGOOJAJKNJW-NSHDSACASA-N 0 3 194.278 1.673 20 0 ADADHN CCOCCNCc1cc[nH]c1 85579072 491027788 /nfs/dbraw/zinc/02/77/88/491027788.db2.gz GGBXXPYTIAGFCS-UHFFFAOYSA-N 0 3 168.240 1.141 20 0 ADADHN COC[C@@H](C)NCc1cc[nH]c1 85578666 491027798 /nfs/dbraw/zinc/02/77/98/491027798.db2.gz XIVYAMNRMQTEAU-MRVPVSSYSA-N 0 3 168.240 1.139 20 0 ADADHN c1cn(CCNCc2cc[nH]c2)cn1 85579512 491027811 /nfs/dbraw/zinc/02/78/11/491027811.db2.gz BBWHAGPZJOXIAZ-UHFFFAOYSA-N 0 3 190.250 1.001 20 0 ADADHN CCCCOCCNCc1cc[nH]c1 85579476 491027839 /nfs/dbraw/zinc/02/78/39/491027839.db2.gz TVVZYMDCGCEGIU-UHFFFAOYSA-N 0 3 196.294 1.921 20 0 ADADHN c1cnn(CCNCc2cc[nH]c2)c1 85579520 491027853 /nfs/dbraw/zinc/02/78/53/491027853.db2.gz GHQHUUHETBCTKZ-UHFFFAOYSA-N 0 3 190.250 1.001 20 0 ADADHN c1cncc(CNCc2cc[nH]c2)c1 85578872 491027863 /nfs/dbraw/zinc/02/78/63/491027863.db2.gz KSXSNLYAIMYLFI-UHFFFAOYSA-N 0 3 187.246 1.700 20 0 ADADHN c1cc(CNC[C@H]2CCCCO2)c[nH]1 85579607 491027866 /nfs/dbraw/zinc/02/78/66/491027866.db2.gz FDXOGOOJAJKNJW-LLVKDONJSA-N 0 3 194.278 1.673 20 0 ADADHN CCOC[C@@H](C)NCc1ccn(C)c1 85591163 491027894 /nfs/dbraw/zinc/02/78/94/491027894.db2.gz OUKWGHZFXYQPPK-SNVBAGLBSA-N 0 3 196.294 1.540 20 0 ADADHN COC[C@@H](C)NCc1ccn(C)c1 85589826 491027908 /nfs/dbraw/zinc/02/79/08/491027908.db2.gz JYRDAEWBANVYIN-SECBINFHSA-N 0 3 182.267 1.150 20 0 ADADHN CCOC[C@H](C)NCc1ccn(C)c1 85591167 491027919 /nfs/dbraw/zinc/02/79/19/491027919.db2.gz OUKWGHZFXYQPPK-JTQLQIEISA-N 0 3 196.294 1.540 20 0 ADADHN CCOCCNCc1ccn(C)c1 85590589 491027977 /nfs/dbraw/zinc/02/79/77/491027977.db2.gz CIAAZIYKMOPCKS-UHFFFAOYSA-N 0 3 182.267 1.151 20 0 ADADHN OCCN[C@H]1CCCc2cccnc21 85789522 491028084 /nfs/dbraw/zinc/02/80/84/491028084.db2.gz YOMJVHLIEPTIEF-JTQLQIEISA-N 0 3 192.262 1.041 20 0 ADADHN CCCNCc1cc(C(N)=O)cs1 86573525 491029094 /nfs/dbraw/zinc/02/90/94/491029094.db2.gz AHFRESRPADQJFQ-UHFFFAOYSA-N 0 3 198.291 1.347 20 0 ADADHN CC(C)(O)CCNCc1ccsc1 86235943 491028776 /nfs/dbraw/zinc/02/87/76/491028776.db2.gz HEVPROVFSXGPGA-UHFFFAOYSA-N 0 3 199.319 1.999 20 0 ADADHN CC[C@@H](C)CN(CC)[C@@H](C)C(N)=O 86438482 491028914 /nfs/dbraw/zinc/02/89/14/491028914.db2.gz BJYQHICMWCEDMK-BDAKNGLRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C)CN(CC)[C@@H](C)C(N)=O 86438483 491028999 /nfs/dbraw/zinc/02/89/99/491028999.db2.gz BJYQHICMWCEDMK-IUCAKERBSA-N 0 3 186.299 1.228 20 0 ADADHN CC(C)NCc1cc(C(N)=O)cs1 86573535 491029057 /nfs/dbraw/zinc/02/90/57/491029057.db2.gz OWVGFFGWQBMPOS-UHFFFAOYSA-N 0 3 198.291 1.345 20 0 ADADHN C[C@@H](NC[C@@H](C)N(C)C)c1ccoc1 87289949 491030492 /nfs/dbraw/zinc/03/04/92/491030492.db2.gz BPDFIGPYLDJKCC-NXEZZACHSA-N 0 3 196.294 1.880 20 0 ADADHN NC(=O)c1csc(CNC2CC2)c1 86573517 491029178 /nfs/dbraw/zinc/02/91/78/491029178.db2.gz UFAXZFVOPMNUTO-UHFFFAOYSA-N 0 3 196.275 1.099 20 0 ADADHN CC(C)CN(C)Cc1cnc(N)s1 86765722 491029189 /nfs/dbraw/zinc/02/91/89/491029189.db2.gz ZKVSIUZUMKWUHG-UHFFFAOYSA-N 0 3 199.323 1.813 20 0 ADADHN CCCCN(C)Cc1cnc(N)s1 86765664 491029208 /nfs/dbraw/zinc/02/92/08/491029208.db2.gz JTSBPWCSEWEYEJ-UHFFFAOYSA-N 0 3 199.323 1.957 20 0 ADADHN CCN(Cc1cnc(N)s1)C1CC1 86765685 491029236 /nfs/dbraw/zinc/02/92/36/491029236.db2.gz AUKUXTJVNXXMKO-UHFFFAOYSA-N 0 3 197.307 1.710 20 0 ADADHN CC[C@H](C)N(C)Cc1cnc(N)s1 86765734 491029250 /nfs/dbraw/zinc/02/92/50/491029250.db2.gz RFURGSLYDLPOAC-ZETCQYMHSA-N 0 3 199.323 1.956 20 0 ADADHN CCCN(C)Cc1cnc(N)s1 86765750 491029267 /nfs/dbraw/zinc/02/92/67/491029267.db2.gz NILGMXOAANNCIS-UHFFFAOYSA-N 0 3 185.296 1.567 20 0 ADADHN CC[C@@H](C)N(C)Cc1cnc(N)s1 86765732 491029275 /nfs/dbraw/zinc/02/92/75/491029275.db2.gz RFURGSLYDLPOAC-SSDOTTSWSA-N 0 3 199.323 1.956 20 0 ADADHN CCCN(CC)Cc1cnc(N)s1 86765711 491029307 /nfs/dbraw/zinc/02/93/07/491029307.db2.gz RYIGCSAKWSCKPX-UHFFFAOYSA-N 0 3 199.323 1.957 20 0 ADADHN CN(C)CCNc1ccncc1Cl 86833004 491029470 /nfs/dbraw/zinc/02/94/70/491029470.db2.gz UKKGTFLJFJKHLO-UHFFFAOYSA-N 0 3 199.685 1.709 20 0 ADADHN OCCNCc1ccccc1C1CC1 86896515 491029738 /nfs/dbraw/zinc/02/97/38/491029738.db2.gz UUFLSVVRRXQZQJ-UHFFFAOYSA-N 0 3 191.274 1.646 20 0 ADADHN CC1(CNCc2cncs2)COC1 87197402 491029989 /nfs/dbraw/zinc/02/99/89/491029989.db2.gz VIKDVFSDCKQAJI-UHFFFAOYSA-N 0 3 198.291 1.269 20 0 ADADHN C[C@@]1(CNCc2ccco2)CCCO1 87230039 491029995 /nfs/dbraw/zinc/02/99/95/491029995.db2.gz RCBIXKBJTHXYAR-NSHDSACASA-N 0 3 195.262 1.938 20 0 ADADHN c1cc(CNCC2CCOCC2)no1 87198188 491030012 /nfs/dbraw/zinc/03/00/12/491030012.db2.gz YAGHPFKPHKBBNA-UHFFFAOYSA-N 0 3 196.250 1.191 20 0 ADADHN C[C@]1(CNCc2ccco2)CCCO1 87230038 491030037 /nfs/dbraw/zinc/03/00/37/491030037.db2.gz RCBIXKBJTHXYAR-LLVKDONJSA-N 0 3 195.262 1.938 20 0 ADADHN CCC1(CC)CCN(C(=O)CNC)C1 87253680 491030073 /nfs/dbraw/zinc/03/00/73/491030073.db2.gz SVWSVAVVYRPPHI-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)NCC(=O)N1CCC(C)(C)C1 87253550 491030182 /nfs/dbraw/zinc/03/01/82/491030182.db2.gz CJQCLNIIGFLRPZ-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN COCCN[C@H](C)c1ccoc1 87289383 491030229 /nfs/dbraw/zinc/03/02/29/491030229.db2.gz QKYCWWLZIWGBJY-MRVPVSSYSA-N 0 3 169.224 1.577 20 0 ADADHN CCC1(CC)CCN([C@@H](C)C(N)=O)C1 87257847 491030246 /nfs/dbraw/zinc/03/02/46/491030246.db2.gz VAZXORCAMXAJGJ-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CC(=O)CN1CCC(C)(C)C1 87256898 491030256 /nfs/dbraw/zinc/03/02/56/491030256.db2.gz UGCZKZSMTNOPMG-UHFFFAOYSA-N 0 3 155.241 1.307 20 0 ADADHN CCC1(CC)CCN([C@H](C)C(N)=O)C1 87257849 491030259 /nfs/dbraw/zinc/03/02/59/491030259.db2.gz VAZXORCAMXAJGJ-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](NCCN(C)C)c1ccoc1 87285558 491030262 /nfs/dbraw/zinc/03/02/62/491030262.db2.gz QDFFXXUOKKOIFP-SECBINFHSA-N 0 3 182.267 1.492 20 0 ADADHN COCCN[C@@H](C)c1ccoc1 87289382 491030305 /nfs/dbraw/zinc/03/03/05/491030305.db2.gz QKYCWWLZIWGBJY-QMMMGPOBSA-N 0 3 169.224 1.577 20 0 ADADHN C[C@H](NCCN(C)C)c1ccoc1 87285557 491030349 /nfs/dbraw/zinc/03/03/49/491030349.db2.gz QDFFXXUOKKOIFP-VIFPVBQESA-N 0 3 182.267 1.492 20 0 ADADHN CCOCCN[C@H](C)c1ccoc1 87289779 491030379 /nfs/dbraw/zinc/03/03/79/491030379.db2.gz ADLDHXOUQFFWKE-SECBINFHSA-N 0 3 183.251 1.967 20 0 ADADHN CC[C@@H](CO)N[C@@H](C)c1ccoc1 87289634 491030386 /nfs/dbraw/zinc/03/03/86/491030386.db2.gz HLZPFCPLBRMAKD-WPRPVWTQSA-N 0 3 183.251 1.701 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1ccoc1 87289425 491030388 /nfs/dbraw/zinc/03/03/88/491030388.db2.gz YLLUQMWTKJSDLT-RKDXNWHRSA-N 0 3 183.251 1.965 20 0 ADADHN CC[C@H](CO)N[C@H](C)c1ccoc1 87289637 491030396 /nfs/dbraw/zinc/03/03/96/491030396.db2.gz HLZPFCPLBRMAKD-PSASIEDQSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](NCCCO)c1ccoc1 87289627 491030402 /nfs/dbraw/zinc/03/04/02/491030402.db2.gz MHBFIFNDYAQQFL-MRVPVSSYSA-N 0 3 169.224 1.313 20 0 ADADHN C[C@H](NCCCO)c1ccoc1 87289626 491030410 /nfs/dbraw/zinc/03/04/10/491030410.db2.gz MHBFIFNDYAQQFL-QMMMGPOBSA-N 0 3 169.224 1.313 20 0 ADADHN CCOCCN[C@@H](C)c1ccoc1 87289778 491030415 /nfs/dbraw/zinc/03/04/15/491030415.db2.gz ADLDHXOUQFFWKE-VIFPVBQESA-N 0 3 183.251 1.967 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1ccoc1 87289726 491030422 /nfs/dbraw/zinc/03/04/22/491030422.db2.gz FPBSEHYNTKOGKI-YUMQZZPRSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1ccoc1 87289722 491030424 /nfs/dbraw/zinc/03/04/24/491030424.db2.gz SDYVNGFILPGJIB-YUMQZZPRSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@H](NC[C@H](C)N(C)C)c1ccoc1 87289946 491030429 /nfs/dbraw/zinc/03/04/29/491030429.db2.gz BPDFIGPYLDJKCC-UWVGGRQHSA-N 0 3 196.294 1.880 20 0 ADADHN COCCCN[C@H](C)c1ccoc1 87289611 491030431 /nfs/dbraw/zinc/03/04/31/491030431.db2.gz RWVNJZJSZSWICQ-SECBINFHSA-N 0 3 183.251 1.967 20 0 ADADHN C[C@H](NC[C@@H](C)N(C)C)c1ccoc1 87289947 491030436 /nfs/dbraw/zinc/03/04/36/491030436.db2.gz BPDFIGPYLDJKCC-ZJUUUORDSA-N 0 3 196.294 1.880 20 0 ADADHN C[C@H](CO)N[C@H](C)c1ccoc1 87289729 491030439 /nfs/dbraw/zinc/03/04/39/491030439.db2.gz FPBSEHYNTKOGKI-HTQZYQBOSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1ccoc1 87289725 491030456 /nfs/dbraw/zinc/03/04/56/491030456.db2.gz SDYVNGFILPGJIB-HTQZYQBOSA-N 0 3 169.224 1.311 20 0 ADADHN CC[C@@H](CO)N[C@H](C)c1ccoc1 87289636 491030468 /nfs/dbraw/zinc/03/04/68/491030468.db2.gz HLZPFCPLBRMAKD-SCZZXKLOSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1ccoc1 87289728 491030471 /nfs/dbraw/zinc/03/04/71/491030471.db2.gz FPBSEHYNTKOGKI-JGVFFNPUSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@H](N[C@H](C)CO)c1ccoc1 87289727 491030501 /nfs/dbraw/zinc/03/05/01/491030501.db2.gz FPBSEHYNTKOGKI-SFYZADRCSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@@H](CN[C@H](C)c1ccoc1)N(C)C 87289948 491030513 /nfs/dbraw/zinc/03/05/13/491030513.db2.gz BPDFIGPYLDJKCC-VHSXEESVSA-N 0 3 196.294 1.880 20 0 ADADHN COCCCN[C@@H](C)c1ccoc1 87289610 491030518 /nfs/dbraw/zinc/03/05/18/491030518.db2.gz RWVNJZJSZSWICQ-VIFPVBQESA-N 0 3 183.251 1.967 20 0 ADADHN C[C@H](O)CN[C@H](C)c1ccoc1 87289724 491030521 /nfs/dbraw/zinc/03/05/21/491030521.db2.gz SDYVNGFILPGJIB-JGVFFNPUSA-N 0 3 169.224 1.311 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1ccoc1 87289423 491030524 /nfs/dbraw/zinc/03/05/24/491030524.db2.gz YLLUQMWTKJSDLT-BDAKNGLRSA-N 0 3 183.251 1.965 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1ccoc1 87289723 491030530 /nfs/dbraw/zinc/03/05/30/491030530.db2.gz SDYVNGFILPGJIB-SFYZADRCSA-N 0 3 169.224 1.311 20 0 ADADHN CC[C@H](CO)N[C@@H](C)c1ccoc1 87289635 491030532 /nfs/dbraw/zinc/03/05/32/491030532.db2.gz HLZPFCPLBRMAKD-WCBMZHEXSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](NCC(C)(C)O)c1ccoc1 87290400 491030541 /nfs/dbraw/zinc/03/05/41/491030541.db2.gz GZCREKFFWANBSB-MRVPVSSYSA-N 0 3 183.251 1.701 20 0 ADADHN CC(C)[C@@H](CO)N[C@@H](C)c1ccoc1 87290499 491030544 /nfs/dbraw/zinc/03/05/44/491030544.db2.gz MCLBUWJUUIAZFU-GXSJLCMTSA-N 0 3 197.278 1.947 20 0 ADADHN C[C@H](CO)CN[C@H](C)c1ccoc1 87290393 491030548 /nfs/dbraw/zinc/03/05/48/491030548.db2.gz NSPFTGBLYYQYLV-DTWKUNHWSA-N 0 3 183.251 1.559 20 0 ADADHN C[C@H](CO)CN[C@@H](C)c1ccoc1 87290391 491030562 /nfs/dbraw/zinc/03/05/62/491030562.db2.gz NSPFTGBLYYQYLV-IUCAKERBSA-N 0 3 183.251 1.559 20 0 ADADHN C[C@@H](NCC1(C)COC1)c1ccoc1 87290530 491030567 /nfs/dbraw/zinc/03/05/67/491030567.db2.gz GSXZMZRFNZUHHH-SECBINFHSA-N 0 3 195.262 1.967 20 0 ADADHN C[C@H](NC[C@@H](C)CO)c1ccoc1 87290392 491030575 /nfs/dbraw/zinc/03/05/75/491030575.db2.gz NSPFTGBLYYQYLV-BDAKNGLRSA-N 0 3 183.251 1.559 20 0 ADADHN CC(C)[C@@H](CO)N[C@H](C)c1ccoc1 87290501 491030577 /nfs/dbraw/zinc/03/05/77/491030577.db2.gz MCLBUWJUUIAZFU-MWLCHTKSSA-N 0 3 197.278 1.947 20 0 ADADHN C[C@H](O)CCN[C@H](C)c1ccoc1 87290381 491030583 /nfs/dbraw/zinc/03/05/83/491030583.db2.gz HBEABJOMZSZDHJ-DTWKUNHWSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](NC[C@H](C)CCO)c1ccoc1 87290464 491030605 /nfs/dbraw/zinc/03/06/05/491030605.db2.gz ANXPIMNWWGRRMI-ZJUUUORDSA-N 0 3 197.278 1.949 20 0 ADADHN C[C@H](NCC1(C)COC1)c1ccoc1 87290529 491030608 /nfs/dbraw/zinc/03/06/08/491030608.db2.gz GSXZMZRFNZUHHH-VIFPVBQESA-N 0 3 195.262 1.967 20 0 ADADHN C[C@H](CCO)CN[C@H](C)c1ccoc1 87290466 491030613 /nfs/dbraw/zinc/03/06/13/491030613.db2.gz ANXPIMNWWGRRMI-NXEZZACHSA-N 0 3 197.278 1.949 20 0 ADADHN C[C@@H](CCO)CN[C@H](C)c1ccoc1 87290465 491030619 /nfs/dbraw/zinc/03/06/19/491030619.db2.gz ANXPIMNWWGRRMI-VHSXEESVSA-N 0 3 197.278 1.949 20 0 ADADHN C[C@@H](CO)CN[C@H](C)c1ccoc1 87290394 491030625 /nfs/dbraw/zinc/03/06/25/491030625.db2.gz NSPFTGBLYYQYLV-RKDXNWHRSA-N 0 3 183.251 1.559 20 0 ADADHN C[C@@H](CCO)CN[C@@H](C)c1ccoc1 87290463 491030630 /nfs/dbraw/zinc/03/06/30/491030630.db2.gz ANXPIMNWWGRRMI-UWVGGRQHSA-N 0 3 197.278 1.949 20 0 ADADHN C[C@H](NCC(C)(C)O)c1ccoc1 87290399 491030633 /nfs/dbraw/zinc/03/06/33/491030633.db2.gz GZCREKFFWANBSB-QMMMGPOBSA-N 0 3 183.251 1.701 20 0 ADADHN Cc1ccsc1CN[C@H]1CCOC1 87308535 491030646 /nfs/dbraw/zinc/03/06/46/491030646.db2.gz PVSRPSSDBWOQLS-VIFPVBQESA-N 0 3 197.303 1.935 20 0 ADADHN C[C@H](O)CCN[C@@H](C)c1ccoc1 87290379 491030650 /nfs/dbraw/zinc/03/06/50/491030650.db2.gz HBEABJOMZSZDHJ-IUCAKERBSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@H](CCO)CNCc1ccco1 87363068 491030869 /nfs/dbraw/zinc/03/08/69/491030869.db2.gz LUSWNZXFUMPHBI-SNVBAGLBSA-N 0 3 197.278 1.778 20 0 ADADHN CC[C@@H](CCO)CNCc1ccco1 87363066 491030877 /nfs/dbraw/zinc/03/08/77/491030877.db2.gz LUSWNZXFUMPHBI-JTQLQIEISA-N 0 3 197.278 1.778 20 0 ADADHN COC[C@H](NCc1ccco1)C1CC1 87476703 491031127 /nfs/dbraw/zinc/03/11/27/491031127.db2.gz STFLPNTUSMOTNJ-NSHDSACASA-N 0 3 195.262 1.794 20 0 ADADHN COC[C@@H](NCc1ccco1)C1CC1 87476707 491031247 /nfs/dbraw/zinc/03/12/47/491031247.db2.gz STFLPNTUSMOTNJ-LLVKDONJSA-N 0 3 195.262 1.794 20 0 ADADHN C[C@@H](CN(C)C)NC(=O)C(C)(C)C 130749772 491034296 /nfs/dbraw/zinc/03/42/96/491034296.db2.gz RPJVZUSSQURICW-QMMMGPOBSA-N 0 3 186.299 1.099 20 0 ADADHN OCC1(NCCF)CCCCC1 87775098 491032078 /nfs/dbraw/zinc/03/20/78/491032078.db2.gz PUOIIYBOMSVEHB-UHFFFAOYSA-N 0 3 175.247 1.241 20 0 ADADHN COC[C@@H](C)NCc1ccc(C)cn1 87782038 491032190 /nfs/dbraw/zinc/03/21/90/491032190.db2.gz JBNOKVFBZPFDEW-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN OCCNCc1coc2ccccc12 87780740 491032261 /nfs/dbraw/zinc/03/22/61/491032261.db2.gz WWNHCOMIPPKUKH-UHFFFAOYSA-N 0 3 191.230 1.515 20 0 ADADHN Cc1ccc(CNCC[C@H](C)O)nc1 87782526 491032268 /nfs/dbraw/zinc/03/22/68/491032268.db2.gz HRDXEVDKXMEBSW-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN C[C@@H](N[C@H]1CCOC1)c1ccoc1 87783242 491032276 /nfs/dbraw/zinc/03/22/76/491032276.db2.gz MRPDIEZRIPGTTO-SCZZXKLOSA-N 0 3 181.235 1.719 20 0 ADADHN CC(C)n1cc(CNCC2CC2)nn1 130782358 491034346 /nfs/dbraw/zinc/03/43/46/491034346.db2.gz PXNKOBXNNKTZMX-UHFFFAOYSA-N 0 3 194.282 1.359 20 0 ADADHN CCOCCNCc1ccc(C)cn1 87782248 491032306 /nfs/dbraw/zinc/03/23/06/491032306.db2.gz WPZQCBGWJPJXGO-UHFFFAOYSA-N 0 3 194.278 1.516 20 0 ADADHN CC[C@@H](CO)NCc1ccc(C)cn1 87782082 491032313 /nfs/dbraw/zinc/03/23/13/491032313.db2.gz HMGQAISJHFJMBQ-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN Cc1ccc(CNCC(C)(C)O)nc1 87782486 491032315 /nfs/dbraw/zinc/03/23/15/491032315.db2.gz CHWMPZORFYMOFX-UHFFFAOYSA-N 0 3 194.278 1.251 20 0 ADADHN Cc1ccc(CNC[C@@H](C)CO)nc1 87782301 491032319 /nfs/dbraw/zinc/03/23/19/491032319.db2.gz BADNHEVDBAUSLK-SNVBAGLBSA-N 0 3 194.278 1.108 20 0 ADADHN COCCNCc1ccc(C)cn1 87782097 491032326 /nfs/dbraw/zinc/03/23/26/491032326.db2.gz MNAKJPSCYLEHMM-UHFFFAOYSA-N 0 3 180.251 1.126 20 0 ADADHN COCCCNCc1ccc(C)cn1 87782077 491032338 /nfs/dbraw/zinc/03/23/38/491032338.db2.gz VMEPHUKPHHBDQT-UHFFFAOYSA-N 0 3 194.278 1.516 20 0 ADADHN Cc1ccc(CNC(C)(C)CO)nc1 87782488 491032348 /nfs/dbraw/zinc/03/23/48/491032348.db2.gz MMKVBUMAGZTBBM-UHFFFAOYSA-N 0 3 194.278 1.251 20 0 ADADHN Cc1ccc(CNC[C@H](C)CO)nc1 87782303 491032376 /nfs/dbraw/zinc/03/23/76/491032376.db2.gz BADNHEVDBAUSLK-JTQLQIEISA-N 0 3 194.278 1.108 20 0 ADADHN C[C@H](N[C@H]1CCOC1)c1ccoc1 87783240 491032385 /nfs/dbraw/zinc/03/23/85/491032385.db2.gz MRPDIEZRIPGTTO-WPRPVWTQSA-N 0 3 181.235 1.719 20 0 ADADHN CC[C@H](CO)NCc1ccc(C)cn1 87782085 491032406 /nfs/dbraw/zinc/03/24/06/491032406.db2.gz HMGQAISJHFJMBQ-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN CCNc1cc(NCC)nc(C)n1 87807433 491032515 /nfs/dbraw/zinc/03/25/15/491032515.db2.gz ILWFBVNYXJSPHA-UHFFFAOYSA-N 0 3 180.255 1.649 20 0 ADADHN CCOCCN(C)CCC(C)(C)O 87978635 491032541 /nfs/dbraw/zinc/03/25/41/491032541.db2.gz MBRXJZZVMUHCHL-UHFFFAOYSA-N 0 3 189.299 1.116 20 0 ADADHN FCCCNCc1cccnc1 88024457 491032609 /nfs/dbraw/zinc/03/26/09/491032609.db2.gz KEMJHCDXYRUBNS-UHFFFAOYSA-N 0 3 168.215 1.531 20 0 ADADHN FCCCNCc1ccco1 88024448 491032627 /nfs/dbraw/zinc/03/26/27/491032627.db2.gz RPQAXPXKPSWZRK-UHFFFAOYSA-N 0 3 157.188 1.729 20 0 ADADHN Cc1noc(C)c1CNCCCF 88025148 491032707 /nfs/dbraw/zinc/03/27/07/491032707.db2.gz MJJBXFVOWXVSKL-UHFFFAOYSA-N 0 3 186.230 1.741 20 0 ADADHN COc1ccc(CNCCCF)cn1 88024914 491032717 /nfs/dbraw/zinc/03/27/17/491032717.db2.gz BZOVIKRVPILCQX-UHFFFAOYSA-N 0 3 198.241 1.539 20 0 ADADHN CC[C@H](NCc1ccon1)C1CC1 88052558 491032860 /nfs/dbraw/zinc/03/28/60/491032860.db2.gz UVTNNAZEWCQZJH-JTQLQIEISA-N 0 3 180.251 1.953 20 0 ADADHN Cc1nn(C)c(C)c1CNCCCF 88025145 491032797 /nfs/dbraw/zinc/03/27/97/491032797.db2.gz SKJRUTSDUKSYSP-UHFFFAOYSA-N 0 3 199.273 1.486 20 0 ADADHN CC(C)[C@H](C)NCc1ccon1 88052790 491032845 /nfs/dbraw/zinc/03/28/45/491032845.db2.gz SXDFXXGNBLXLBP-QMMMGPOBSA-N 0 3 168.240 1.809 20 0 ADADHN c1cc(CNCC2CCCC2)no1 88052425 491032924 /nfs/dbraw/zinc/03/29/24/491032924.db2.gz YDKTWUDWAQDLNN-UHFFFAOYSA-N 0 3 180.251 1.954 20 0 ADADHN CC[C@@H](NCc1ccon1)C1CC1 88052559 491032939 /nfs/dbraw/zinc/03/29/39/491032939.db2.gz UVTNNAZEWCQZJH-SNVBAGLBSA-N 0 3 180.251 1.953 20 0 ADADHN CC(C)[C@@H](C)NCc1ccon1 88052789 491032952 /nfs/dbraw/zinc/03/29/52/491032952.db2.gz SXDFXXGNBLXLBP-MRVPVSSYSA-N 0 3 168.240 1.809 20 0 ADADHN CCCNCc1cnccc1N(C)C 88114780 491033109 /nfs/dbraw/zinc/03/31/09/491033109.db2.gz UNXAXLRKRZVTCJ-UHFFFAOYSA-N 0 3 193.294 1.647 20 0 ADADHN CC(C)NCc1cnccc1N(C)C 88114801 491033126 /nfs/dbraw/zinc/03/31/26/491033126.db2.gz RWDRJWOXZLYLPY-UHFFFAOYSA-N 0 3 193.294 1.646 20 0 ADADHN CCNCc1cnccc1N(C)C 88114786 491033132 /nfs/dbraw/zinc/03/31/32/491033132.db2.gz LJYYAZCRSJCSDW-UHFFFAOYSA-N 0 3 179.267 1.257 20 0 ADADHN CN(C)c1ccncc1CNC1CC1 88114795 491033143 /nfs/dbraw/zinc/03/31/43/491033143.db2.gz BTMYABVXEJVZTE-UHFFFAOYSA-N 0 3 191.278 1.400 20 0 ADADHN Cc1n[nH]cc1CNC1CC=CC1 131199760 491034433 /nfs/dbraw/zinc/03/44/33/491034433.db2.gz WUKQIYPUBCDBMZ-UHFFFAOYSA-N 0 3 177.251 1.526 20 0 ADADHN CC(C)(CO)CNCc1ccco1 88170090 491033234 /nfs/dbraw/zinc/03/32/34/491033234.db2.gz ZHABOEQCBMLUHV-UHFFFAOYSA-N 0 3 183.251 1.388 20 0 ADADHN Cc1ccc(CN[C@H]2CCOC2)nc1 88135587 491033282 /nfs/dbraw/zinc/03/32/82/491033282.db2.gz CXUZCOGUGDTPBB-NSHDSACASA-N 0 3 192.262 1.269 20 0 ADADHN C[C@@H](NCC(C)(C)CO)c1ccco1 88170320 491033366 /nfs/dbraw/zinc/03/33/66/491033366.db2.gz JAZOZJNNAIRPIC-SECBINFHSA-N 0 3 197.278 1.949 20 0 ADADHN CC(C)(CO)CNCc1cccnc1 88170234 491033372 /nfs/dbraw/zinc/03/33/72/491033372.db2.gz SVUPHKXYFHRVSO-UHFFFAOYSA-N 0 3 194.278 1.190 20 0 ADADHN C[C@H](NCC(C)(C)CO)c1ccco1 88170319 491033400 /nfs/dbraw/zinc/03/34/00/491033400.db2.gz JAZOZJNNAIRPIC-VIFPVBQESA-N 0 3 197.278 1.949 20 0 ADADHN CC(C)(CO)CNCc1ccncc1 88170233 491033404 /nfs/dbraw/zinc/03/34/04/491033404.db2.gz VPKMWRRWFVLIFQ-UHFFFAOYSA-N 0 3 194.278 1.190 20 0 ADADHN CC(C)(CO)CNCc1ccccn1 88170171 491033421 /nfs/dbraw/zinc/03/34/21/491033421.db2.gz HLERSMXZLUFGRG-UHFFFAOYSA-N 0 3 194.278 1.190 20 0 ADADHN Cc1ccc(CNCC(C)(C)CO)o1 88170679 491033428 /nfs/dbraw/zinc/03/34/28/491033428.db2.gz GKSANXLQLSYORX-UHFFFAOYSA-N 0 3 197.278 1.696 20 0 ADADHN CC(C)(CO)CNCc1ccsc1 88170728 491033435 /nfs/dbraw/zinc/03/34/35/491033435.db2.gz BDOQUIZOAHJOAN-UHFFFAOYSA-N 0 3 199.319 1.856 20 0 ADADHN Cn1cncc1CNC1CC=CC1 131186457 491034464 /nfs/dbraw/zinc/03/44/64/491034464.db2.gz LHQKPKZXAWBJLD-UHFFFAOYSA-N 0 3 177.251 1.228 20 0 ADADHN Cc1ccoc1CN[C@@H](C)CCCO 130360233 491033514 /nfs/dbraw/zinc/03/35/14/491033514.db2.gz ZRJSKMFCEIWIQE-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CN[C@H](C)CCCO 130360417 491033520 /nfs/dbraw/zinc/03/35/20/491033520.db2.gz ZRJSKMFCEIWIQE-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN Cn1ccc(CNC2CC=CC2)n1 131176064 491034483 /nfs/dbraw/zinc/03/44/83/491034483.db2.gz ZHFWTDHUZDXIEH-UHFFFAOYSA-N 0 3 177.251 1.228 20 0 ADADHN C1=CCC(NCc2cc[nH]n2)C1 131171629 491034486 /nfs/dbraw/zinc/03/44/86/491034486.db2.gz CNIAOILHTZCLAU-UHFFFAOYSA-N 0 3 163.224 1.218 20 0 ADADHN CCn1ccnc1CNC1CC=CC1 131192874 491034491 /nfs/dbraw/zinc/03/44/91/491034491.db2.gz BUYLJOKOLSMJLB-UHFFFAOYSA-N 0 3 191.278 1.711 20 0 ADADHN C[C@@H](CN(C)C)NCc1nccs1 130320087 491033559 /nfs/dbraw/zinc/03/35/59/491033559.db2.gz LPQVWKHWAFSXHL-QMMMGPOBSA-N 0 3 199.323 1.183 20 0 ADADHN CCn1cc(CNC2CC=CC2)cn1 131176249 491034505 /nfs/dbraw/zinc/03/45/05/491034505.db2.gz QKFSQVBYDWOGRU-UHFFFAOYSA-N 0 3 191.278 1.711 20 0 ADADHN OCc1ccc(CNC2CC=CC2)o1 131193096 491034520 /nfs/dbraw/zinc/03/45/20/491034520.db2.gz LSWHDWZMVMWMHP-UHFFFAOYSA-N 0 3 193.246 1.580 20 0 ADADHN Cn1nccc1CNC1CC=CC1 131173651 491034546 /nfs/dbraw/zinc/03/45/46/491034546.db2.gz QJRQRXVEYWTZCW-UHFFFAOYSA-N 0 3 177.251 1.228 20 0 ADADHN C[C@H](CC(F)(F)F)N[C@@H]1CCOC1 131328921 491034572 /nfs/dbraw/zinc/03/45/72/491034572.db2.gz FFMJUQJPFMKWPZ-RNFRBKRXSA-N 0 3 197.200 1.706 20 0 ADADHN C[C@@H](CC(F)(F)F)N[C@H]1CCOC1 131329107 491034615 /nfs/dbraw/zinc/03/46/15/491034615.db2.gz FFMJUQJPFMKWPZ-BQBZGAKWSA-N 0 3 197.200 1.706 20 0 ADADHN C[C@H](CC(F)(F)F)N[C@H]1CCOC1 131329304 491034645 /nfs/dbraw/zinc/03/46/45/491034645.db2.gz FFMJUQJPFMKWPZ-RQJHMYQMSA-N 0 3 197.200 1.706 20 0 ADADHN C[C@@H](CC(F)(F)F)N[C@@H]1CCOC1 131328727 491034677 /nfs/dbraw/zinc/03/46/77/491034677.db2.gz FFMJUQJPFMKWPZ-NKWVEPMBSA-N 0 3 197.200 1.706 20 0 ADADHN OCCCCNCc1cncs1 131475671 491034808 /nfs/dbraw/zinc/03/48/08/491034808.db2.gz QFJWUQYVHCOPSO-UHFFFAOYSA-N 0 3 186.280 1.005 20 0 ADADHN CCc1nnc([C@@H](C)N[C@@H](C)CC)[nH]1 131631622 491034922 /nfs/dbraw/zinc/03/49/22/491034922.db2.gz LMYRQFUDSZLRHJ-JGVFFNPUSA-N 0 3 196.298 1.816 20 0 ADADHN CCc1nnc([C@@H](C)[NH2+][C@@H](C)CC)[n-]1 131631622 491034923 /nfs/dbraw/zinc/03/49/23/491034923.db2.gz LMYRQFUDSZLRHJ-JGVFFNPUSA-N 0 3 196.298 1.816 20 0 ADADHN CCc1nnc([C@H](C)N[C@@H](C)CC)[nH]1 131631805 491034927 /nfs/dbraw/zinc/03/49/27/491034927.db2.gz LMYRQFUDSZLRHJ-YUMQZZPRSA-N 0 3 196.298 1.816 20 0 ADADHN CCc1nnc([C@H](C)[NH2+][C@@H](C)CC)[n-]1 131631805 491034928 /nfs/dbraw/zinc/03/49/28/491034928.db2.gz LMYRQFUDSZLRHJ-YUMQZZPRSA-N 0 3 196.298 1.816 20 0 ADADHN CCc1nnc([C@H](C)N[C@H](C)CC)[nH]1 131632189 491035021 /nfs/dbraw/zinc/03/50/21/491035021.db2.gz LMYRQFUDSZLRHJ-SFYZADRCSA-N 0 3 196.298 1.816 20 0 ADADHN CCc1nnc([C@H](C)[NH2+][C@H](C)CC)[n-]1 131632189 491035022 /nfs/dbraw/zinc/03/50/22/491035022.db2.gz LMYRQFUDSZLRHJ-SFYZADRCSA-N 0 3 196.298 1.816 20 0 ADADHN CCc1nnc([C@@H](C)N[C@H](C)CC)[nH]1 131631972 491035044 /nfs/dbraw/zinc/03/50/44/491035044.db2.gz LMYRQFUDSZLRHJ-HTQZYQBOSA-N 0 3 196.298 1.816 20 0 ADADHN CCc1nnc([C@@H](C)[NH2+][C@H](C)CC)[n-]1 131631972 491035045 /nfs/dbraw/zinc/03/50/45/491035045.db2.gz LMYRQFUDSZLRHJ-HTQZYQBOSA-N 0 3 196.298 1.816 20 0 ADADHN CC[C@@H](O)CCNCc1ccncc1 131691623 491035053 /nfs/dbraw/zinc/03/50/53/491035053.db2.gz DFKUTSZNHVFCNB-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@H](O)CCNCc1ccsc1 131719491 491035061 /nfs/dbraw/zinc/03/50/61/491035061.db2.gz CSAXRAHUYUKJEU-JTQLQIEISA-N 0 3 199.319 1.999 20 0 ADADHN CC[C@H](O)CCNCc1cccnc1 131710225 491035090 /nfs/dbraw/zinc/03/50/90/491035090.db2.gz VNZXZKUWBJMITB-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@H](O)CCNCc1occc1C 131686362 491035106 /nfs/dbraw/zinc/03/51/06/491035106.db2.gz PGOZDYHFCBQPPB-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@H](O)CCNCc1cccnc1 131710435 491035111 /nfs/dbraw/zinc/03/51/11/491035111.db2.gz VNZXZKUWBJMITB-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@@H](O)CCNCc1ccc(C)o1 131702628 491035114 /nfs/dbraw/zinc/03/51/14/491035114.db2.gz GNZIFYGERNLTAX-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@H](O)CCNCc1ccccn1 131687988 491035119 /nfs/dbraw/zinc/03/51/19/491035119.db2.gz PWDSSUPAIFJIPQ-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN C[C@H](O)CN[C@H](C)c1cncc(F)c1 131715822 491035136 /nfs/dbraw/zinc/03/51/36/491035136.db2.gz VAGNVDOBEZXQCC-JGVFFNPUSA-N 0 3 198.241 1.252 20 0 ADADHN CC[C@@H](O)CCNCc1ccsc1 131719700 491035138 /nfs/dbraw/zinc/03/51/38/491035138.db2.gz CSAXRAHUYUKJEU-SNVBAGLBSA-N 0 3 199.319 1.999 20 0 ADADHN CC[C@@H](O)CCNCc1ccccn1 131688174 491035167 /nfs/dbraw/zinc/03/51/67/491035167.db2.gz PWDSSUPAIFJIPQ-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@H](O)CCNCc1ccc(C)o1 131702424 491035175 /nfs/dbraw/zinc/03/51/75/491035175.db2.gz GNZIFYGERNLTAX-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@H](O)CCNCc1ccco1 131719984 491035178 /nfs/dbraw/zinc/03/51/78/491035178.db2.gz RASWYXAHQTYZGJ-VIFPVBQESA-N 0 3 183.251 1.530 20 0 ADADHN CC[C@@H](O)CCNCc1occc1C 131686566 491035185 /nfs/dbraw/zinc/03/51/85/491035185.db2.gz PGOZDYHFCBQPPB-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@H](O)CCNCc1ccco1 131720196 491035191 /nfs/dbraw/zinc/03/51/91/491035191.db2.gz RASWYXAHQTYZGJ-SECBINFHSA-N 0 3 183.251 1.530 20 0 ADADHN CC[C@H](O)CCNCc1ccncc1 131691441 491035195 /nfs/dbraw/zinc/03/51/95/491035195.db2.gz DFKUTSZNHVFCNB-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1cncs1 131762592 491035210 /nfs/dbraw/zinc/03/52/10/491035210.db2.gz AMXPZUUJURHSOQ-BQBZGAKWSA-N 0 3 186.280 1.175 20 0 ADADHN C[C@H](O)CN[C@H](C)c1ccc(F)cn1 131741915 491035226 /nfs/dbraw/zinc/03/52/26/491035226.db2.gz XAGVEZLIAWVEAQ-JGVFFNPUSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1ccc(F)cn1 131741683 491035281 /nfs/dbraw/zinc/03/52/81/491035281.db2.gz XAGVEZLIAWVEAQ-YUMQZZPRSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@H](O)CN[C@H](C)c1cncs1 131762787 491035294 /nfs/dbraw/zinc/03/52/94/491035294.db2.gz AMXPZUUJURHSOQ-NKWVEPMBSA-N 0 3 186.280 1.175 20 0 ADADHN CCc1ccc([C@@H](C)NC[C@H](C)O)o1 131739565 491035298 /nfs/dbraw/zinc/03/52/98/491035298.db2.gz KGBCQCWHXKITEF-DTWKUNHWSA-N 0 3 197.278 1.873 20 0 ADADHN CCc1ccc([C@H](C)NC[C@H](C)O)o1 131739779 491035305 /nfs/dbraw/zinc/03/53/05/491035305.db2.gz KGBCQCWHXKITEF-IUCAKERBSA-N 0 3 197.278 1.873 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1cncs1 131850362 491035333 /nfs/dbraw/zinc/03/53/33/491035333.db2.gz AMXPZUUJURHSOQ-RNFRBKRXSA-N 0 3 186.280 1.175 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1cncs1 131850170 491035370 /nfs/dbraw/zinc/03/53/70/491035370.db2.gz AMXPZUUJURHSOQ-RQJHMYQMSA-N 0 3 186.280 1.175 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1cncc(F)c1 131811503 491035378 /nfs/dbraw/zinc/03/53/78/491035378.db2.gz VAGNVDOBEZXQCC-HTQZYQBOSA-N 0 3 198.241 1.252 20 0 ADADHN CCc1ccc([C@@H](C)NC[C@@H](C)O)o1 131831867 491035394 /nfs/dbraw/zinc/03/53/94/491035394.db2.gz KGBCQCWHXKITEF-RKDXNWHRSA-N 0 3 197.278 1.873 20 0 ADADHN CCc1ccc([C@H](C)NC[C@@H](C)O)o1 131832090 491035413 /nfs/dbraw/zinc/03/54/13/491035413.db2.gz KGBCQCWHXKITEF-BDAKNGLRSA-N 0 3 197.278 1.873 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1ccc(F)cn1 131834179 491035445 /nfs/dbraw/zinc/03/54/45/491035445.db2.gz XAGVEZLIAWVEAQ-HTQZYQBOSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1ccc(F)cn1 131833946 491035448 /nfs/dbraw/zinc/03/54/48/491035448.db2.gz XAGVEZLIAWVEAQ-SFYZADRCSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@@H](NCc1cc[nH]n1)C1CCC1 133381196 491037670 /nfs/dbraw/zinc/03/76/70/491037670.db2.gz PIXXTKMULRJYDU-MRVPVSSYSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H](NCc1cc[nH]n1)C1CCC1 133380983 491037679 /nfs/dbraw/zinc/03/76/79/491037679.db2.gz PIXXTKMULRJYDU-QMMMGPOBSA-N 0 3 179.267 1.688 20 0 ADADHN CO[C@H](C)[C@H](C)NCc1cccnc1 131922306 491035599 /nfs/dbraw/zinc/03/55/99/491035599.db2.gz AQGXJXGWLXCOPZ-VHSXEESVSA-N 0 3 194.278 1.595 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1cccnc1 131922493 491035619 /nfs/dbraw/zinc/03/56/19/491035619.db2.gz AQGXJXGWLXCOPZ-NXEZZACHSA-N 0 3 194.278 1.595 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1ccccn1 131920771 491035641 /nfs/dbraw/zinc/03/56/41/491035641.db2.gz SOUOWHBJUQDXSX-ZJUUUORDSA-N 0 3 194.278 1.595 20 0 ADADHN C[C@H](NCCCO)c1cncs1 131979311 491035657 /nfs/dbraw/zinc/03/56/57/491035657.db2.gz HKRXZRFDTYOQLE-ZETCQYMHSA-N 0 3 186.280 1.176 20 0 ADADHN C[C@@H](NCC1(O)CCC1)c1ccoc1 133440587 491037724 /nfs/dbraw/zinc/03/77/24/491037724.db2.gz GKHHZJCDMAQDBQ-SECBINFHSA-N 0 3 195.262 1.845 20 0 ADADHN C[C@H](NCC1(O)CCC1)c1ccco1 133427880 491037726 /nfs/dbraw/zinc/03/77/26/491037726.db2.gz HQIRNENAHVRSMM-VIFPVBQESA-N 0 3 195.262 1.845 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1cccnc1 131922936 491035683 /nfs/dbraw/zinc/03/56/83/491035683.db2.gz AQGXJXGWLXCOPZ-ZJUUUORDSA-N 0 3 194.278 1.595 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1ccccn1 131920341 491035685 /nfs/dbraw/zinc/03/56/85/491035685.db2.gz SOUOWHBJUQDXSX-NXEZZACHSA-N 0 3 194.278 1.595 20 0 ADADHN C[C@@H](NCCCO)c1cncs1 131979531 491035699 /nfs/dbraw/zinc/03/56/99/491035699.db2.gz HKRXZRFDTYOQLE-SSDOTTSWSA-N 0 3 186.280 1.176 20 0 ADADHN CO[C@@H](C)[C@H](C)NCc1cccnc1 131922707 491035702 /nfs/dbraw/zinc/03/57/02/491035702.db2.gz AQGXJXGWLXCOPZ-UWVGGRQHSA-N 0 3 194.278 1.595 20 0 ADADHN CO[C@@H](C)[C@H](C)NCc1ccco1 132012982 491035791 /nfs/dbraw/zinc/03/57/91/491035791.db2.gz TXSHQKRPNFJMQH-IUCAKERBSA-N 0 3 183.251 1.793 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1ccco1 132013189 491035727 /nfs/dbraw/zinc/03/57/27/491035727.db2.gz TXSHQKRPNFJMQH-BDAKNGLRSA-N 0 3 183.251 1.793 20 0 ADADHN COCCN[C@H](C)c1cncs1 132017307 491035749 /nfs/dbraw/zinc/03/57/49/491035749.db2.gz SMBPCJOWDCDTCK-SSDOTTSWSA-N 0 3 186.280 1.440 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1ccco1 132012792 491035770 /nfs/dbraw/zinc/03/57/70/491035770.db2.gz TXSHQKRPNFJMQH-RKDXNWHRSA-N 0 3 183.251 1.793 20 0 ADADHN CO[C@H](C)[C@H](C)NCc1ccco1 132012595 491035807 /nfs/dbraw/zinc/03/58/07/491035807.db2.gz TXSHQKRPNFJMQH-DTWKUNHWSA-N 0 3 183.251 1.793 20 0 ADADHN C[C@@H](NCC1(O)CCC1)c1ccco1 133428097 491037748 /nfs/dbraw/zinc/03/77/48/491037748.db2.gz HQIRNENAHVRSMM-SECBINFHSA-N 0 3 195.262 1.845 20 0 ADADHN COCCN[C@@H](C)c1cncs1 132017094 491035840 /nfs/dbraw/zinc/03/58/40/491035840.db2.gz SMBPCJOWDCDTCK-ZETCQYMHSA-N 0 3 186.280 1.440 20 0 ADADHN CC[C@H](NCC1CC1)c1nccn1C 132109895 491035873 /nfs/dbraw/zinc/03/58/73/491035873.db2.gz SMDPQYWZLQYNIR-JTQLQIEISA-N 0 3 193.294 1.871 20 0 ADADHN CC[C@@H](NCC1CC1)c1nccn1C 132110056 491035896 /nfs/dbraw/zinc/03/58/96/491035896.db2.gz SMDPQYWZLQYNIR-SNVBAGLBSA-N 0 3 193.294 1.871 20 0 ADADHN CC[C@@H](NC1CC1)c1nccn1C 132068210 491035904 /nfs/dbraw/zinc/03/59/04/491035904.db2.gz BEDIJTUMWZUXJZ-SECBINFHSA-N 0 3 179.267 1.623 20 0 ADADHN CC[C@H](NC1CC1)c1nccn1C 132068011 491035914 /nfs/dbraw/zinc/03/59/14/491035914.db2.gz BEDIJTUMWZUXJZ-VIFPVBQESA-N 0 3 179.267 1.623 20 0 ADADHN CC(C)N[C@@H](C)c1nnc(C(C)C)[nH]1 132952962 491037086 /nfs/dbraw/zinc/03/70/86/491037086.db2.gz TYNMKWNUJOOFJF-QMMMGPOBSA-N 0 3 196.298 1.987 20 0 ADADHN CC(C)[NH2+][C@@H](C)c1nnc(C(C)C)[n-]1 132952962 491037087 /nfs/dbraw/zinc/03/70/87/491037087.db2.gz TYNMKWNUJOOFJF-QMMMGPOBSA-N 0 3 196.298 1.987 20 0 ADADHN CC[C@H](NCCCF)c1nccn1C 132324638 491036135 /nfs/dbraw/zinc/03/61/35/491036135.db2.gz XWDNCZNKPNAWMV-VIFPVBQESA-N 0 3 199.273 1.820 20 0 ADADHN CC(C)N[C@H](C)c1nnc(C(C)C)[nH]1 132952784 491037094 /nfs/dbraw/zinc/03/70/94/491037094.db2.gz TYNMKWNUJOOFJF-MRVPVSSYSA-N 0 3 196.298 1.987 20 0 ADADHN CC(C)[NH2+][C@H](C)c1nnc(C(C)C)[n-]1 132952784 491037095 /nfs/dbraw/zinc/03/70/95/491037095.db2.gz TYNMKWNUJOOFJF-MRVPVSSYSA-N 0 3 196.298 1.987 20 0 ADADHN C[C@H](NCCCF)c1nccn1C 132325059 491036170 /nfs/dbraw/zinc/03/61/70/491036170.db2.gz FOMKIOPWTJRIBG-QMMMGPOBSA-N 0 3 185.246 1.430 20 0 ADADHN C[C@@H](NCCCF)c1nccn1C 132325269 491036205 /nfs/dbraw/zinc/03/62/05/491036205.db2.gz FOMKIOPWTJRIBG-MRVPVSSYSA-N 0 3 185.246 1.430 20 0 ADADHN CC[C@@H](NCCCF)c1nccn1C 132324807 491036235 /nfs/dbraw/zinc/03/62/35/491036235.db2.gz XWDNCZNKPNAWMV-SECBINFHSA-N 0 3 199.273 1.820 20 0 ADADHN C[C@@H](NCC1(CO)CC1)c1ccoc1 132386198 491036246 /nfs/dbraw/zinc/03/62/46/491036246.db2.gz PHNHWMGJQYTRTL-SECBINFHSA-N 0 3 195.262 1.703 20 0 ADADHN C[C@H](NCC1(CO)CC1)c1ccoc1 132385989 491036260 /nfs/dbraw/zinc/03/62/60/491036260.db2.gz PHNHWMGJQYTRTL-VIFPVBQESA-N 0 3 195.262 1.703 20 0 ADADHN CCc1nnc([C@H](C)NC(C)C)[nH]1 132954273 491037149 /nfs/dbraw/zinc/03/71/49/491037149.db2.gz RTOVUNBUZBHQNL-ZETCQYMHSA-N 0 3 182.271 1.426 20 0 ADADHN CCc1nnc([C@H](C)[NH2+]C(C)C)[n-]1 132954273 491037150 /nfs/dbraw/zinc/03/71/50/491037150.db2.gz RTOVUNBUZBHQNL-ZETCQYMHSA-N 0 3 182.271 1.426 20 0 ADADHN CCc1nnc([C@@H](C)NC(C)C)[nH]1 132954064 491037158 /nfs/dbraw/zinc/03/71/58/491037158.db2.gz RTOVUNBUZBHQNL-SSDOTTSWSA-N 0 3 182.271 1.426 20 0 ADADHN CCc1nnc([C@@H](C)[NH2+]C(C)C)[n-]1 132954064 491037159 /nfs/dbraw/zinc/03/71/59/491037159.db2.gz RTOVUNBUZBHQNL-SSDOTTSWSA-N 0 3 182.271 1.426 20 0 ADADHN C[C@@H](NCC1(CO)CC1)c1ccco1 132370936 491036310 /nfs/dbraw/zinc/03/63/10/491036310.db2.gz JDSFTMZWTNYKNQ-SECBINFHSA-N 0 3 195.262 1.703 20 0 ADADHN C[C@H](NCC1(CO)CC1)c1ccco1 132370707 491036339 /nfs/dbraw/zinc/03/63/39/491036339.db2.gz JDSFTMZWTNYKNQ-VIFPVBQESA-N 0 3 195.262 1.703 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1ccoc1 132529246 491036401 /nfs/dbraw/zinc/03/64/01/491036401.db2.gz ONRGCLNCTJJWKM-BDAKNGLRSA-N 0 3 183.251 1.793 20 0 ADADHN CO[C@H](C)[C@H](C)NCc1ccoc1 132528637 491036428 /nfs/dbraw/zinc/03/64/28/491036428.db2.gz ONRGCLNCTJJWKM-DTWKUNHWSA-N 0 3 183.251 1.793 20 0 ADADHN OCC1(CNCc2cncs2)CC1 132437184 491036433 /nfs/dbraw/zinc/03/64/33/491036433.db2.gz RSDFJLFMJYLMGC-UHFFFAOYSA-N 0 3 198.291 1.005 20 0 ADADHN CO[C@@H](C)[C@H](C)NCc1ccoc1 132529030 491036443 /nfs/dbraw/zinc/03/64/43/491036443.db2.gz ONRGCLNCTJJWKM-IUCAKERBSA-N 0 3 183.251 1.793 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1ccoc1 132528845 491036473 /nfs/dbraw/zinc/03/64/73/491036473.db2.gz ONRGCLNCTJJWKM-RKDXNWHRSA-N 0 3 183.251 1.793 20 0 ADADHN COC[C@H](NCc1ccoc1)C1CC1 132533262 491036479 /nfs/dbraw/zinc/03/64/79/491036479.db2.gz QXFYLELUZUVJJS-NSHDSACASA-N 0 3 195.262 1.794 20 0 ADADHN COC[C@@H](NCc1ccoc1)C1CC1 132533459 491036486 /nfs/dbraw/zinc/03/64/86/491036486.db2.gz QXFYLELUZUVJJS-LLVKDONJSA-N 0 3 195.262 1.794 20 0 ADADHN C[C@H](CO)N[C@H](C)c1cncs1 132613660 491036501 /nfs/dbraw/zinc/03/65/01/491036501.db2.gz ZQIKFOGHTFJFGQ-RNFRBKRXSA-N 0 3 186.280 1.175 20 0 ADADHN C[C@H](N[C@H](C)CO)c1cncs1 132613448 491036503 /nfs/dbraw/zinc/03/65/03/491036503.db2.gz ZQIKFOGHTFJFGQ-RQJHMYQMSA-N 0 3 186.280 1.175 20 0 ADADHN Cc1ccncc1CN[C@@H](C)CCO 132557546 491036511 /nfs/dbraw/zinc/03/65/11/491036511.db2.gz FAQMKUQVGQCKEP-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN Cc1ccncc1CN[C@H](C)CCO 132557736 491036538 /nfs/dbraw/zinc/03/65/38/491036538.db2.gz FAQMKUQVGQCKEP-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN C[C@H](CO)N(C)Cc1cccc(F)c1 132636702 491036567 /nfs/dbraw/zinc/03/65/67/491036567.db2.gz KMEDCDFCJHWTQF-SECBINFHSA-N 0 3 197.253 1.638 20 0 ADADHN CCn1cncc1CNC1CC=CC1 132535539 491036613 /nfs/dbraw/zinc/03/66/13/491036613.db2.gz PGSCCAHVPLTNOM-UHFFFAOYSA-N 0 3 191.278 1.711 20 0 ADADHN COC[C@H](NC(C)C)c1ccco1 132812853 491036880 /nfs/dbraw/zinc/03/68/80/491036880.db2.gz RZKWMUFOBJESKQ-VIFPVBQESA-N 0 3 183.251 1.965 20 0 ADADHN COC[C@@H](NC(C)C)c1ccco1 132813070 491036926 /nfs/dbraw/zinc/03/69/26/491036926.db2.gz RZKWMUFOBJESKQ-SECBINFHSA-N 0 3 183.251 1.965 20 0 ADADHN COCCN[C@@H](C)c1c[nH]nc1C 134543115 491039037 /nfs/dbraw/zinc/03/90/37/491039037.db2.gz KGVIPRLCLCBZHV-ZETCQYMHSA-N 0 3 183.255 1.015 20 0 ADADHN CC(C)[C@H](O)CN[C@H](C)c1ccoc1 133770893 491038182 /nfs/dbraw/zinc/03/81/82/491038182.db2.gz BDRMQXHNCUOWJN-MWLCHTKSSA-N 0 3 197.278 1.947 20 0 ADADHN CC(C)c1cccc(CNCCO)c1 201162503 491040303 /nfs/dbraw/zinc/04/03/03/491040303.db2.gz WPNOOOCDYYSAPE-UHFFFAOYSA-N 0 3 193.290 1.892 20 0 ADADHN C[C@H](NCC1(O)CCC1)c1ccoc1 133440372 491037785 /nfs/dbraw/zinc/03/77/85/491037785.db2.gz GKHHZJCDMAQDBQ-VIFPVBQESA-N 0 3 195.262 1.845 20 0 ADADHN OCCN(Cc1ccco1)C1CCC1 221594153 491040462 /nfs/dbraw/zinc/04/04/62/491040462.db2.gz DCAGKULUJGFYOJ-UHFFFAOYSA-N 0 3 195.262 1.626 20 0 ADADHN CC(C)[C@@H](O)CN[C@H](C)c1ccoc1 133771093 491038174 /nfs/dbraw/zinc/03/81/74/491038174.db2.gz BDRMQXHNCUOWJN-KOLCDFICSA-N 0 3 197.278 1.947 20 0 ADADHN CC(C)[C@@H](O)CN[C@@H](C)c1ccoc1 133770688 491038207 /nfs/dbraw/zinc/03/82/07/491038207.db2.gz BDRMQXHNCUOWJN-ONGXEEELSA-N 0 3 197.278 1.947 20 0 ADADHN C[C@@H](NCCCO)c1ccc(F)cn1 133846035 491038231 /nfs/dbraw/zinc/03/82/31/491038231.db2.gz ZEOOYOXYEJWGTQ-MRVPVSSYSA-N 0 3 198.241 1.254 20 0 ADADHN C[C@H](NCCCO)c1ccc(F)cn1 133845820 491038258 /nfs/dbraw/zinc/03/82/58/491038258.db2.gz ZEOOYOXYEJWGTQ-QMMMGPOBSA-N 0 3 198.241 1.254 20 0 ADADHN CC(C)[C@H](O)CN[C@@H](C)c1ccoc1 133770466 491038270 /nfs/dbraw/zinc/03/82/70/491038270.db2.gz BDRMQXHNCUOWJN-GXSJLCMTSA-N 0 3 197.278 1.947 20 0 ADADHN COC[C@@H](C)N[C@H](C)CC(F)(F)F 221678650 491040515 /nfs/dbraw/zinc/04/05/15/491040515.db2.gz VYGLUBDHFVWRFI-RNFRBKRXSA-N 0 3 199.216 1.952 20 0 ADADHN COC[C@@H](C)N[C@@H](C)CC(F)(F)F 221678538 491040530 /nfs/dbraw/zinc/04/05/30/491040530.db2.gz VYGLUBDHFVWRFI-NKWVEPMBSA-N 0 3 199.216 1.952 20 0 ADADHN C[C@@H]1OCC[C@@H]1NCCC(F)(F)F 134094034 491038452 /nfs/dbraw/zinc/03/84/52/491038452.db2.gz OBWNAOJTESELPF-BQBZGAKWSA-N 0 3 197.200 1.706 20 0 ADADHN C[C@H]1OCC[C@@H]1NCCC(F)(F)F 134093870 491038475 /nfs/dbraw/zinc/03/84/75/491038475.db2.gz OBWNAOJTESELPF-RQJHMYQMSA-N 0 3 197.200 1.706 20 0 ADADHN C[C@@H]1OCC[C@H]1NCCC(F)(F)F 134093653 491038525 /nfs/dbraw/zinc/03/85/25/491038525.db2.gz OBWNAOJTESELPF-NKWVEPMBSA-N 0 3 197.200 1.706 20 0 ADADHN CC(C)CCN1CCCC[C@@H]1C(N)=O 221649789 491040559 /nfs/dbraw/zinc/04/05/59/491040559.db2.gz UIUDHALTMOTAIQ-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)OCCNCc1ccn(C)c1 134118703 491038585 /nfs/dbraw/zinc/03/85/85/491038585.db2.gz JUVVOIGRHDTVPQ-UHFFFAOYSA-N 0 3 196.294 1.540 20 0 ADADHN CC(C)CCN1CCCC[C@H]1C(N)=O 221649848 491040572 /nfs/dbraw/zinc/04/05/72/491040572.db2.gz UIUDHALTMOTAIQ-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)OCCNCc1cc[nH]c1 134129021 491038628 /nfs/dbraw/zinc/03/86/28/491038628.db2.gz ZIABNVRTSOILPV-UHFFFAOYSA-N 0 3 182.267 1.529 20 0 ADADHN Cc1n[nH]cc1CNCCOC(C)C 134116071 491038638 /nfs/dbraw/zinc/03/86/38/491038638.db2.gz VWARAHDFONVAKC-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN CC(C)OCCNCc1cccn1C 134113777 491038648 /nfs/dbraw/zinc/03/86/48/491038648.db2.gz QSOYCJVHKBTSPV-UHFFFAOYSA-N 0 3 196.294 1.540 20 0 ADADHN COC[C@H](C)N[C@H](C)CC(F)(F)F 221678699 491040579 /nfs/dbraw/zinc/04/05/79/491040579.db2.gz VYGLUBDHFVWRFI-RQJHMYQMSA-N 0 3 199.216 1.952 20 0 ADADHN COC[C@H](C)N[C@@H](C)CC(F)(F)F 221678591 491040586 /nfs/dbraw/zinc/04/05/86/491040586.db2.gz VYGLUBDHFVWRFI-BQBZGAKWSA-N 0 3 199.216 1.952 20 0 ADADHN Cc1ccc(F)cc1CN[C@H](C)CO 134533936 491038979 /nfs/dbraw/zinc/03/89/79/491038979.db2.gz KGLJVEAKLWPSLL-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN CC[C@@H](CO)N[C@H](C)c1c[nH]nc1C 134542411 491038982 /nfs/dbraw/zinc/03/89/82/491038982.db2.gz XUIMKZKJHTWRRZ-APPZFPTMSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1ccc(F)cc1CN[C@@H](C)CO 134534606 491038991 /nfs/dbraw/zinc/03/89/91/491038991.db2.gz KGLJVEAKLWPSLL-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN COCCCN[C@H](C)c1c[nH]nc1C 134541639 491038996 /nfs/dbraw/zinc/03/89/96/491038996.db2.gz DJPCJICSOWHSSV-MRVPVSSYSA-N 0 3 197.282 1.405 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1c[nH]nc1C 134540072 491039001 /nfs/dbraw/zinc/03/90/01/491039001.db2.gz XZLKVIRYUVQHKZ-HTQZYQBOSA-N 0 3 197.282 1.404 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1c[nH]nc1C 134540094 491039010 /nfs/dbraw/zinc/03/90/10/491039010.db2.gz XZLKVIRYUVQHKZ-SFYZADRCSA-N 0 3 197.282 1.404 20 0 ADADHN CC[C@@H](CO)N[C@@H](C)c1c[nH]nc1C 134542364 491039029 /nfs/dbraw/zinc/03/90/29/491039029.db2.gz XUIMKZKJHTWRRZ-CBAPKCEASA-N 0 3 197.282 1.140 20 0 ADADHN COCCCN[C@@H](C)c1c[nH]nc1C 134541664 491039045 /nfs/dbraw/zinc/03/90/45/491039045.db2.gz DJPCJICSOWHSSV-QMMMGPOBSA-N 0 3 197.282 1.405 20 0 ADADHN CC[C@H](CO)N[C@@H](C)c1c[nH]nc1C 134542387 491039051 /nfs/dbraw/zinc/03/90/51/491039051.db2.gz XUIMKZKJHTWRRZ-IONNQARKSA-N 0 3 197.282 1.140 20 0 ADADHN CC[C@H](CO)N[C@H](C)c1c[nH]nc1C 134542429 491039055 /nfs/dbraw/zinc/03/90/55/491039055.db2.gz XUIMKZKJHTWRRZ-VXNVDRBHSA-N 0 3 197.282 1.140 20 0 ADADHN COCCN[C@H](C)c1c[nH]nc1C 134543088 491039073 /nfs/dbraw/zinc/03/90/73/491039073.db2.gz KGVIPRLCLCBZHV-SSDOTTSWSA-N 0 3 183.255 1.015 20 0 ADADHN CCOCCN[C@@H](C)c1c[nH]nc1C 134549240 491039086 /nfs/dbraw/zinc/03/90/86/491039086.db2.gz XPGYVPIQPVUFNT-QMMMGPOBSA-N 0 3 197.282 1.405 20 0 ADADHN CCOCCN[C@H](C)c1c[nH]nc1C 134549260 491039100 /nfs/dbraw/zinc/03/91/00/491039100.db2.gz XPGYVPIQPVUFNT-MRVPVSSYSA-N 0 3 197.282 1.405 20 0 ADADHN Cc1n[nH]cc1[C@H](C)N[C@H](C)CCO 134568028 491039161 /nfs/dbraw/zinc/03/91/61/491039161.db2.gz DIUBIKDGEKGETR-SFYZADRCSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)CCO 134567967 491039173 /nfs/dbraw/zinc/03/91/73/491039173.db2.gz DIUBIKDGEKGETR-JGVFFNPUSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1n[nH]cc1[C@H](C)NCCCF 134593350 491039187 /nfs/dbraw/zinc/03/91/87/491039187.db2.gz GTGZSBHTEGOMPR-ZETCQYMHSA-N 0 3 185.246 1.728 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)NCCCF 134593331 491039194 /nfs/dbraw/zinc/03/91/94/491039194.db2.gz GTGZSBHTEGOMPR-SSDOTTSWSA-N 0 3 185.246 1.728 20 0 ADADHN Cc1n[nH]cc1[C@H](C)N[C@@H](C)CCO 134567986 491039197 /nfs/dbraw/zinc/03/91/97/491039197.db2.gz DIUBIKDGEKGETR-YUMQZZPRSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)NCC[C@H](C)O 134564620 491039200 /nfs/dbraw/zinc/03/92/00/491039200.db2.gz UTMQDXNISDYJHM-JGVFFNPUSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCOC1 134595520 491039212 /nfs/dbraw/zinc/03/92/12/491039212.db2.gz AKYCBQDUAXCSTI-APPZFPTMSA-N 0 3 195.266 1.158 20 0 ADADHN Cc1n[nH]cc1[C@H](C)N[C@H]1CCOC1 134595542 491039224 /nfs/dbraw/zinc/03/92/24/491039224.db2.gz AKYCBQDUAXCSTI-CBAPKCEASA-N 0 3 195.266 1.158 20 0 ADADHN Cc1n[nH]cc1[C@H](C)NCC(C)(C)O 134561050 491039247 /nfs/dbraw/zinc/03/92/47/491039247.db2.gz LFNKUHFKZQGLLG-ZETCQYMHSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)N[C@H](C)CCO 134568006 491039288 /nfs/dbraw/zinc/03/92/88/491039288.db2.gz DIUBIKDGEKGETR-HTQZYQBOSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)NCC(C)(C)O 134561030 491039292 /nfs/dbraw/zinc/03/92/92/491039292.db2.gz LFNKUHFKZQGLLG-SSDOTTSWSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1n[nH]cc1[C@H](C)NCC[C@H](C)O 134564639 491039299 /nfs/dbraw/zinc/03/92/99/491039299.db2.gz UTMQDXNISDYJHM-YUMQZZPRSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1nnc(CN[C@@H](C)C(C)C)s1 134719813 491039334 /nfs/dbraw/zinc/03/93/34/491039334.db2.gz FFDIHAVRSBBCRV-ZETCQYMHSA-N 0 3 199.323 1.981 20 0 ADADHN COC1(CNCc2ccco2)CCC1 134660031 491039337 /nfs/dbraw/zinc/03/93/37/491039337.db2.gz JYLMSBRANIORAE-UHFFFAOYSA-N 0 3 195.262 1.938 20 0 ADADHN Cc1nnc(CN[C@H](C)C(C)C)s1 134719839 491039343 /nfs/dbraw/zinc/03/93/43/491039343.db2.gz FFDIHAVRSBBCRV-SSDOTTSWSA-N 0 3 199.323 1.981 20 0 ADADHN CCC[C@@H](NCCO)c1cccnc1 134910522 491039441 /nfs/dbraw/zinc/03/94/41/491039441.db2.gz DLKAUUBMKIRRGQ-LLVKDONJSA-N 0 3 194.278 1.505 20 0 ADADHN CCC[C@H](NCCO)c1cccnc1 134910502 491039531 /nfs/dbraw/zinc/03/95/31/491039531.db2.gz DLKAUUBMKIRRGQ-NSHDSACASA-N 0 3 194.278 1.505 20 0 ADADHN CC[C@@H](CO)NCc1cnccc1C 135436001 491039622 /nfs/dbraw/zinc/03/96/22/491039622.db2.gz ZSJRPIKDSSCOJN-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@H](CO)NCc1cnccc1C 135436023 491039671 /nfs/dbraw/zinc/03/96/71/491039671.db2.gz ZSJRPIKDSSCOJN-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN COC[C@@H](C)NCc1cnccc1C 135429550 491039675 /nfs/dbraw/zinc/03/96/75/491039675.db2.gz OBFJMLKUGOLQAW-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN CCN1CCN(c2ccncc2)CC1 137776633 491039807 /nfs/dbraw/zinc/03/98/07/491039807.db2.gz WMIVAQQWPXUGEV-UHFFFAOYSA-N 0 3 191.278 1.224 20 0 ADADHN CCCN(C)Cc1ccc(CO)o1 136959057 491039810 /nfs/dbraw/zinc/03/98/10/491039810.db2.gz KIJBZQPGFDOWNP-UHFFFAOYSA-N 0 3 183.251 1.614 20 0 ADADHN CCC[C@@](C)(N)C(=O)NC1CC(C)C1 158260336 491039870 /nfs/dbraw/zinc/03/98/70/491039870.db2.gz ZSLCFTJELMKJLR-NWGYLPEXSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NC1CC(C)C1 158258408 491039902 /nfs/dbraw/zinc/03/99/02/491039902.db2.gz LHBKGILCRGSTLU-LRHRNSLUSA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)C[C@H](N)C(=O)NC1CC(C)C1 158247991 491039916 /nfs/dbraw/zinc/03/99/16/491039916.db2.gz QTVBYCFYQKNWTL-RTBKNWGFSA-N 0 3 198.310 1.275 20 0 ADADHN CCC[C@](C)(N)C(=O)NC1CC(C)C1 158260202 491039918 /nfs/dbraw/zinc/03/99/18/491039918.db2.gz ZSLCFTJELMKJLR-AMUVOQDHSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)NC1CC(C)C1 158258307 491039920 /nfs/dbraw/zinc/03/99/20/491039920.db2.gz LHBKGILCRGSTLU-RGWUEKKESA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)C[C@@H](N)C(=O)NC1CC(C)C1 158247839 491039924 /nfs/dbraw/zinc/03/99/24/491039924.db2.gz QTVBYCFYQKNWTL-UDNWOFFPSA-N 0 3 198.310 1.275 20 0 ADADHN CCN1CCOC[C@H]1CC(C)C 200522350 491040240 /nfs/dbraw/zinc/04/02/40/491040240.db2.gz GIQSHHDUUNCLCJ-SNVBAGLBSA-N 0 3 171.284 1.753 20 0 ADADHN CCN1CCOC[C@@H]1CC(C)C 200522313 491040249 /nfs/dbraw/zinc/04/02/49/491040249.db2.gz GIQSHHDUUNCLCJ-JTQLQIEISA-N 0 3 171.284 1.753 20 0 ADADHN CCCCCC(=O)NCCN(C)C 196625530 491040148 /nfs/dbraw/zinc/04/01/48/491040148.db2.gz UCMIHHNXXZIFRT-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CC(=O)CN(C)CCC(C)(C)C 199906278 491040191 /nfs/dbraw/zinc/04/01/91/491040191.db2.gz AHMZXSDGIWJGIK-UHFFFAOYSA-N 0 3 171.284 1.943 20 0 ADADHN CCN(CC(C)=O)CC(C)(C)C 199907259 491040206 /nfs/dbraw/zinc/04/02/06/491040206.db2.gz XJEJMQKOWBWUPN-UHFFFAOYSA-N 0 3 171.284 1.943 20 0 ADADHN CCOC[C@H](C)N[C@@H](C)c1cn[nH]c1 222518874 491041136 /nfs/dbraw/zinc/04/11/36/491041136.db2.gz ZOBMZYNKVSURSJ-IUCAKERBSA-N 0 3 197.282 1.485 20 0 ADADHN C[C@H](NCC1(C)CC1)c1cnccn1 222187269 491040914 /nfs/dbraw/zinc/04/09/14/491040914.db2.gz CNABUNLVUDFPSJ-VIFPVBQESA-N 0 3 191.278 1.927 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1cnccn1 222187216 491040925 /nfs/dbraw/zinc/04/09/25/491040925.db2.gz CNABUNLVUDFPSJ-SECBINFHSA-N 0 3 191.278 1.927 20 0 ADADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cn[nH]c1 222502848 491041017 /nfs/dbraw/zinc/04/10/17/491041017.db2.gz XKLWVOWJAFQEBF-VGMNWLOBSA-N 0 3 197.282 1.484 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1cn[nH]c1 222466077 491041075 /nfs/dbraw/zinc/04/10/75/491041075.db2.gz FFIOERXGSOBKFA-YUMQZZPRSA-N 0 3 183.255 1.095 20 0 ADADHN COC[C@H](C)N[C@H](C)c1cn[nH]c1 222466199 491041086 /nfs/dbraw/zinc/04/10/86/491041086.db2.gz FFIOERXGSOBKFA-JGVFFNPUSA-N 0 3 183.255 1.095 20 0 ADADHN CCOC[C@H](C)N[C@H](C)c1cn[nH]c1 222518988 491041161 /nfs/dbraw/zinc/04/11/61/491041161.db2.gz ZOBMZYNKVSURSJ-DTWKUNHWSA-N 0 3 197.282 1.485 20 0 ADADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cn[nH]c1 222502962 491041170 /nfs/dbraw/zinc/04/11/70/491041170.db2.gz XKLWVOWJAFQEBF-CIUDSAMLSA-N 0 3 197.282 1.484 20 0 ADADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1cn[nH]c1 222503018 491041174 /nfs/dbraw/zinc/04/11/74/491041174.db2.gz XKLWVOWJAFQEBF-XHNCKOQMSA-N 0 3 197.282 1.484 20 0 ADADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cn[nH]c1 222502906 491041187 /nfs/dbraw/zinc/04/11/87/491041187.db2.gz XKLWVOWJAFQEBF-HRDYMLBCSA-N 0 3 197.282 1.484 20 0 ADADHN CC[C@H](C(N)=O)N1CC[C@@H](C)[C@@H](C)C1 228203141 491044380 /nfs/dbraw/zinc/04/43/80/491044380.db2.gz HQXRIBLTDWAXAW-KXUCPTDWSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H](NCC1(C)CC1)c1nccn1C 223814721 491041364 /nfs/dbraw/zinc/04/13/64/491041364.db2.gz GVVVAIDVWBFMGH-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1nccn1C 223814709 491041373 /nfs/dbraw/zinc/04/13/73/491041373.db2.gz GVVVAIDVWBFMGH-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN CC1(CNCc2ccc(CO)o2)CC1 224170237 491041480 /nfs/dbraw/zinc/04/14/80/491041480.db2.gz YCVSUVNSARCCMC-UHFFFAOYSA-N 0 3 195.262 1.662 20 0 ADADHN Cn1cc(CNCC2(C)CC2)cn1 224176317 491041482 /nfs/dbraw/zinc/04/14/82/491041482.db2.gz XSKDVOVZBWMWRN-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN Cn1cncc1CNCC1(C)CC1 224177024 491041494 /nfs/dbraw/zinc/04/14/94/491041494.db2.gz WDWKQSIRTSMXAY-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN Cn1ccc(CNCC2(C)CC2)n1 224169806 491041498 /nfs/dbraw/zinc/04/14/98/491041498.db2.gz UGZBCQKMLATDER-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN Cn1nccc1CNCC1(C)CC1 224182043 491041558 /nfs/dbraw/zinc/04/15/58/491041558.db2.gz HFRMEJJEHJXSLI-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN CCn1ccnc1CNCC1(C)CC1 224185350 491041567 /nfs/dbraw/zinc/04/15/67/491041567.db2.gz GJPHJKLUJGEPJQ-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CCn1cc(CNCC2(C)CC2)cn1 224183341 491041575 /nfs/dbraw/zinc/04/15/75/491041575.db2.gz KJTFCIYHRRMQGZ-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CC1(CNCc2ncc[nH]2)CC1 224179914 491041585 /nfs/dbraw/zinc/04/15/85/491041585.db2.gz GQIMOIVVXDCYCV-UHFFFAOYSA-N 0 3 165.240 1.299 20 0 ADADHN c1c[nH]c(CNC[C@@H]2CCSC2)n1 224430689 491041633 /nfs/dbraw/zinc/04/16/33/491041633.db2.gz ALRMRKHOMILDOZ-QMMMGPOBSA-N 0 3 197.307 1.252 20 0 ADADHN c1cc(CNC[C@@H]2CCSC2)n[nH]1 224399184 491041637 /nfs/dbraw/zinc/04/16/37/491041637.db2.gz KFQGQARZBFQRDJ-QMMMGPOBSA-N 0 3 197.307 1.252 20 0 ADADHN CCC(C)(C)CNCc1cn(C)nn1 228560772 491044470 /nfs/dbraw/zinc/04/44/70/491044470.db2.gz MTOQPHKQJUXMMZ-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN c1cc(CNC[C@H]2CCSC2)n[nH]1 224399235 491041642 /nfs/dbraw/zinc/04/16/42/491041642.db2.gz KFQGQARZBFQRDJ-MRVPVSSYSA-N 0 3 197.307 1.252 20 0 ADADHN CC1(CNCc2cc[nH]n2)CC1 224187373 491041663 /nfs/dbraw/zinc/04/16/63/491041663.db2.gz HXBUEFSAFSZFIM-UHFFFAOYSA-N 0 3 165.240 1.299 20 0 ADADHN c1c[nH]c(CNC[C@H]2CCSC2)n1 224430738 491041671 /nfs/dbraw/zinc/04/16/71/491041671.db2.gz ALRMRKHOMILDOZ-MRVPVSSYSA-N 0 3 197.307 1.252 20 0 ADADHN CC1(CNCc2ccccn2)CC1 224189242 491041693 /nfs/dbraw/zinc/04/16/93/491041693.db2.gz PXSRCNFQYWNHKV-UHFFFAOYSA-N 0 3 176.263 1.971 20 0 ADADHN CCCN1CCN(CC(C)C)CC1 224649839 491041867 /nfs/dbraw/zinc/04/18/67/491041867.db2.gz MQVXTZPRACJMNR-UHFFFAOYSA-N 0 3 184.327 1.670 20 0 ADADHN Cc1cc(Cl)ccc1CNCCO 224566414 491041924 /nfs/dbraw/zinc/04/19/24/491041924.db2.gz RXFRPLMHTYRFCY-UHFFFAOYSA-N 0 3 199.681 1.730 20 0 ADADHN CC[C@@H](C)N(C)C[C@@H](O)C(F)(F)F 225427451 491042243 /nfs/dbraw/zinc/04/22/43/491042243.db2.gz LQDXJJQTLGSUNK-RNFRBKRXSA-N 0 3 199.216 1.640 20 0 ADADHN CC[C@H](C)N(C)C[C@@H](O)C(F)(F)F 225427483 491042258 /nfs/dbraw/zinc/04/22/58/491042258.db2.gz LQDXJJQTLGSUNK-NKWVEPMBSA-N 0 3 199.216 1.640 20 0 ADADHN CC1(CNC[C@@H](O)C(F)(F)F)CC1 226375293 491042660 /nfs/dbraw/zinc/04/26/60/491042660.db2.gz JECWUVRQUXSMBP-ZCFIWIBFSA-N 0 3 197.200 1.299 20 0 ADADHN CCC1(CNCc2cn(C)nn2)CC1 226785116 491043139 /nfs/dbraw/zinc/04/31/39/491043139.db2.gz MASWJHCYCQPMGC-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN C[C@@H](NCc1ccno1)[C@H]1CCOC1 227016520 491043246 /nfs/dbraw/zinc/04/32/46/491043246.db2.gz NAIWDHCLBCDQBG-BDAKNGLRSA-N 0 3 196.250 1.189 20 0 ADADHN C[C@H](NCc1ccno1)[C@H]1CCOC1 227016527 491043259 /nfs/dbraw/zinc/04/32/59/491043259.db2.gz NAIWDHCLBCDQBG-IUCAKERBSA-N 0 3 196.250 1.189 20 0 ADADHN C[C@@H](NCc1ccno1)[C@@H]1CCOC1 227016504 491043296 /nfs/dbraw/zinc/04/32/96/491043296.db2.gz NAIWDHCLBCDQBG-RKDXNWHRSA-N 0 3 196.250 1.189 20 0 ADADHN C[C@H](O)CCCNCc1ccccn1 227963258 491044107 /nfs/dbraw/zinc/04/41/07/491044107.db2.gz FEPCTZREIDMLCT-JTQLQIEISA-N 0 3 194.278 1.332 20 0 ADADHN C[C@H](NCc1ccno1)[C@@H]1CCOC1 227016513 491043310 /nfs/dbraw/zinc/04/33/10/491043310.db2.gz NAIWDHCLBCDQBG-DTWKUNHWSA-N 0 3 196.250 1.189 20 0 ADADHN C[C@@H](O)CCCNCc1ccccn1 227963251 491044112 /nfs/dbraw/zinc/04/41/12/491044112.db2.gz FEPCTZREIDMLCT-SNVBAGLBSA-N 0 3 194.278 1.332 20 0 ADADHN Cn1nncc1CNC(C)(C)C1CC1 227126735 491043335 /nfs/dbraw/zinc/04/33/35/491043335.db2.gz HWVGILARVIJYKC-UHFFFAOYSA-N 0 3 194.282 1.093 20 0 ADADHN Cc1cncc(CN(C)[C@H](C)CO)c1 227302809 491043451 /nfs/dbraw/zinc/04/34/51/491043451.db2.gz UHUPXZJQEUJANH-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN Cc1cncc(CN(C)C[C@H](C)O)c1 227301909 491043475 /nfs/dbraw/zinc/04/34/75/491043475.db2.gz LZZSEYFYMSZWQE-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN C[C@@H](O)CCCNCc1cccnc1 227961797 491044140 /nfs/dbraw/zinc/04/41/40/491044140.db2.gz DTQKVEUOSZMSAV-SNVBAGLBSA-N 0 3 194.278 1.332 20 0 ADADHN CCN(CCO)Cc1cncc(C)c1 227301538 491043563 /nfs/dbraw/zinc/04/35/63/491043563.db2.gz NXKXVJIYFDSALG-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN C[C@@H](O)CCCNCc1ccncc1 227962134 491044174 /nfs/dbraw/zinc/04/41/74/491044174.db2.gz AFHBOQXTPPYZRB-SNVBAGLBSA-N 0 3 194.278 1.332 20 0 ADADHN C[C@H](O)CCCNCc1cccnc1 227961808 491044177 /nfs/dbraw/zinc/04/41/77/491044177.db2.gz DTQKVEUOSZMSAV-JTQLQIEISA-N 0 3 194.278 1.332 20 0 ADADHN Cc1ccc(CNCCC[C@H](C)O)o1 227961864 491044208 /nfs/dbraw/zinc/04/42/08/491044208.db2.gz CNFLAVJAAPJBAD-VIFPVBQESA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CNCCC[C@H](C)O 227958515 491043977 /nfs/dbraw/zinc/04/39/77/491043977.db2.gz QZDIHACZUZBHHE-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CNCCC[C@@H](C)O 227958503 491044002 /nfs/dbraw/zinc/04/40/02/491044002.db2.gz QZDIHACZUZBHHE-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN C[C@H](O)CCCNCc1ccsc1 227953678 491044013 /nfs/dbraw/zinc/04/40/13/491044013.db2.gz ODZUFQHRWWDVRM-VIFPVBQESA-N 0 3 199.319 1.999 20 0 ADADHN C[C@@H](O)CCCNCc1ccsc1 227953663 491044033 /nfs/dbraw/zinc/04/40/33/491044033.db2.gz ODZUFQHRWWDVRM-SECBINFHSA-N 0 3 199.319 1.999 20 0 ADADHN C[C@H](O)CCCNCc1ccncc1 227962144 491044080 /nfs/dbraw/zinc/04/40/80/491044080.db2.gz AFHBOQXTPPYZRB-JTQLQIEISA-N 0 3 194.278 1.332 20 0 ADADHN Cc1ccc(CNCCC[C@@H](C)O)o1 227961851 491044098 /nfs/dbraw/zinc/04/40/98/491044098.db2.gz CNFLAVJAAPJBAD-SECBINFHSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CNCCCCCO 228733275 491044845 /nfs/dbraw/zinc/04/48/45/491044845.db2.gz KVOPXEQJJJUSLP-UHFFFAOYSA-N 0 3 197.278 1.840 20 0 ADADHN CCn1cncc1CNC1(C)CCC1 228835780 491044868 /nfs/dbraw/zinc/04/48/68/491044868.db2.gz KCLJWYZQBFBDMZ-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CCn1cncc1CNCC=C(C)C 228835522 491044875 /nfs/dbraw/zinc/04/48/75/491044875.db2.gz RAXWSMZSJKNPMP-UHFFFAOYSA-N 0 3 193.294 1.959 20 0 ADADHN C[C@@H](NCCN(C)C)c1cncs1 229109617 491044969 /nfs/dbraw/zinc/04/49/69/491044969.db2.gz FVUCXHXCDNZWCR-MRVPVSSYSA-N 0 3 199.323 1.355 20 0 ADADHN CCn1nccc1CNCC1(C)CC1 229197705 491045014 /nfs/dbraw/zinc/04/50/14/491045014.db2.gz XHBFKRHWBZDCTR-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@H](NCCN(C)C)c1cncs1 229109626 491045061 /nfs/dbraw/zinc/04/50/61/491045061.db2.gz FVUCXHXCDNZWCR-QMMMGPOBSA-N 0 3 199.323 1.355 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1ccncc1 229373656 491045171 /nfs/dbraw/zinc/04/51/71/491045171.db2.gz MIAUPWTYAJWKKS-NXEZZACHSA-N 0 3 194.278 1.595 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1ccncc1 229373647 491045207 /nfs/dbraw/zinc/04/52/07/491045207.db2.gz MIAUPWTYAJWKKS-ZJUUUORDSA-N 0 3 194.278 1.595 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCOC[C@H]1C 306177953 491046310 /nfs/dbraw/zinc/04/63/10/491046310.db2.gz YHGILCQRXQINIE-BBBLOLIVSA-N 0 3 169.268 1.363 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCOC[C@H]1C 306177954 491046322 /nfs/dbraw/zinc/04/63/22/491046322.db2.gz YHGILCQRXQINIE-IVZWLZJFSA-N 0 3 169.268 1.363 20 0 ADADHN C[C@H]1C[C@H]1CN1CCOC[C@H]1C 306177952 491046335 /nfs/dbraw/zinc/04/63/35/491046335.db2.gz YHGILCQRXQINIE-AEJSXWLSSA-N 0 3 169.268 1.363 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCOC[C@H]1C 306177955 491046340 /nfs/dbraw/zinc/04/63/40/491046340.db2.gz YHGILCQRXQINIE-OPRDCNLKSA-N 0 3 169.268 1.363 20 0 ADADHN FCCNC1(C2CC2)CC1 306200356 491046569 /nfs/dbraw/zinc/04/65/69/491046569.db2.gz SSKCUJDAEBEZDM-UHFFFAOYSA-N 0 3 143.205 1.488 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 306229719 491046937 /nfs/dbraw/zinc/04/69/37/491046937.db2.gz IRVNKWFAYIHCMR-KXUCPTDWSA-N 0 3 198.310 1.289 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C 306229720 491046950 /nfs/dbraw/zinc/04/69/50/491046950.db2.gz IRVNKWFAYIHCMR-UTLUCORTSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H](N[C@@H]1C[C@@H]1C)c1cn[nH]c1 306229713 491046970 /nfs/dbraw/zinc/04/69/70/491046970.db2.gz IPWRKMSSTZYBIC-ACLDMZEESA-N 0 3 165.240 1.469 20 0 ADADHN C[C@H](N[C@H]1C[C@H]1C)c1cn[nH]c1 306229715 491046973 /nfs/dbraw/zinc/04/69/73/491046973.db2.gz IPWRKMSSTZYBIC-FJXKBIBVSA-N 0 3 165.240 1.469 20 0 ADADHN C[C@H](N[C@H]1C[C@@H]1C)c1cn[nH]c1 306229716 491046997 /nfs/dbraw/zinc/04/69/97/491046997.db2.gz IPWRKMSSTZYBIC-ZKWXMUAHSA-N 0 3 165.240 1.469 20 0 ADADHN C[C@H](N[C@@H]1C[C@H]1C)c1cn[nH]c1 306229714 491047014 /nfs/dbraw/zinc/04/70/14/491047014.db2.gz IPWRKMSSTZYBIC-BKPPORCPSA-N 0 3 165.240 1.469 20 0 ADADHN C[C@H](C(N)=O)N1CCC2(CCC2)CC1 306267705 491047525 /nfs/dbraw/zinc/04/75/25/491047525.db2.gz IYSAISXVYCHMPU-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@@H](C(N)=O)N1CCC2(CCC2)CC1 306267711 491047561 /nfs/dbraw/zinc/04/75/61/491047561.db2.gz IYSAISXVYCHMPU-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN Nc1cc(CN2CC=CCC2)ccn1 306276929 491047771 /nfs/dbraw/zinc/04/77/71/491047771.db2.gz HGYHIGBWIUQQLK-UHFFFAOYSA-N 0 3 189.262 1.426 20 0 ADADHN c1n[nH]cc1CN1C2CCC1CC2 306273656 491047796 /nfs/dbraw/zinc/04/77/96/491047796.db2.gz ZYGOYDMQQNZXEN-UHFFFAOYSA-N 0 3 177.251 1.537 20 0 ADADHN c1nc(CN[C@H]2CCC[C@H]3C[C@H]32)co1 306304060 491048239 /nfs/dbraw/zinc/04/82/39/491048239.db2.gz OKDXJDHMYZTRPS-GDPRMGEGSA-N 0 3 192.262 1.953 20 0 ADADHN FCCCN1CCc2c[nH]nc2C1 306446943 491051177 /nfs/dbraw/zinc/05/11/77/491051177.db2.gz SXCNYZAVFMXUPU-UHFFFAOYSA-N 0 3 183.230 1.127 20 0 ADADHN C[C@H]1C[C@H]1CN1C[C@@H](C)OC[C@@H]1C 306456518 491051594 /nfs/dbraw/zinc/05/15/94/491051594.db2.gz SRRJXFROQHXUKP-MMWGEVLESA-N 0 3 183.295 1.752 20 0 ADADHN CC(C)CN1CCO[C@H](C(C)C)C1 306567271 491053462 /nfs/dbraw/zinc/05/34/62/491053462.db2.gz BRGPNIQHDHZIDE-NSHDSACASA-N 0 3 185.311 1.999 20 0 ADADHN Cc1cc(CN[C@@H]2CC[C@H]2C)on1 306405186 491050263 /nfs/dbraw/zinc/05/02/63/491050263.db2.gz WJHVDGSSNVRLSS-GMSGAONNSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1cc(CN[C@H]2CC[C@@H]2C)on1 306405189 491050224 /nfs/dbraw/zinc/05/02/24/491050224.db2.gz WJHVDGSSNVRLSS-XVKPBYJWSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1cc(CN[C@H]2CC[C@H]2C)on1 306405188 491050231 /nfs/dbraw/zinc/05/02/31/491050231.db2.gz WJHVDGSSNVRLSS-XCBNKYQSSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1cc(CN[C@@H]2CC[C@@H]2C)on1 306405187 491050278 /nfs/dbraw/zinc/05/02/78/491050278.db2.gz WJHVDGSSNVRLSS-OIBJUYFYSA-N 0 3 180.251 1.871 20 0 ADADHN CC1=CCCN(Cc2cn[nH]c2)C1 306416840 491050375 /nfs/dbraw/zinc/05/03/75/491050375.db2.gz SAZSVKUQKVVIFA-UHFFFAOYSA-N 0 3 177.251 1.562 20 0 ADADHN CCN1CCN(CC2(C)CC2)CC1 306412016 491050419 /nfs/dbraw/zinc/05/04/19/491050419.db2.gz LEHDRYODUFEZDR-UHFFFAOYSA-N 0 3 182.311 1.424 20 0 ADADHN CC[C@@H]1COCCN1C[C@@H]1C[C@H]1C 306426535 491050852 /nfs/dbraw/zinc/05/08/52/491050852.db2.gz KIVOIJHOBGKRSY-OUAUKWLOSA-N 0 3 183.295 1.753 20 0 ADADHN C[C@H]1CN(C[C@@H]2C[C@@H]2C)C[C@@H](C)O1 306677396 491054418 /nfs/dbraw/zinc/05/44/18/491054418.db2.gz YQWGNIYNEYQFDM-MMWGEVLESA-N 0 3 183.295 1.752 20 0 ADADHN CC[C@@H]1COCCN1C[C@H]1C[C@@H]1C 306426534 491050887 /nfs/dbraw/zinc/05/08/87/491050887.db2.gz KIVOIJHOBGKRSY-HBNTYKKESA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1COCCN1C[C@H]1C[C@H]1C 306426533 491050962 /nfs/dbraw/zinc/05/09/62/491050962.db2.gz KIVOIJHOBGKRSY-GMTAPVOTSA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1COCCN1C[C@@H]1C[C@@H]1C 306426532 491050980 /nfs/dbraw/zinc/05/09/80/491050980.db2.gz KIVOIJHOBGKRSY-GARJFASQSA-N 0 3 183.295 1.753 20 0 ADADHN CCOc1ccc2c(c1)OCCNC2 306625521 491054085 /nfs/dbraw/zinc/05/40/85/491054085.db2.gz GZBPINMYEPRLGF-UHFFFAOYSA-N 0 3 193.246 1.567 20 0 ADADHN CC1(CN2CCOC(C)(C)C2)CC1 306444100 491051200 /nfs/dbraw/zinc/05/12/00/491051200.db2.gz OAVHHGXKVQCWMQ-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@@H]1CN(C[C@@H]2C[C@H]2C)[C@H](C)CO1 306456516 491051537 /nfs/dbraw/zinc/05/15/37/491051537.db2.gz SRRJXFROQHXUKP-DBIOUOCHSA-N 0 3 183.295 1.752 20 0 ADADHN C[C@H]1CO[C@H](C)CN1C[C@@H]1C[C@H]1C 306456520 491051612 /nfs/dbraw/zinc/05/16/12/491051612.db2.gz SRRJXFROQHXUKP-YTWAJWBKSA-N 0 3 183.295 1.752 20 0 ADADHN C[C@H]1C[C@H]1CN1C[C@@H](C)OC[C@H]1C 306456522 491051619 /nfs/dbraw/zinc/05/16/19/491051619.db2.gz SRRJXFROQHXUKP-ZDCRXTMVSA-N 0 3 183.295 1.752 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](C)N)C1 306463508 491051625 /nfs/dbraw/zinc/05/16/25/491051625.db2.gz HGSXNFCPFJNPGS-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CN(C[C@@H]2C[C@H]2C)C[C@@H](C)O1 306677398 491054437 /nfs/dbraw/zinc/05/44/37/491054437.db2.gz YQWGNIYNEYQFDM-ZNSHCXBVSA-N 0 3 183.295 1.752 20 0 ADADHN CCCCN1CCc2c[nH]nc2C1 306488198 491051998 /nfs/dbraw/zinc/05/19/98/491051998.db2.gz KQCVALCGDDQNQU-UHFFFAOYSA-N 0 3 179.267 1.568 20 0 ADADHN CC[C@@H]1CN(C[C@H]2C[C@H]2C)CCO1 306644489 491054220 /nfs/dbraw/zinc/05/42/20/491054220.db2.gz ZTICDYKKTXLMGF-GMTAPVOTSA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1CN(C[C@H]2C[C@@H]2C)CCO1 306644490 491054226 /nfs/dbraw/zinc/05/42/26/491054226.db2.gz ZTICDYKKTXLMGF-HBNTYKKESA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1CN(C[C@@H]2C[C@@H]2C)CCO1 306644488 491054271 /nfs/dbraw/zinc/05/42/71/491054271.db2.gz ZTICDYKKTXLMGF-GARJFASQSA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1CN(C[C@@H]2C[C@H]2C)CCO1 306644491 491054281 /nfs/dbraw/zinc/05/42/81/491054281.db2.gz ZTICDYKKTXLMGF-OUAUKWLOSA-N 0 3 183.295 1.753 20 0 ADADHN CN(Cc1cn[nH]c1)C1CCC1 306514302 491052627 /nfs/dbraw/zinc/05/26/27/491052627.db2.gz UEGHYQXNOANYKW-UHFFFAOYSA-N 0 3 165.240 1.394 20 0 ADADHN C[C@@H]1CN(CC2CCC2)CCO1 306552455 491053152 /nfs/dbraw/zinc/05/31/52/491053152.db2.gz YYGDQGWNXCNULJ-SECBINFHSA-N 0 3 169.268 1.507 20 0 ADADHN CC(C)CN1CCO[C@@H](C(C)C)C1 306567270 491053421 /nfs/dbraw/zinc/05/34/21/491053421.db2.gz BRGPNIQHDHZIDE-LLVKDONJSA-N 0 3 185.311 1.999 20 0 ADADHN COCC1(NCc2ccccc2)CC1 306716912 491054881 /nfs/dbraw/zinc/05/48/81/491054881.db2.gz UJTFKRVYGQOVJV-UHFFFAOYSA-N 0 3 191.274 1.955 20 0 ADADHN CC[C@H]1CCN(Cc2cn[nH]c2)C1 306711868 491054942 /nfs/dbraw/zinc/05/49/42/491054942.db2.gz NXPGKWYWJBLBMV-VIFPVBQESA-N 0 3 179.267 1.642 20 0 ADADHN CC[C@@H]1CCN(Cc2cn[nH]c2)C1 306711867 491054949 /nfs/dbraw/zinc/05/49/49/491054949.db2.gz NXPGKWYWJBLBMV-SECBINFHSA-N 0 3 179.267 1.642 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)NC1CCC1 306738660 491055047 /nfs/dbraw/zinc/05/50/47/491055047.db2.gz BVNJWHFSXXKIQV-SSDOTTSWSA-N 0 3 179.267 1.921 20 0 ADADHN Cc1n[nH]cc1[C@H](C)NC1CCC1 306738661 491055129 /nfs/dbraw/zinc/05/51/29/491055129.db2.gz BVNJWHFSXXKIQV-ZETCQYMHSA-N 0 3 179.267 1.921 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cocn1 307198476 491059265 /nfs/dbraw/zinc/05/92/65/491059265.db2.gz XWTBKCYHCBEWMD-WCBMZHEXSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cocn1 307198475 491059304 /nfs/dbraw/zinc/05/93/04/491059304.db2.gz XWTBKCYHCBEWMD-SCZZXKLOSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cocn1 307198477 491059311 /nfs/dbraw/zinc/05/93/11/491059311.db2.gz XWTBKCYHCBEWMD-WPRPVWTQSA-N 0 3 180.251 1.953 20 0 ADADHN Cc1cc(CNC2CC(C)(C)C2)[nH]n1 307201023 491059366 /nfs/dbraw/zinc/05/93/66/491059366.db2.gz DPJJKYUPIQIWMU-UHFFFAOYSA-N 0 3 193.294 1.996 20 0 ADADHN C[C@H]1CN(C[C@H]2C[C@@H]2C)C[C@@H](C)O1 306826026 491056102 /nfs/dbraw/zinc/05/61/02/491056102.db2.gz YQWGNIYNEYQFDM-UKKRHICBSA-N 0 3 183.295 1.752 20 0 ADADHN CC[C@H]1CN(CC2(C)CC2)CCO1 306840671 491056118 /nfs/dbraw/zinc/05/61/18/491056118.db2.gz DXULIWSBZCIQGC-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1CN(C[C@H]2C[C@H]2C)C[C@@H](C)O1 306825924 491056126 /nfs/dbraw/zinc/05/61/26/491056126.db2.gz YQWGNIYNEYQFDM-CHWFTXMASA-N 0 3 183.295 1.752 20 0 ADADHN CC[C@@H]1CN(CC2(C)CC2)CCO1 306840682 491056240 /nfs/dbraw/zinc/05/62/40/491056240.db2.gz DXULIWSBZCIQGC-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN CC(C)CN1CCOC[C@H]1C 306930324 491056858 /nfs/dbraw/zinc/05/68/58/491056858.db2.gz BGXABNWLAGPLMH-SECBINFHSA-N 0 3 157.257 1.363 20 0 ADADHN Cc1cc(CNC2CC(C)C2)ncn1 307209917 491059472 /nfs/dbraw/zinc/05/94/72/491059472.db2.gz PXDOSLQHPDSYML-UHFFFAOYSA-N 0 3 191.278 1.673 20 0 ADADHN c1n[nH]cc1CN1CCCCCC1 307207001 491059502 /nfs/dbraw/zinc/05/95/02/491059502.db2.gz IDRDMHIEUAYTLJ-UHFFFAOYSA-N 0 3 179.267 1.786 20 0 ADADHN Cc1cc(CNC2CCCC2)ncn1 307077971 491058399 /nfs/dbraw/zinc/05/83/99/491058399.db2.gz GNXPPZZUAARWGF-UHFFFAOYSA-N 0 3 191.278 1.817 20 0 ADADHN CC1(C)[C@H]2OCC[C@H]2[C@H]1NCCF 307148601 491058882 /nfs/dbraw/zinc/05/88/82/491058882.db2.gz PVWOUIUUOQRLPF-YIZRAAEISA-N 0 3 187.258 1.359 20 0 ADADHN C[C@H]1CSC[C@H]1NCc1cn[nH]c1 307164596 491058991 /nfs/dbraw/zinc/05/89/91/491058991.db2.gz MKKUVAPUXBPZOQ-IONNQARKSA-N 0 3 197.307 1.251 20 0 ADADHN C[C@@H]1CSC[C@@H]1NCc1cn[nH]c1 307164594 491058997 /nfs/dbraw/zinc/05/89/97/491058997.db2.gz MKKUVAPUXBPZOQ-APPZFPTMSA-N 0 3 197.307 1.251 20 0 ADADHN C[C@@H]1CSC[C@H]1NCc1cn[nH]c1 307164597 491059026 /nfs/dbraw/zinc/05/90/26/491059026.db2.gz MKKUVAPUXBPZOQ-VXNVDRBHSA-N 0 3 197.307 1.251 20 0 ADADHN C[C@H]1CSC[C@@H]1NCc1cn[nH]c1 307164595 491059028 /nfs/dbraw/zinc/05/90/28/491059028.db2.gz MKKUVAPUXBPZOQ-CBAPKCEASA-N 0 3 197.307 1.251 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cocn1 307198474 491059249 /nfs/dbraw/zinc/05/92/49/491059249.db2.gz XWTBKCYHCBEWMD-PSASIEDQSA-N 0 3 180.251 1.953 20 0 ADADHN CC1(C)[C@H](NCCF)[C@@H]2CCO[C@H]21 307233172 491059773 /nfs/dbraw/zinc/05/97/73/491059773.db2.gz PVWOUIUUOQRLPF-DJLDLDEBSA-N 0 3 187.258 1.359 20 0 ADADHN CC1(C)[C@H](NCCF)[C@H]2CCO[C@H]21 307233176 491059812 /nfs/dbraw/zinc/05/98/12/491059812.db2.gz PVWOUIUUOQRLPF-IWSPIJDZSA-N 0 3 187.258 1.359 20 0 ADADHN CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCCF 307233173 491059854 /nfs/dbraw/zinc/05/98/54/491059854.db2.gz PVWOUIUUOQRLPF-HLTSFMKQSA-N 0 3 187.258 1.359 20 0 ADADHN FCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 307338026 491060906 /nfs/dbraw/zinc/06/09/06/491060906.db2.gz UKSMAZLPUKTAGS-OPRDCNLKSA-N 0 3 199.269 1.503 20 0 ADADHN CC[C@](C)(N)c1cn(C(C)C)nn1 307350839 491060937 /nfs/dbraw/zinc/06/09/37/491060937.db2.gz ZHSCPKFLYMVSLJ-VIFPVBQESA-N 0 3 182.271 1.443 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1C 307343571 491060956 /nfs/dbraw/zinc/06/09/56/491060956.db2.gz IXOKJAYUUYPNRE-YIZRAAEISA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@@H](C)CC[C@H]1C 307343570 491060979 /nfs/dbraw/zinc/06/09/79/491060979.db2.gz IXOKJAYUUYPNRE-HRDYMLBCSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@H](N)C(=O)N1[C@@H](C)CC[C@@H]1C 307343568 491061026 /nfs/dbraw/zinc/06/10/26/491061026.db2.gz IXOKJAYUUYPNRE-CIUDSAMLSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@H](N)C(=O)N1[C@H](C)CC[C@H]1C 307343569 491061038 /nfs/dbraw/zinc/06/10/38/491061038.db2.gz IXOKJAYUUYPNRE-HLTSFMKQSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@@](C)(N)c1cn(C(C)C)nn1 307350838 491061048 /nfs/dbraw/zinc/06/10/48/491061048.db2.gz ZHSCPKFLYMVSLJ-SECBINFHSA-N 0 3 182.271 1.443 20 0 ADADHN Cc1cncc(N[C@@H](C)CN(C)C)n1 307362263 491061121 /nfs/dbraw/zinc/06/11/21/491061121.db2.gz GCSPONOMKGQJFN-VIFPVBQESA-N 0 3 194.282 1.147 20 0 ADADHN C[C@@H]1OCCN(C[C@H]2C[C@H]2C)[C@H]1C 307462052 491061988 /nfs/dbraw/zinc/06/19/88/491061988.db2.gz FTQQUQQGKHXJIL-VPOLOUISSA-N 0 3 183.295 1.752 20 0 ADADHN C[C@H]1[C@@H](C)OCCN1C[C@H]1C[C@H]1C 307462050 491062005 /nfs/dbraw/zinc/06/20/05/491062005.db2.gz FTQQUQQGKHXJIL-LMLFDSFASA-N 0 3 183.295 1.752 20 0 ADADHN Cc1cnc(NCCN(C)C)nc1C 307455829 491062022 /nfs/dbraw/zinc/06/20/22/491062022.db2.gz CYFZXQIUOIPJBK-UHFFFAOYSA-N 0 3 194.282 1.067 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCO[C@H](C)[C@H]1C 307462047 491062079 /nfs/dbraw/zinc/06/20/79/491062079.db2.gz FTQQUQQGKHXJIL-GWOFURMSSA-N 0 3 183.295 1.752 20 0 ADADHN C[C@@H]1OCCN(C[C@H]2C[C@H]2C)[C@@H]1C 307462045 491062087 /nfs/dbraw/zinc/06/20/87/491062087.db2.gz FTQQUQQGKHXJIL-CHWFTXMASA-N 0 3 183.295 1.752 20 0 ADADHN Cc1cnn(C)c1CNC1CC=CC1 307503085 491062912 /nfs/dbraw/zinc/06/29/12/491062912.db2.gz JLFHTJPIFRXVRF-UHFFFAOYSA-N 0 3 191.278 1.537 20 0 ADADHN Cc1cnn(C)c1CNC1(C)CCC1 307556273 491064023 /nfs/dbraw/zinc/06/40/23/491064023.db2.gz OIFPRFUKIATKFY-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN FCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 307567607 491064091 /nfs/dbraw/zinc/06/40/91/491064091.db2.gz UKSMAZLPUKTAGS-BBBLOLIVSA-N 0 3 199.269 1.503 20 0 ADADHN C[C@@H]1CCCCN1Cc1cn[nH]c1 307566716 491064108 /nfs/dbraw/zinc/06/41/08/491064108.db2.gz DBYXQZVJEMOWRR-SECBINFHSA-N 0 3 179.267 1.784 20 0 ADADHN FCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 307567608 491064118 /nfs/dbraw/zinc/06/41/18/491064118.db2.gz UKSMAZLPUKTAGS-IVZWLZJFSA-N 0 3 199.269 1.503 20 0 ADADHN C[C@H]1CCCCN1Cc1cn[nH]c1 307566717 491064156 /nfs/dbraw/zinc/06/41/56/491064156.db2.gz DBYXQZVJEMOWRR-VIFPVBQESA-N 0 3 179.267 1.784 20 0 ADADHN C[C@@H]1OCC[C@@]1(C)NCc1cn[nH]c1 307631179 491065884 /nfs/dbraw/zinc/06/58/84/491065884.db2.gz ZLNSJARRXXQFTB-WCBMZHEXSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1OCC[C@@]1(C)NCc1cn[nH]c1 307631177 491065915 /nfs/dbraw/zinc/06/59/15/491065915.db2.gz ZLNSJARRXXQFTB-PSASIEDQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1OCC[C@]1(C)NCc1cn[nH]c1 307631178 491065927 /nfs/dbraw/zinc/06/59/27/491065927.db2.gz ZLNSJARRXXQFTB-SCZZXKLOSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1OCC[C@]1(C)NCc1cn[nH]c1 307631180 491065931 /nfs/dbraw/zinc/06/59/31/491065931.db2.gz ZLNSJARRXXQFTB-WPRPVWTQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1CCCN(Cc2cn[nH]c2)C1 307646868 491066438 /nfs/dbraw/zinc/06/64/38/491066438.db2.gz NDDDAXBNIYAUHF-SECBINFHSA-N 0 3 179.267 1.642 20 0 ADADHN CCN(CC)Cc1cn[nH]c1 307668327 491066870 /nfs/dbraw/zinc/06/68/70/491066870.db2.gz JXAPOEFNPOQCII-UHFFFAOYSA-N 0 3 153.229 1.252 20 0 ADADHN CO[C@H](C)[C@@H](C)NC1CSC1 307692094 491067991 /nfs/dbraw/zinc/06/79/91/491067991.db2.gz RBFBYESLBWKZNN-RNFRBKRXSA-N 0 3 175.297 1.115 20 0 ADADHN CO[C@@H](C)[C@@H](C)NC1CSC1 307692095 491068007 /nfs/dbraw/zinc/06/80/07/491068007.db2.gz RBFBYESLBWKZNN-RQJHMYQMSA-N 0 3 175.297 1.115 20 0 ADADHN CN(CCCF)[C@@H]1CCOC1 307694211 491068089 /nfs/dbraw/zinc/06/80/89/491068089.db2.gz VRAHSMWOCSOLJF-MRVPVSSYSA-N 0 3 161.220 1.067 20 0 ADADHN Cc1c[nH]nc1CNC1(C)CCC1 307694810 491068110 /nfs/dbraw/zinc/06/81/10/491068110.db2.gz XYORWHGSFGPIHR-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN CN(CCCF)[C@H]1CCOC1 307694212 491068220 /nfs/dbraw/zinc/06/82/20/491068220.db2.gz VRAHSMWOCSOLJF-QMMMGPOBSA-N 0 3 161.220 1.067 20 0 ADADHN C[C@H]1CN(CCC(F)(F)F)C[C@H]1O 307759535 491070497 /nfs/dbraw/zinc/07/04/97/491070497.db2.gz SCBSZDKBLQCAQJ-NKWVEPMBSA-N 0 3 197.200 1.251 20 0 ADADHN C[C@H]1CN(CCC(F)(F)F)C[C@@H]1O 307759534 491070523 /nfs/dbraw/zinc/07/05/23/491070523.db2.gz SCBSZDKBLQCAQJ-BQBZGAKWSA-N 0 3 197.200 1.251 20 0 ADADHN C[C@@H]1CN(CCC(F)(F)F)C[C@H]1O 307759536 491070530 /nfs/dbraw/zinc/07/05/30/491070530.db2.gz SCBSZDKBLQCAQJ-RNFRBKRXSA-N 0 3 197.200 1.251 20 0 ADADHN CO[C@H](C)[C@H](C)NC1CSC1 307703342 491068547 /nfs/dbraw/zinc/06/85/47/491068547.db2.gz RBFBYESLBWKZNN-NKWVEPMBSA-N 0 3 175.297 1.115 20 0 ADADHN CN(C)CCSc1ncco1 307702688 491068583 /nfs/dbraw/zinc/06/85/83/491068583.db2.gz PTAVWPAVQVHXOB-UHFFFAOYSA-N 0 3 172.253 1.328 20 0 ADADHN CO[C@@H](C)[C@H](C)NC1CSC1 307703341 491068652 /nfs/dbraw/zinc/06/86/52/491068652.db2.gz RBFBYESLBWKZNN-BQBZGAKWSA-N 0 3 175.297 1.115 20 0 ADADHN FCCCCN1CCSCC1 307706159 491068676 /nfs/dbraw/zinc/06/86/76/491068676.db2.gz XAPPBOQAEYPOKV-UHFFFAOYSA-N 0 3 177.288 1.785 20 0 ADADHN Cc1ccc(CNC2CSC2)cn1 307707110 491068773 /nfs/dbraw/zinc/06/87/73/491068773.db2.gz GTERUKNXJPVRBV-UHFFFAOYSA-N 0 3 194.303 1.595 20 0 ADADHN Cc1cnc(NCCN(C)C)s1 307717514 491068965 /nfs/dbraw/zinc/06/89/65/491068965.db2.gz JPYAXTQEZJRVBO-UHFFFAOYSA-N 0 3 185.296 1.425 20 0 ADADHN C[C@@H]1CN(CCC(F)(F)F)C[C@@H]1O 307759537 491070591 /nfs/dbraw/zinc/07/05/91/491070591.db2.gz SCBSZDKBLQCAQJ-RQJHMYQMSA-N 0 3 197.200 1.251 20 0 ADADHN CN1CCN(CC2(C)CC2)CC1 307727009 491069061 /nfs/dbraw/zinc/06/90/61/491069061.db2.gz CURCNXQRDWRADW-UHFFFAOYSA-N 0 3 168.284 1.034 20 0 ADADHN Cc1cnc(NC[C@@H](C)N(C)C)s1 307744463 491069714 /nfs/dbraw/zinc/06/97/14/491069714.db2.gz OVKSXMUKTZEYQN-SSDOTTSWSA-N 0 3 199.323 1.814 20 0 ADADHN CC1(C)CCN(Cc2cn[nH]c2)C1 307751937 491070277 /nfs/dbraw/zinc/07/02/77/491070277.db2.gz PVTZCUXYPRFEHZ-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN C1=C(CNC2CSC2)COCC1 307751098 491070201 /nfs/dbraw/zinc/07/02/01/491070201.db2.gz MLTBNWDBMMFJFY-UHFFFAOYSA-N 0 3 185.292 1.038 20 0 ADADHN CCOC[C@H](C)N[C@H](C)CF 307905435 491071228 /nfs/dbraw/zinc/07/12/28/491071228.db2.gz RFVKQQVKXQYKJE-SFYZADRCSA-N 0 3 163.236 1.359 20 0 ADADHN CCOC[C@@H](C)N[C@H](C)CF 307905432 491071243 /nfs/dbraw/zinc/07/12/43/491071243.db2.gz RFVKQQVKXQYKJE-HTQZYQBOSA-N 0 3 163.236 1.359 20 0 ADADHN CCN(CC)Cc1cncn1C 307926875 491071511 /nfs/dbraw/zinc/07/15/11/491071511.db2.gz PEYFWRVRSCYZAZ-UHFFFAOYSA-N 0 3 167.256 1.262 20 0 ADADHN CC[C@@H](C)N(C)Cc1cn[nH]c1 307945797 491072100 /nfs/dbraw/zinc/07/21/00/491072100.db2.gz ISTPDYKYCQGXLE-MRVPVSSYSA-N 0 3 167.256 1.640 20 0 ADADHN CC[C@H](C)N(C)Cc1cn[nH]c1 307945798 491072141 /nfs/dbraw/zinc/07/21/41/491072141.db2.gz ISTPDYKYCQGXLE-QMMMGPOBSA-N 0 3 167.256 1.640 20 0 ADADHN CCCN(CC)Cc1cn[nH]c1 307955248 491072762 /nfs/dbraw/zinc/07/27/62/491072762.db2.gz QUOHYBROULNYGI-UHFFFAOYSA-N 0 3 167.256 1.642 20 0 ADADHN C[C@H](O)CCCN1CCSCC1 307961575 491073066 /nfs/dbraw/zinc/07/30/66/491073066.db2.gz MAKOFXHUZCUSND-VIFPVBQESA-N 0 3 189.324 1.196 20 0 ADADHN C[C@@H](O)CCCN1CCSCC1 307961574 491073085 /nfs/dbraw/zinc/07/30/85/491073085.db2.gz MAKOFXHUZCUSND-SECBINFHSA-N 0 3 189.324 1.196 20 0 ADADHN CC[C@H]1COCCN1CCCF 307962514 491073313 /nfs/dbraw/zinc/07/33/13/491073313.db2.gz YDMPVZXPCYJCKS-VIFPVBQESA-N 0 3 175.247 1.457 20 0 ADADHN CC[C@@H]1COCCN1CCCF 307962513 491073382 /nfs/dbraw/zinc/07/33/82/491073382.db2.gz YDMPVZXPCYJCKS-SECBINFHSA-N 0 3 175.247 1.457 20 0 ADADHN CC(C)OC1CC(NCCF)C1 307963205 491073385 /nfs/dbraw/zinc/07/33/85/491073385.db2.gz OFHPBSGUMFYBBX-UHFFFAOYSA-N 0 3 175.247 1.502 20 0 ADADHN COC[C@H](C)NC1CC(F)(F)C1 307970385 491073888 /nfs/dbraw/zinc/07/38/88/491073888.db2.gz GQZPJASBEXIRLJ-LURJTMIESA-N 0 3 179.210 1.409 20 0 ADADHN COC[C@@H](C)NC1CC(F)(F)C1 307970386 491073893 /nfs/dbraw/zinc/07/38/93/491073893.db2.gz GQZPJASBEXIRLJ-ZCFIWIBFSA-N 0 3 179.210 1.409 20 0 ADADHN CCCC[C@@H](COC)NCCF 307989043 491075007 /nfs/dbraw/zinc/07/50/07/491075007.db2.gz SKMDRDFWCLVVHF-VIFPVBQESA-N 0 3 177.263 1.751 20 0 ADADHN CCCC[C@H](COC)NCCF 307989040 491075028 /nfs/dbraw/zinc/07/50/28/491075028.db2.gz SKMDRDFWCLVVHF-SECBINFHSA-N 0 3 177.263 1.751 20 0 ADADHN CCCCN1CCSC[C@H]1CO 307996184 491075097 /nfs/dbraw/zinc/07/50/97/491075097.db2.gz WJTYUFDGQGIDEU-SECBINFHSA-N 0 3 189.324 1.196 20 0 ADADHN CCCCN1CCSC[C@@H]1CO 307996186 491075105 /nfs/dbraw/zinc/07/51/05/491075105.db2.gz WJTYUFDGQGIDEU-VIFPVBQESA-N 0 3 189.324 1.196 20 0 ADADHN CC[C@H](NCCF)[C@@H]1CCCO1 307998418 491075315 /nfs/dbraw/zinc/07/53/15/491075315.db2.gz XUXUQCWGVKHABC-IUCAKERBSA-N 0 3 175.247 1.503 20 0 ADADHN CN(CCCF)C[C@H]1CCCO1 307999896 491075360 /nfs/dbraw/zinc/07/53/60/491075360.db2.gz YSZJFNGRTDBPSH-SECBINFHSA-N 0 3 175.247 1.457 20 0 ADADHN CC[C@@H](NCCF)[C@@H]1CCCO1 307998416 491075371 /nfs/dbraw/zinc/07/53/71/491075371.db2.gz XUXUQCWGVKHABC-BDAKNGLRSA-N 0 3 175.247 1.503 20 0 ADADHN CC[C@@H](NCCF)[C@H]1CCCO1 307998419 491075406 /nfs/dbraw/zinc/07/54/06/491075406.db2.gz XUXUQCWGVKHABC-RKDXNWHRSA-N 0 3 175.247 1.503 20 0 ADADHN CC[C@H](NCCF)[C@H]1CCCO1 307998417 491075415 /nfs/dbraw/zinc/07/54/15/491075415.db2.gz XUXUQCWGVKHABC-DTWKUNHWSA-N 0 3 175.247 1.503 20 0 ADADHN CCCCCN1CCOC[C@H]1C 307999893 491075422 /nfs/dbraw/zinc/07/54/22/491075422.db2.gz YSVIZSIQMZFQBM-SNVBAGLBSA-N 0 3 171.284 1.897 20 0 ADADHN CCCN(C)Cc1c[nH]nc1C 308005471 491075881 /nfs/dbraw/zinc/07/58/81/491075881.db2.gz CZCGMUUUMPQKLS-UHFFFAOYSA-N 0 3 167.256 1.560 20 0 ADADHN CCN(Cc1cn[nH]c1)C1CC1 308036917 491076512 /nfs/dbraw/zinc/07/65/12/491076512.db2.gz KYZDRFVTHUIHQB-UHFFFAOYSA-N 0 3 165.240 1.394 20 0 ADADHN CC[C@H](C)N(C)Cc1c[nH]cn1 308043236 491076699 /nfs/dbraw/zinc/07/66/99/491076699.db2.gz OHGOUOBMYSIGNN-QMMMGPOBSA-N 0 3 167.256 1.640 20 0 ADADHN CC[C@H](C)N(C)Cc1cnc[nH]1 308043236 491076700 /nfs/dbraw/zinc/07/67/00/491076700.db2.gz OHGOUOBMYSIGNN-QMMMGPOBSA-N 0 3 167.256 1.640 20 0 ADADHN CC(C)CC[C@H](O)CN1CCC1 308043028 491076753 /nfs/dbraw/zinc/07/67/53/491076753.db2.gz OEWJHBQGZUDGRN-JTQLQIEISA-N 0 3 171.284 1.489 20 0 ADADHN CC[C@@H](C)N(C)Cc1c[nH]cn1 308043229 491076767 /nfs/dbraw/zinc/07/67/67/491076767.db2.gz OHGOUOBMYSIGNN-MRVPVSSYSA-N 0 3 167.256 1.640 20 0 ADADHN CC[C@@H](C)N(C)Cc1cnc[nH]1 308043229 491076768 /nfs/dbraw/zinc/07/67/68/491076768.db2.gz OHGOUOBMYSIGNN-MRVPVSSYSA-N 0 3 167.256 1.640 20 0 ADADHN CC(C)CC[C@@H](O)CN1CCC1 308043029 491076800 /nfs/dbraw/zinc/07/68/00/491076800.db2.gz OEWJHBQGZUDGRN-SNVBAGLBSA-N 0 3 171.284 1.489 20 0 ADADHN C[C@H](CF)NCC1=CCCOC1 308064754 491077400 /nfs/dbraw/zinc/07/74/00/491077400.db2.gz XZYBIRLESDDYNC-MRVPVSSYSA-N 0 3 173.231 1.281 20 0 ADADHN Cc1cc(CN(C)CCO)cs1 308071364 491077675 /nfs/dbraw/zinc/07/76/75/491077675.db2.gz BNFPEKFRGUTUAC-UHFFFAOYSA-N 0 3 185.292 1.481 20 0 ADADHN OC[C@@H](NCCF)C1CCCC1 308088459 491077815 /nfs/dbraw/zinc/07/78/15/491077815.db2.gz QVTKPUNMGVRMCO-SECBINFHSA-N 0 3 175.247 1.097 20 0 ADADHN OC[C@H](NCCF)C1CCCC1 308088460 491077830 /nfs/dbraw/zinc/07/78/30/491077830.db2.gz QVTKPUNMGVRMCO-VIFPVBQESA-N 0 3 175.247 1.097 20 0 ADADHN FC(F)COCCN1CCCC1 308092861 491078021 /nfs/dbraw/zinc/07/80/21/491078021.db2.gz VHMGBAOZJSYGBY-UHFFFAOYSA-N 0 3 179.210 1.364 20 0 ADADHN Cc1ccsc1CN(C)C[C@H](C)O 308101753 491078336 /nfs/dbraw/zinc/07/83/36/491078336.db2.gz HYHPYGQKFPYSIP-VIFPVBQESA-N 0 3 199.319 1.869 20 0 ADADHN CC(C)CN(C)Cc1c[nH]cn1 308124423 491078709 /nfs/dbraw/zinc/07/87/09/491078709.db2.gz UELOVUOJIFFSRB-UHFFFAOYSA-N 0 3 167.256 1.498 20 0 ADADHN CC(C)CN(C)Cc1cnc[nH]1 308124423 491078710 /nfs/dbraw/zinc/07/87/10/491078710.db2.gz UELOVUOJIFFSRB-UHFFFAOYSA-N 0 3 167.256 1.498 20 0 ADADHN CC(C)CN(C)Cc1ccnn1C 308130244 491079079 /nfs/dbraw/zinc/07/90/79/491079079.db2.gz AHEWFPWMBZWMGW-UHFFFAOYSA-N 0 3 181.283 1.508 20 0 ADADHN CC(C)CCCNC1(C(N)=O)CC1 308134195 491079468 /nfs/dbraw/zinc/07/94/68/491079468.db2.gz DCOBQDKGCYVLQF-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)(NCCO)c1cccs1 308133986 491079536 /nfs/dbraw/zinc/07/95/36/491079536.db2.gz YYJNLGQICMFKQP-UHFFFAOYSA-N 0 3 185.292 1.565 20 0 ADADHN CC(C)N(C)CC(=O)N(C)C(C)C 308141724 491080232 /nfs/dbraw/zinc/08/02/32/491080232.db2.gz JAMAKMSOVWLDJO-UHFFFAOYSA-N 0 3 186.299 1.193 20 0 ADADHN CC(C)CCN(CC(N)=O)C(C)C 308142924 491080236 /nfs/dbraw/zinc/08/02/36/491080236.db2.gz JTTMRSIZZRERTF-UHFFFAOYSA-N 0 3 186.299 1.228 20 0 ADADHN CC(C)CC(=O)N[C@@H](C)CN(C)C 308144156 491080660 /nfs/dbraw/zinc/08/06/60/491080660.db2.gz KLWBPAHUZLUZBQ-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)CCN(C)CC(=O)N(C)C 308153457 491081113 /nfs/dbraw/zinc/08/11/13/491081113.db2.gz PTXJNVYOVRYNKG-UHFFFAOYSA-N 0 3 186.299 1.053 20 0 ADADHN CC(C)CCN(C)Cc1cn[nH]c1 308150868 491081173 /nfs/dbraw/zinc/08/11/73/491081173.db2.gz ODHCXSBGBBVOQV-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CC(C)(NCc1ccon1)C1CC1 308157959 491081541 /nfs/dbraw/zinc/08/15/41/491081541.db2.gz SNIWPTRXSYRTAF-UHFFFAOYSA-N 0 3 180.251 1.953 20 0 ADADHN Cc1c[nH]nc1CNCCC(C)C 308156346 491081577 /nfs/dbraw/zinc/08/15/77/491081577.db2.gz RPRBFEXJZKIHJY-UHFFFAOYSA-N 0 3 181.283 1.854 20 0 ADADHN Cc1n[nH]cc1CN(C)CC(C)C 308161643 491081726 /nfs/dbraw/zinc/08/17/26/491081726.db2.gz VJJXVVRVCZTJRY-UHFFFAOYSA-N 0 3 181.283 1.806 20 0 ADADHN CN(C)CCSc1cnccn1 308161489 491081795 /nfs/dbraw/zinc/08/17/95/491081795.db2.gz RLSAIGLTRBZDFT-UHFFFAOYSA-N 0 3 183.280 1.130 20 0 ADADHN C[C@@H]1C[C@@H](NCCF)CN1C1CC1 308203844 491084134 /nfs/dbraw/zinc/08/41/34/491084134.db2.gz XEFTVBWIFKJPFS-RKDXNWHRSA-N 0 3 186.274 1.171 20 0 ADADHN CN(CCOC1CCC1)C1CC1 308165287 491082142 /nfs/dbraw/zinc/08/21/42/491082142.db2.gz ULTYGJUDWBCXIQ-UHFFFAOYSA-N 0 3 169.268 1.650 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cc[nH]n1 308165194 491082234 /nfs/dbraw/zinc/08/22/34/491082234.db2.gz XFJINSYGQSUCNJ-SECBINFHSA-N 0 3 181.283 1.886 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1cc[nH]n1 308165195 491082244 /nfs/dbraw/zinc/08/22/44/491082244.db2.gz XFJINSYGQSUCNJ-VIFPVBQESA-N 0 3 181.283 1.886 20 0 ADADHN Cc1c[nH]nc1CNCCCF 308177539 491082661 /nfs/dbraw/zinc/08/26/61/491082661.db2.gz ZWBFOPSATPYCLJ-UHFFFAOYSA-N 0 3 171.219 1.167 20 0 ADADHN C[C@H](NCCCF)c1cnn(C)c1 308185094 491083171 /nfs/dbraw/zinc/08/31/71/491083171.db2.gz JEUXUYXICVGADM-QMMMGPOBSA-N 0 3 185.246 1.430 20 0 ADADHN C[C@@H](NCCCF)c1cnn(C)c1 308185089 491083211 /nfs/dbraw/zinc/08/32/11/491083211.db2.gz JEUXUYXICVGADM-MRVPVSSYSA-N 0 3 185.246 1.430 20 0 ADADHN FCCCCCN1CCCOCC1 308193002 491083328 /nfs/dbraw/zinc/08/33/28/491083328.db2.gz PNIRWVIETGYLHU-UHFFFAOYSA-N 0 3 189.274 1.849 20 0 ADADHN C=Cn1cc(CNCCCF)cn1 308191608 491083379 /nfs/dbraw/zinc/08/33/79/491083379.db2.gz ODCHSXJSYNQOPI-UHFFFAOYSA-N 0 3 183.230 1.433 20 0 ADADHN OC[C@@H](NCCF)C1CCCCC1 308202117 491083973 /nfs/dbraw/zinc/08/39/73/491083973.db2.gz ZJEZZVWEKPSMKV-SNVBAGLBSA-N 0 3 189.274 1.487 20 0 ADADHN OC[C@H](NCCF)C1CCCCC1 308202116 491083993 /nfs/dbraw/zinc/08/39/93/491083993.db2.gz ZJEZZVWEKPSMKV-JTQLQIEISA-N 0 3 189.274 1.487 20 0 ADADHN C[C@H]1C[C@@H](NCCF)CN1C1CC1 308203842 491084174 /nfs/dbraw/zinc/08/41/74/491084174.db2.gz XEFTVBWIFKJPFS-DTWKUNHWSA-N 0 3 186.274 1.171 20 0 ADADHN C[C@@H]1C[C@H](NCCF)CN1C1CC1 308203841 491084183 /nfs/dbraw/zinc/08/41/83/491084183.db2.gz XEFTVBWIFKJPFS-BDAKNGLRSA-N 0 3 186.274 1.171 20 0 ADADHN C[C@H]1C[C@H](NCCF)CN1C1CC1 308203843 491084211 /nfs/dbraw/zinc/08/42/11/491084211.db2.gz XEFTVBWIFKJPFS-IUCAKERBSA-N 0 3 186.274 1.171 20 0 ADADHN CCCN(CC)[C@H](C)C(=O)N(C)C 308208945 491084316 /nfs/dbraw/zinc/08/43/16/491084316.db2.gz FICIHMOTXDVVMY-SECBINFHSA-N 0 3 186.299 1.195 20 0 ADADHN CCCN(CC)[C@@H](C)C(=O)N(C)C 308208946 491084320 /nfs/dbraw/zinc/08/43/20/491084320.db2.gz FICIHMOTXDVVMY-VIFPVBQESA-N 0 3 186.299 1.195 20 0 ADADHN CCN(CC)Cc1c(C)cnn1C 308212720 491084552 /nfs/dbraw/zinc/08/45/52/491084552.db2.gz HHQDZJFDXGCWDT-UHFFFAOYSA-N 0 3 181.283 1.570 20 0 ADADHN CCCN(CC)Cc1c[nH]nc1C 308212563 491084582 /nfs/dbraw/zinc/08/45/82/491084582.db2.gz HFIRCYIYXCFSFW-UHFFFAOYSA-N 0 3 181.283 1.950 20 0 ADADHN CCC(CC)N(CC)CC(=O)NC 308213195 491084609 /nfs/dbraw/zinc/08/46/09/491084609.db2.gz HOBXCRGDTBZCCX-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CCN(CC)Cc1cn(C)nc1C 308211093 491084662 /nfs/dbraw/zinc/08/46/62/491084662.db2.gz GNESYKPRPQIDNC-UHFFFAOYSA-N 0 3 181.283 1.570 20 0 ADADHN C=Cn1cc(CN(C)CCC)cn1 308214106 491084887 /nfs/dbraw/zinc/08/48/87/491084887.db2.gz IAIYDALLCGQVCU-UHFFFAOYSA-N 0 3 179.267 1.825 20 0 ADADHN CCCN(Cc1cn[nH]c1)C1CC1 308217518 491085100 /nfs/dbraw/zinc/08/51/00/491085100.db2.gz JZBJWVMVXYWWNJ-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN CCN(Cc1ccoc1)C[C@H](C)O 308216678 491085259 /nfs/dbraw/zinc/08/52/59/491085259.db2.gz AIMQMEYRBQNYKE-VIFPVBQESA-N 0 3 183.251 1.482 20 0 ADADHN CCN(Cc1cn[nH]c1)C1CCC1 308220375 491085501 /nfs/dbraw/zinc/08/55/01/491085501.db2.gz KYGMJJVSWQLGNE-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN Cc1c[nH]nc1CNC[C@@H]1C[C@@H]1C 308222059 491085565 /nfs/dbraw/zinc/08/55/65/491085565.db2.gz COCVBZIUHJSDKU-CBAPKCEASA-N 0 3 179.267 1.464 20 0 ADADHN Cc1c[nH]nc1CNC[C@H]1C[C@@H]1C 308222061 491085619 /nfs/dbraw/zinc/08/56/19/491085619.db2.gz COCVBZIUHJSDKU-IONNQARKSA-N 0 3 179.267 1.464 20 0 ADADHN Cc1c[nH]nc1CNC[C@H]1C[C@H]1C 308222063 491085700 /nfs/dbraw/zinc/08/57/00/491085700.db2.gz COCVBZIUHJSDKU-VXNVDRBHSA-N 0 3 179.267 1.464 20 0 ADADHN Cc1c[nH]nc1CNC[C@@H]1C[C@H]1C 308222057 491085742 /nfs/dbraw/zinc/08/57/42/491085742.db2.gz COCVBZIUHJSDKU-APPZFPTMSA-N 0 3 179.267 1.464 20 0 ADADHN CC[C@H]1COCCN1CCCCF 308223369 491085839 /nfs/dbraw/zinc/08/58/39/491085839.db2.gz MCVYXZCDAOHIMV-JTQLQIEISA-N 0 3 189.274 1.847 20 0 ADADHN CC(C)N(Cc1cnc[nH]1)C1CC1 308224097 491085866 /nfs/dbraw/zinc/08/58/66/491085866.db2.gz DGARBJPIPILQFE-UHFFFAOYSA-N 0 3 179.267 1.783 20 0 ADADHN CC[C@@H]1COCCN1CCCCF 308223370 491085921 /nfs/dbraw/zinc/08/59/21/491085921.db2.gz MCVYXZCDAOHIMV-SNVBAGLBSA-N 0 3 189.274 1.847 20 0 ADADHN CCCCN1CCOC[C@@H]1C1CC1 308226793 491086036 /nfs/dbraw/zinc/08/60/36/491086036.db2.gz NGIOTRQURJVWSP-LLVKDONJSA-N 0 3 183.295 1.897 20 0 ADADHN CCCCN1CCOC[C@H]1C1CC1 308226795 491086108 /nfs/dbraw/zinc/08/61/08/491086108.db2.gz NGIOTRQURJVWSP-NSHDSACASA-N 0 3 183.295 1.897 20 0 ADADHN CCCN(C)Cc1c(C)cnn1C 308228623 491086180 /nfs/dbraw/zinc/08/61/80/491086180.db2.gz NWSFRBGKQXZBGD-UHFFFAOYSA-N 0 3 181.283 1.570 20 0 ADADHN CCCN(Cc1cnc[nH]1)C1CC1 308230259 491086458 /nfs/dbraw/zinc/08/64/58/491086458.db2.gz OJYIDJSWOSIXJE-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN CCN(CC)Cc1c(C)n[nH]c1C 308234950 491086721 /nfs/dbraw/zinc/08/67/21/491086721.db2.gz 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CCCN(C)C[C@](C)(O)C(F)(F)F 308252222 491088811 /nfs/dbraw/zinc/08/88/11/491088811.db2.gz GJJRLHSENOKQSI-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN CC[C@@H](C)CC(=O)NCCN(C)C 308251958 491088813 /nfs/dbraw/zinc/08/88/13/491088813.db2.gz BPXAHQYLKZIIIM-SECBINFHSA-N 0 3 186.299 1.100 20 0 ADADHN CC[C@H](C)CC(=O)NCCN(C)C 308251959 491088829 /nfs/dbraw/zinc/08/88/29/491088829.db2.gz BPXAHQYLKZIIIM-VIFPVBQESA-N 0 3 186.299 1.100 20 0 ADADHN CCCN(C)C[C@@](C)(O)C(F)(F)F 308252221 491088861 /nfs/dbraw/zinc/08/88/61/491088861.db2.gz GJJRLHSENOKQSI-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN CN(Cc1cn[nH]c1)CC1(C)CC1 308253340 491089034 /nfs/dbraw/zinc/08/90/34/491089034.db2.gz HCWXYBUZRQFITP-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CCC(C)(C)NCc1n[nH]cc1C 308253762 491089142 /nfs/dbraw/zinc/08/91/42/491089142.db2.gz CTBBVLKLRSAJFB-UHFFFAOYSA-N 0 3 181.283 1.996 20 0 ADADHN CN(Cc1cn[nH]c1)CC(C)(C)C 308255335 491089251 /nfs/dbraw/zinc/08/92/51/491089251.db2.gz IVNQKEFOBHRUIM-UHFFFAOYSA-N 0 3 181.283 1.888 20 0 ADADHN CCc1c[nH]c(SCCN(C)C)n1 308254962 491089295 /nfs/dbraw/zinc/08/92/95/491089295.db2.gz INAOBMNITOSDFS-UHFFFAOYSA-N 0 3 199.323 1.626 20 0 ADADHN C[C@@H](CCn1cccn1)NCCF 308259280 491089412 /nfs/dbraw/zinc/08/94/12/491089412.db2.gz MORUSZLKJQLPBK-VIFPVBQESA-N 0 3 185.246 1.221 20 0 ADADHN C[C@H](CCn1cccn1)NCCF 308259279 491089446 /nfs/dbraw/zinc/08/94/46/491089446.db2.gz MORUSZLKJQLPBK-SECBINFHSA-N 0 3 185.246 1.221 20 0 ADADHN CNC(=O)CN(C)CCC(C)(C)C 308261361 491089710 /nfs/dbraw/zinc/08/97/10/491089710.db2.gz MPYBNKXWBWQJFO-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CNC(=O)CN(C)CCCC(C)C 308264246 491089928 /nfs/dbraw/zinc/08/99/28/491089928.db2.gz OHEMMPFCMBZVEO-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN C[C@H](CF)N[C@H](C)Cn1cccn1 308267262 491090318 /nfs/dbraw/zinc/09/03/18/491090318.db2.gz QHXUEXKUSLDCQN-RKDXNWHRSA-N 0 3 185.246 1.219 20 0 ADADHN C[C@@H](Cn1cccn1)N[C@H](C)CF 308267259 491090368 /nfs/dbraw/zinc/09/03/68/491090368.db2.gz QHXUEXKUSLDCQN-BDAKNGLRSA-N 0 3 185.246 1.219 20 0 ADADHN Cc1ccsc1CN(C)[C@H](C)CO 308281361 491091817 /nfs/dbraw/zinc/09/18/17/491091817.db2.gz XCIXASUVWZSUQR-SECBINFHSA-N 0 3 199.319 1.869 20 0 ADADHN Cc1occc1CN[C@H](C)CCO 308283933 491092261 /nfs/dbraw/zinc/09/22/61/491092261.db2.gz XZSYVDLPUJQYOC-MRVPVSSYSA-N 0 3 183.251 1.449 20 0 ADADHN Cc1occc1CN[C@@H](C)CCO 308283934 491092301 /nfs/dbraw/zinc/09/23/01/491092301.db2.gz XZSYVDLPUJQYOC-QMMMGPOBSA-N 0 3 183.251 1.449 20 0 ADADHN CC/C=C/CCN(CC)CC(N)=O 308286231 491092811 /nfs/dbraw/zinc/09/28/11/491092811.db2.gz CBEHOKJICBHWAZ-AATRIKPKSA-N 0 3 184.283 1.150 20 0 ADADHN CC/C=C\CCN(CC)CC(N)=O 308286235 491092814 /nfs/dbraw/zinc/09/28/14/491092814.db2.gz CBEHOKJICBHWAZ-WAYWQWQTSA-N 0 3 184.283 1.150 20 0 ADADHN CC1(CCNCc2cc[nH]n2)CC1 308286338 491092853 /nfs/dbraw/zinc/09/28/53/491092853.db2.gz ZFBVMHLHVCRUKT-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN CC[C@@H](C)N1CCO[C@H](COC)C1 308310947 491095453 /nfs/dbraw/zinc/09/54/53/491095453.db2.gz RGWWVVSXQGEQTP-ZJUUUORDSA-N 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/nfs/dbraw/zinc/09/44/84/491094484.db2.gz MUUTVHJWRMVSIO-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CC1(C)COCCN1CCCCF 308304239 491094512 /nfs/dbraw/zinc/09/45/12/491094512.db2.gz NNOSKDUFJHTZPM-UHFFFAOYSA-N 0 3 189.274 1.847 20 0 ADADHN CC[C@H](C)CN(CC(N)=O)C(C)C 308302902 491094648 /nfs/dbraw/zinc/09/46/48/491094648.db2.gz MUUTVHJWRMVSIO-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN CCCC[C@@H](C)N(C)CC(=O)NC 308305342 491094823 /nfs/dbraw/zinc/09/48/23/491094823.db2.gz OCDDSADTWKQMGS-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCCC[C@H](C)N(C)CC(=O)NC 308305344 491094888 /nfs/dbraw/zinc/09/48/88/491094888.db2.gz OCDDSADTWKQMGS-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN C[C@H]1CN(CCCCF)C[C@@H](C)O1 308305312 491094899 /nfs/dbraw/zinc/09/48/99/491094899.db2.gz OBMQGFDZBLEWNA-AOOOYVTPSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@H](C)N1CCO[C@H](COC)C1 308310944 491095364 /nfs/dbraw/zinc/09/53/64/491095364.db2.gz RGWWVVSXQGEQTP-UWVGGRQHSA-N 0 3 187.283 1.132 20 0 ADADHN CC[C@H](C)N1CCO[C@@H](COC)C1 308310945 491095386 /nfs/dbraw/zinc/09/53/86/491095386.db2.gz RGWWVVSXQGEQTP-VHSXEESVSA-N 0 3 187.283 1.132 20 0 ADADHN CCC(=O)N(CCN(C)C)C(C)C 308309512 491095425 /nfs/dbraw/zinc/09/54/25/491095425.db2.gz QGWDXQMMSQPPMK-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN CC[C@@H](C)N1CCO[C@@H](COC)C1 308310737 491095459 /nfs/dbraw/zinc/09/54/59/491095459.db2.gz RGWWVVSXQGEQTP-NXEZZACHSA-N 0 3 187.283 1.132 20 0 ADADHN CCN(Cc1c[nH]cn1)C1CCC1 308314389 491095933 /nfs/dbraw/zinc/09/59/33/491095933.db2.gz UILXBTKARMANRY-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN CCN(Cc1cnc[nH]1)C1CCC1 308314389 491095934 /nfs/dbraw/zinc/09/59/34/491095934.db2.gz UILXBTKARMANRY-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN CC1(C)CN(CCCCF)CCO1 308317785 491096292 /nfs/dbraw/zinc/09/62/92/491096292.db2.gz WRLFRPOAKFZGMH-UHFFFAOYSA-N 0 3 189.274 1.847 20 0 ADADHN CC[C@H](C)CN(C)Cc1c[nH]cn1 308318065 491096366 /nfs/dbraw/zinc/09/63/66/491096366.db2.gz WWIHYXNMGTYRLM-VIFPVBQESA-N 0 3 181.283 1.888 20 0 ADADHN CC[C@H](C)CN(C)Cc1cnc[nH]1 308318065 491096367 /nfs/dbraw/zinc/09/63/67/491096367.db2.gz WWIHYXNMGTYRLM-VIFPVBQESA-N 0 3 181.283 1.888 20 0 ADADHN CC[C@@H](C)CN(C)Cc1c[nH]cn1 308318064 491096409 /nfs/dbraw/zinc/09/64/09/491096409.db2.gz WWIHYXNMGTYRLM-SECBINFHSA-N 0 3 181.283 1.888 20 0 ADADHN CC[C@@H](C)CN(C)Cc1cnc[nH]1 308318064 491096410 /nfs/dbraw/zinc/09/64/10/491096410.db2.gz WWIHYXNMGTYRLM-SECBINFHSA-N 0 3 181.283 1.888 20 0 ADADHN CC[C@H](C)N(C)Cc1c[nH]nc1C 308321992 491096693 /nfs/dbraw/zinc/09/66/93/491096693.db2.gz ZGADYTSCFHNMHJ-QMMMGPOBSA-N 0 3 181.283 1.948 20 0 ADADHN c1c[nH]c(CNC2(C3CC3)CC2)n1 308322823 491096696 /nfs/dbraw/zinc/09/66/96/491096696.db2.gz CQOQDYWDQUWWEE-UHFFFAOYSA-N 0 3 177.251 1.442 20 0 ADADHN CC[C@@H](C)N(C)Cc1c[nH]nc1C 308321991 491096764 /nfs/dbraw/zinc/09/67/64/491096764.db2.gz ZGADYTSCFHNMHJ-MRVPVSSYSA-N 0 3 181.283 1.948 20 0 ADADHN CC[C@@H](C(=O)N(CC)CC)N(C)C 308324095 491096939 /nfs/dbraw/zinc/09/69/39/491096939.db2.gz 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/nfs/dbraw/zinc/09/77/17/491097717.db2.gz IHAICTJAFULWQM-SECBINFHSA-N 0 3 179.267 1.879 20 0 ADADHN CO[C@H](C)CN(C)C[C@@H]1CCCO1 308333427 491097905 /nfs/dbraw/zinc/09/79/05/491097905.db2.gz JWSVRGYIDILHDH-ZJUUUORDSA-N 0 3 187.283 1.132 20 0 ADADHN CO[C@@H](C)CN(C)C[C@@H]1CCCO1 308333426 491098002 /nfs/dbraw/zinc/09/80/02/491098002.db2.gz JWSVRGYIDILHDH-UWVGGRQHSA-N 0 3 187.283 1.132 20 0 ADADHN CCCN(CC(=O)N(C)C)C(C)C 308397839 491101315 /nfs/dbraw/zinc/10/13/15/491101315.db2.gz FJFRRGMYWTZTQZ-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN Cn1cnc(CNCC2(C)CC2)c1 308347992 491098302 /nfs/dbraw/zinc/09/83/02/491098302.db2.gz WPNLWVYQDDHWAA-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN CCCCNC(=O)[C@@H](CC)N(C)C 308355078 491098376 /nfs/dbraw/zinc/09/83/76/491098376.db2.gz KKGUQOSZGHPSCF-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN c1cc(CNC2(C3CC3)CC2)on1 308352670 491098413 /nfs/dbraw/zinc/09/84/13/491098413.db2.gz ZGUMAGQEXIZHBN-UHFFFAOYSA-N 0 3 178.235 1.707 20 0 ADADHN CCCCNC(=O)[C@H](CC)N(C)C 308355079 491098533 /nfs/dbraw/zinc/09/85/33/491098533.db2.gz KKGUQOSZGHPSCF-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN C[C@@H](NCc1cocn1)C1CCC1 308357836 491098618 /nfs/dbraw/zinc/09/86/18/491098618.db2.gz CAMNQTCAOJUEII-MRVPVSSYSA-N 0 3 180.251 1.953 20 0 ADADHN Cn1ncc(Cl)c1CNCC1CC1 308357406 491098728 /nfs/dbraw/zinc/09/87/28/491098728.db2.gz BIAFFBMETCOSNQ-UHFFFAOYSA-N 0 3 199.685 1.573 20 0 ADADHN CC(C)=CCN(C)C[C@H](O)C1CC1 308360244 491098884 /nfs/dbraw/zinc/09/88/84/491098884.db2.gz MCJATIYIUURYNQ-NSHDSACASA-N 0 3 183.295 1.655 20 0 ADADHN CC(C)=CCN(C)C[C@@H](O)C1CC1 308360242 491098937 /nfs/dbraw/zinc/09/89/37/491098937.db2.gz MCJATIYIUURYNQ-LLVKDONJSA-N 0 3 183.295 1.655 20 0 ADADHN CCN(CC(=O)NC)CC(C)(C)C 308365233 491098952 /nfs/dbraw/zinc/09/89/52/491098952.db2.gz NUJAIABMBMRGSH-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCN(CC)C(=O)CN(C)C(C)C 308374144 491099392 /nfs/dbraw/zinc/09/93/92/491099392.db2.gz RLWDKHOHFHPSDX-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN CCCCNC(=O)CN(C)C(C)C 308381872 491100004 /nfs/dbraw/zinc/10/00/04/491100004.db2.gz UXIUFTWZRCERDQ-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CC[C@@H](C(=O)N(C)C(C)C)N(C)C 308383462 491100079 /nfs/dbraw/zinc/10/00/79/491100079.db2.gz VSFJBFXMQZXQBD-VIFPVBQESA-N 0 3 186.299 1.193 20 0 ADADHN CCCN(C)C(=O)[C@@H](CC)N(C)C 308383165 491100085 /nfs/dbraw/zinc/10/00/85/491100085.db2.gz VOVCZSLPOFSCFF-SECBINFHSA-N 0 3 186.299 1.195 20 0 ADADHN CCCN(C)C(=O)[C@H](CC)N(C)C 308383166 491100113 /nfs/dbraw/zinc/10/01/13/491100113.db2.gz VOVCZSLPOFSCFF-VIFPVBQESA-N 0 3 186.299 1.195 20 0 ADADHN CC[C@H](C(=O)N(C)C(C)C)N(C)C 308383460 491100227 /nfs/dbraw/zinc/10/02/27/491100227.db2.gz VSFJBFXMQZXQBD-SECBINFHSA-N 0 3 186.299 1.193 20 0 ADADHN C[C@H](C(N)=O)N(C)CCC(C)(C)C 308387016 491100313 /nfs/dbraw/zinc/10/03/13/491100313.db2.gz VFNLRMPZOLFHAW-MRVPVSSYSA-N 0 3 186.299 1.228 20 0 ADADHN CCN(Cc1c[nH]cn1)CC1CC1 308387336 491100443 /nfs/dbraw/zinc/10/04/43/491100443.db2.gz XRQPHBBFYCLOBN-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CCN(Cc1cnc[nH]1)CC1CC1 308387336 491100445 /nfs/dbraw/zinc/10/04/45/491100445.db2.gz XRQPHBBFYCLOBN-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN Cc1ccc(CN(C)[C@H](C)CO)s1 308392274 491100766 /nfs/dbraw/zinc/10/07/66/491100766.db2.gz ZFAFLWMKJSPZJG-MRVPVSSYSA-N 0 3 199.319 1.869 20 0 ADADHN CCCCN(CC)Cc1c[nH]nn1 308396651 491101045 /nfs/dbraw/zinc/10/10/45/491101045.db2.gz DPHJEXOTWWSXML-UHFFFAOYSA-N 0 3 182.271 1.427 20 0 ADADHN CCC[C@H]1CN(CC2CC2)CCO1 308404581 491101600 /nfs/dbraw/zinc/10/16/00/491101600.db2.gz IZILWNLTHBOWHX-NSHDSACASA-N 0 3 183.295 1.897 20 0 ADADHN CC[C@@H](C(=O)N(C)C)N(CC)CC 308403137 491101611 /nfs/dbraw/zinc/10/16/11/491101611.db2.gz ICTRDHHUDMXNBN-VIFPVBQESA-N 0 3 186.299 1.195 20 0 ADADHN CC[C@H](C(=O)N(C)C)N(CC)CC 308403135 491101673 /nfs/dbraw/zinc/10/16/73/491101673.db2.gz ICTRDHHUDMXNBN-SECBINFHSA-N 0 3 186.299 1.195 20 0 ADADHN CCC[C@@H]1CN(CC2CC2)CCO1 308404580 491101766 /nfs/dbraw/zinc/10/17/66/491101766.db2.gz IZILWNLTHBOWHX-LLVKDONJSA-N 0 3 183.295 1.897 20 0 ADADHN CN(Cc1cccs1)C1(CO)CC1 308403879 491101779 /nfs/dbraw/zinc/10/17/79/491101779.db2.gz INIKBHARTOCOMV-UHFFFAOYSA-N 0 3 197.303 1.705 20 0 ADADHN C[C@@H](c1ccncc1)N(C)CCCO 308407666 491101903 /nfs/dbraw/zinc/10/19/03/491101903.db2.gz DQFBJSPZKABZNC-JTQLQIEISA-N 0 3 194.278 1.457 20 0 ADADHN C[C@H](c1ccncc1)N(C)CCCO 308407668 491101923 /nfs/dbraw/zinc/10/19/23/491101923.db2.gz DQFBJSPZKABZNC-SNVBAGLBSA-N 0 3 194.278 1.457 20 0 ADADHN CN(CCCC(C)(C)C)CC(N)=O 308410879 491102128 /nfs/dbraw/zinc/10/21/28/491102128.db2.gz LOOIQQFJODLMHY-UHFFFAOYSA-N 0 3 186.299 1.230 20 0 ADADHN CCCCN(CC)CC(=O)N(C)C 308410817 491102144 /nfs/dbraw/zinc/10/21/44/491102144.db2.gz LKROTWSSMWDEIB-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN CN(Cc1c[nH]cn1)CC1CCC1 308411723 491102217 /nfs/dbraw/zinc/10/22/17/491102217.db2.gz LVQFJERMTZWCLZ-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CN(Cc1cnc[nH]1)CC1CCC1 308411723 491102218 /nfs/dbraw/zinc/10/22/18/491102218.db2.gz LVQFJERMTZWCLZ-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CCCN(C)CC(=O)N(CC)CC 308410179 491102264 /nfs/dbraw/zinc/10/22/64/491102264.db2.gz LGQLISRXMXWKHR-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN CCC[C@H](C)NCc1n[nH]cc1C 308419086 491102423 /nfs/dbraw/zinc/10/24/23/491102423.db2.gz OAQJYPOXIQDJIV-VIFPVBQESA-N 0 3 181.283 1.996 20 0 ADADHN CCC[C@@H](C)NCc1n[nH]cc1C 308419085 491102515 /nfs/dbraw/zinc/10/25/15/491102515.db2.gz OAQJYPOXIQDJIV-SECBINFHSA-N 0 3 181.283 1.996 20 0 ADADHN CCN1CCN(CCCF)C[C@@H]1C 308421843 491102761 /nfs/dbraw/zinc/10/27/61/491102761.db2.gz PAWWPNDHTCZOAK-JTQLQIEISA-N 0 3 188.290 1.372 20 0 ADADHN CCN1CCN(CCCF)C[C@H]1C 308421845 491102796 /nfs/dbraw/zinc/10/27/96/491102796.db2.gz PAWWPNDHTCZOAK-SNVBAGLBSA-N 0 3 188.290 1.372 20 0 ADADHN CCN1CCN(CCCF)[C@@H](C)C1 308423291 491102975 /nfs/dbraw/zinc/10/29/75/491102975.db2.gz PORDEBJIXXIHOC-JTQLQIEISA-N 0 3 188.290 1.372 20 0 ADADHN CCN1CCN(CCCF)[C@H](C)C1 308423292 491102985 /nfs/dbraw/zinc/10/29/85/491102985.db2.gz PORDEBJIXXIHOC-SNVBAGLBSA-N 0 3 188.290 1.372 20 0 ADADHN CN(CCCCCO)Cc1cn[nH]c1 308424097 491103026 /nfs/dbraw/zinc/10/30/26/491103026.db2.gz QEEVWJKJDTYUNQ-UHFFFAOYSA-N 0 3 197.282 1.004 20 0 ADADHN CCOC1CC(N(C)CCOC)C1 308422856 491103059 /nfs/dbraw/zinc/10/30/59/491103059.db2.gz PJUUFPOYLOOGBO-UHFFFAOYSA-N 0 3 187.283 1.132 20 0 ADADHN CCCN(C)CC(=O)NC(C)(C)C 308429406 491103644 /nfs/dbraw/zinc/10/36/44/491103644.db2.gz SQJRDXKDUQKWSA-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CCCCN(CC(N)=O)C(C)(C)C 308427784 491103409 /nfs/dbraw/zinc/10/34/09/491103409.db2.gz RWMBGUKPHYTODK-UHFFFAOYSA-N 0 3 186.299 1.372 20 0 ADADHN CCc1cnccc1[C@H](C)NCCO 308503328 491108654 /nfs/dbraw/zinc/10/86/54/491108654.db2.gz HQNIHCHTEOUQRS-VIFPVBQESA-N 0 3 194.278 1.287 20 0 ADADHN CCCCCNCc1n[nH]cc1C 308437357 491104273 /nfs/dbraw/zinc/10/42/73/491104273.db2.gz XFVVJNKKDAXQND-UHFFFAOYSA-N 0 3 181.283 1.998 20 0 ADADHN COC1(CN[C@H](C)CF)CCCC1 308439719 491104278 /nfs/dbraw/zinc/10/42/78/491104278.db2.gz YLKGHNJXWXESJI-SECBINFHSA-N 0 3 189.274 1.893 20 0 ADADHN CN(CCN(C)C1CC1)CC(F)F 308447395 491104894 /nfs/dbraw/zinc/10/48/94/491104894.db2.gz BYUZGJXJVGUASL-UHFFFAOYSA-N 0 3 192.253 1.278 20 0 ADADHN CN(CCC1CC1)Cc1cnc[nH]1 308451070 491105072 /nfs/dbraw/zinc/10/50/72/491105072.db2.gz DOCKOSLBMIBAHD-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CN(C)CCN(C)Cc1cncs1 308452402 491105229 /nfs/dbraw/zinc/10/52/29/491105229.db2.gz DXPPQARBKQTHCF-UHFFFAOYSA-N 0 3 199.323 1.137 20 0 ADADHN CN(CCCCF)Cc1cn[nH]c1 308464238 491105681 /nfs/dbraw/zinc/10/56/81/491105681.db2.gz INRXSUCDRMBQMI-UHFFFAOYSA-N 0 3 185.246 1.591 20 0 ADADHN Cc1ncccc1CNCCCCO 308464463 491105714 /nfs/dbraw/zinc/10/57/14/491105714.db2.gz GTIOBGXCIRNVDV-UHFFFAOYSA-N 0 3 194.278 1.252 20 0 ADADHN NC(=O)C1(NCC2CCCCC2)CC1 308510915 491109375 /nfs/dbraw/zinc/10/93/75/491109375.db2.gz JOOFSZWACVXVNR-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN Cc1ncccc1CN(C)[C@H](C)CO 308463775 491105742 /nfs/dbraw/zinc/10/57/42/491105742.db2.gz GNSJZOIFQNFIED-SECBINFHSA-N 0 3 194.278 1.203 20 0 ADADHN CN(CCC1CC1)Cc1ccno1 308475854 491106204 /nfs/dbraw/zinc/10/62/04/491106204.db2.gz LWXHKCMRMLFLRJ-UHFFFAOYSA-N 0 3 180.251 1.907 20 0 ADADHN CCN(CCC(C)(C)C)CC(N)=O 308477354 491106279 /nfs/dbraw/zinc/10/62/79/491106279.db2.gz MFPOBDWJEVNCHR-UHFFFAOYSA-N 0 3 186.299 1.230 20 0 ADADHN Cn1cncc1CNC1(C2CC2)CC1 308510304 491109461 /nfs/dbraw/zinc/10/94/61/491109461.db2.gz IZIHROMGXSBBLW-UHFFFAOYSA-N 0 3 191.278 1.452 20 0 ADADHN Cc1ccoc1CNCCC(C)(C)O 308478503 491106525 /nfs/dbraw/zinc/10/65/25/491106525.db2.gz LOBVLKDSEWCRDA-UHFFFAOYSA-N 0 3 197.278 1.839 20 0 ADADHN COC1CC(NCc2ccoc2C)C1 308512016 491109502 /nfs/dbraw/zinc/10/95/02/491109502.db2.gz LFVMZONOQNFAFD-UHFFFAOYSA-N 0 3 195.262 1.855 20 0 ADADHN CC[C@@H](C)NCc1cn(C(C)C)nn1 308482522 491106716 /nfs/dbraw/zinc/10/67/16/491106716.db2.gz HNUQHPFMLPBFIQ-SECBINFHSA-N 0 3 196.298 1.747 20 0 ADADHN CC[C@H](C)NCc1cn(C(C)C)nn1 308482524 491106794 /nfs/dbraw/zinc/10/67/94/491106794.db2.gz HNUQHPFMLPBFIQ-VIFPVBQESA-N 0 3 196.298 1.747 20 0 ADADHN COCCN(C)CCOC1CCC1 308486587 491106951 /nfs/dbraw/zinc/10/69/51/491106951.db2.gz PJTOFVCMRKMXRS-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN c1coc(CNCCc2cn[nH]c2)c1 308511499 491109523 /nfs/dbraw/zinc/10/95/23/491109523.db2.gz LAHWGOFPBJYHCK-UHFFFAOYSA-N 0 3 191.234 1.335 20 0 ADADHN COCC(C)(C)CNCc1cc[nH]n1 308486975 491107134 /nfs/dbraw/zinc/10/71/34/491107134.db2.gz ORHYBPSYPVEAMA-UHFFFAOYSA-N 0 3 197.282 1.172 20 0 ADADHN COC[C@@H](C)CNCc1n[nH]cc1C 308494185 491107561 /nfs/dbraw/zinc/10/75/61/491107561.db2.gz CQXNKNJCGHATDY-QMMMGPOBSA-N 0 3 197.282 1.090 20 0 ADADHN COC[C@H](C)CNCc1n[nH]cc1C 308494183 491107626 /nfs/dbraw/zinc/10/76/26/491107626.db2.gz CQXNKNJCGHATDY-MRVPVSSYSA-N 0 3 197.282 1.090 20 0 ADADHN CC(C)C(C)(C)NCc1cnnn1C 308492812 491107631 /nfs/dbraw/zinc/10/76/31/491107631.db2.gz CGFICLVCVCJMDN-UHFFFAOYSA-N 0 3 196.298 1.339 20 0 ADADHN CC(C)=CCCNCc1ccnn1C 308495095 491107759 /nfs/dbraw/zinc/10/77/59/491107759.db2.gz CXDKIHOECNBFCB-UHFFFAOYSA-N 0 3 193.294 1.866 20 0 ADADHN CC(C)[C@@H](CCO)NCc1ccno1 308495967 491107806 /nfs/dbraw/zinc/10/78/06/491107806.db2.gz DEYADJFBKBPBBL-SNVBAGLBSA-N 0 3 198.266 1.171 20 0 ADADHN C1=C(CNCc2cc[nH]c2)COCC1 308495834 491107850 /nfs/dbraw/zinc/10/78/50/491107850.db2.gz DCPRZAHGQQJYRA-UHFFFAOYSA-N 0 3 192.262 1.451 20 0 ADADHN CC(C)[C@H](CCO)NCc1ccno1 308495965 491107890 /nfs/dbraw/zinc/10/78/90/491107890.db2.gz DEYADJFBKBPBBL-JTQLQIEISA-N 0 3 198.266 1.171 20 0 ADADHN OCCNC1(c2ccc(F)cc2)CC1 308508869 491109181 /nfs/dbraw/zinc/10/91/81/491109181.db2.gz HVEGRSVGYCSZDC-UHFFFAOYSA-N 0 3 195.237 1.397 20 0 ADADHN COCCC[C@H](C)NCc1cc[nH]n1 308501349 491108336 /nfs/dbraw/zinc/10/83/36/491108336.db2.gz GTWQCWRZPRSNRA-VIFPVBQESA-N 0 3 197.282 1.314 20 0 ADADHN COCCC[C@@H](C)NCc1cc[nH]n1 308501348 491108369 /nfs/dbraw/zinc/10/83/69/491108369.db2.gz GTWQCWRZPRSNRA-SECBINFHSA-N 0 3 197.282 1.314 20 0 ADADHN Cc1cnc(N(C)CCN(C)C)s1 308506790 491109243 /nfs/dbraw/zinc/10/92/43/491109243.db2.gz ZOKLXZMZQAEDDR-UHFFFAOYSA-N 0 3 199.323 1.449 20 0 ADADHN Cn1ccc(CNC2(C3CC3)CC2)n1 308504398 491108662 /nfs/dbraw/zinc/10/86/62/491108662.db2.gz CPQSMTIPQFUQKB-UHFFFAOYSA-N 0 3 191.278 1.452 20 0 ADADHN CCc1cnccc1[C@@H](C)NCCO 308503327 491108722 /nfs/dbraw/zinc/10/87/22/491108722.db2.gz HQNIHCHTEOUQRS-SECBINFHSA-N 0 3 194.278 1.287 20 0 ADADHN CC(C)NCc1ncccc1N(C)C 308505560 491108984 /nfs/dbraw/zinc/10/89/84/491108984.db2.gz INZPMUKWZKEOLY-UHFFFAOYSA-N 0 3 193.294 1.646 20 0 ADADHN FCCNCc1ccc2[nH]cnc2c1 308508149 491109064 /nfs/dbraw/zinc/10/90/64/491109064.db2.gz HJANZNWVYUHJLF-UHFFFAOYSA-N 0 3 193.225 1.622 20 0 ADADHN FCCNCc1ccc2nc[nH]c2c1 308508149 491109066 /nfs/dbraw/zinc/10/90/66/491109066.db2.gz HJANZNWVYUHJLF-UHFFFAOYSA-N 0 3 193.225 1.622 20 0 ADADHN CCN(CC)Cc1ccc(OC)nc1 308555703 491111444 /nfs/dbraw/zinc/11/14/44/491111444.db2.gz ZPACVNSYEJFKAB-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CCCCN(CCO)Cc1cn[nH]c1 308514835 491109718 /nfs/dbraw/zinc/10/97/18/491109718.db2.gz UORKMXKOSRQWLY-UHFFFAOYSA-N 0 3 197.282 1.004 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1cccn1C 308513224 491109628 /nfs/dbraw/zinc/10/96/28/491109628.db2.gz LSDNSDKJTXTQLT-NXEZZACHSA-N 0 3 196.294 1.538 20 0 ADADHN CC(C)(C)CCCNC1(C(N)=O)CC1 308515664 491109644 /nfs/dbraw/zinc/10/96/44/491109644.db2.gz MQNKIKGXXKARBC-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CCn1cc([C@H](C)NCCCF)cn1 308513071 491109693 /nfs/dbraw/zinc/10/96/93/491109693.db2.gz CWFKEQNPQOLWGP-VIFPVBQESA-N 0 3 199.273 1.913 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1cccn1C 308513227 491109752 /nfs/dbraw/zinc/10/97/52/491109752.db2.gz LSDNSDKJTXTQLT-ZJUUUORDSA-N 0 3 196.294 1.538 20 0 ADADHN CCn1cc([C@@H](C)NCCCF)cn1 308513070 491109775 /nfs/dbraw/zinc/10/97/75/491109775.db2.gz CWFKEQNPQOLWGP-SECBINFHSA-N 0 3 199.273 1.913 20 0 ADADHN OCC1(NCc2ccno2)CCCC1 308520077 491110197 /nfs/dbraw/zinc/11/01/97/491110197.db2.gz RKEYWQSDOZHJKY-UHFFFAOYSA-N 0 3 196.250 1.069 20 0 ADADHN OCCNC1(c2cccc(F)c2)CC1 308526988 491110306 /nfs/dbraw/zinc/11/03/06/491110306.db2.gz XWXGSQUHNKWASJ-UHFFFAOYSA-N 0 3 195.237 1.397 20 0 ADADHN CCNC(=O)[C@@H](C)NC1CC(C)(C)C1 308534744 491110510 /nfs/dbraw/zinc/11/05/10/491110510.db2.gz SGGDZXXKFKYHPP-MRVPVSSYSA-N 0 3 198.310 1.289 20 0 ADADHN CCNC(=O)[C@H](C)NC1CC(C)(C)C1 308534746 491110533 /nfs/dbraw/zinc/11/05/33/491110533.db2.gz SGGDZXXKFKYHPP-QMMMGPOBSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@@H](C)N(CCO)Cc1ccno1 308534162 491110587 /nfs/dbraw/zinc/11/05/87/491110587.db2.gz LTPZGBBAKDXYRY-SECBINFHSA-N 0 3 198.266 1.267 20 0 ADADHN CC(C)NC(=O)CN[C@H]1CCC1(C)C 308530192 491110595 /nfs/dbraw/zinc/11/05/95/491110595.db2.gz KMYKYLAABHOTTB-VIFPVBQESA-N 0 3 198.310 1.289 20 0 ADADHN CC(C)NC(=O)CN[C@@H]1CCC1(C)C 308530191 491110630 /nfs/dbraw/zinc/11/06/30/491110630.db2.gz KMYKYLAABHOTTB-SECBINFHSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@H](C)N(CCO)Cc1ccno1 308534164 491110628 /nfs/dbraw/zinc/11/06/28/491110628.db2.gz LTPZGBBAKDXYRY-VIFPVBQESA-N 0 3 198.266 1.267 20 0 ADADHN CC(C)CC[C@@H](C)NC1(C(N)=O)CC1 308540924 491110775 /nfs/dbraw/zinc/11/07/75/491110775.db2.gz UPBZFVJPQYGDJV-SECBINFHSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)CC[C@H](C)NC1(C(N)=O)CC1 308540929 491110876 /nfs/dbraw/zinc/11/08/76/491110876.db2.gz UPBZFVJPQYGDJV-VIFPVBQESA-N 0 3 198.310 1.419 20 0 ADADHN CCc1cc(CNC[C@@H]2C[C@@H]2C)on1 308544126 491110987 /nfs/dbraw/zinc/11/09/87/491110987.db2.gz VHXYJLKRKAQTRD-IUCAKERBSA-N 0 3 194.278 1.983 20 0 ADADHN CCc1cc(CNC[C@@H]2C[C@H]2C)on1 308544124 491111047 /nfs/dbraw/zinc/11/10/47/491111047.db2.gz VHXYJLKRKAQTRD-BDAKNGLRSA-N 0 3 194.278 1.983 20 0 ADADHN CCc1cc(CNC[C@H]2C[C@@H]2C)on1 308544125 491111138 /nfs/dbraw/zinc/11/11/38/491111138.db2.gz VHXYJLKRKAQTRD-DTWKUNHWSA-N 0 3 194.278 1.983 20 0 ADADHN CCc1cc(CNC[C@H]2C[C@H]2C)on1 308544127 491111142 /nfs/dbraw/zinc/11/11/42/491111142.db2.gz VHXYJLKRKAQTRD-RKDXNWHRSA-N 0 3 194.278 1.983 20 0 ADADHN CCCN[C@H](c1nncn1C)C(C)C 308547860 491111285 /nfs/dbraw/zinc/11/12/85/491111285.db2.gz WGRYYRZWGNTSPH-VIFPVBQESA-N 0 3 196.298 1.512 20 0 ADADHN CCCN[C@@H](c1nncn1C)C(C)C 308547858 491111320 /nfs/dbraw/zinc/11/13/20/491111320.db2.gz WGRYYRZWGNTSPH-SECBINFHSA-N 0 3 196.298 1.512 20 0 ADADHN Cn1nncc1CNCCC1(C)CC1 308547411 491111334 /nfs/dbraw/zinc/11/13/34/491111334.db2.gz PXHZMZPJRLKKSH-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN c1nc(CNC(C2CC2)C2CC2)co1 308553871 491111498 /nfs/dbraw/zinc/11/14/98/491111498.db2.gz YNBOJSKXZSZVDC-UHFFFAOYSA-N 0 3 192.262 1.953 20 0 ADADHN CC[C@@H](CNCc1cccnc1)OC 308558456 491111636 /nfs/dbraw/zinc/11/16/36/491111636.db2.gz CPHXQGBISHHVGY-NSHDSACASA-N 0 3 194.278 1.596 20 0 ADADHN CC[C@@H](CNCc1ccncc1)OC 308561281 491111657 /nfs/dbraw/zinc/11/16/57/491111657.db2.gz FKGAPMXBVRGHEF-NSHDSACASA-N 0 3 194.278 1.596 20 0 ADADHN C[C@@H](NC[C@@H](C)N(C)C)c1cn[nH]c1 308558962 491111679 /nfs/dbraw/zinc/11/16/79/491111679.db2.gz UVWLTOOUZXSMER-RKDXNWHRSA-N 0 3 196.298 1.010 20 0 ADADHN C[C@H](NC[C@H](C)N(C)C)c1cn[nH]c1 308558961 491111703 /nfs/dbraw/zinc/11/17/03/491111703.db2.gz UVWLTOOUZXSMER-IUCAKERBSA-N 0 3 196.298 1.010 20 0 ADADHN C[C@H](NC[C@@H](C)N(C)C)c1cn[nH]c1 308558959 491111738 /nfs/dbraw/zinc/11/17/38/491111738.db2.gz UVWLTOOUZXSMER-BDAKNGLRSA-N 0 3 196.298 1.010 20 0 ADADHN CC[C@H](CNCc1ccncc1)OC 308561280 491111743 /nfs/dbraw/zinc/11/17/43/491111743.db2.gz FKGAPMXBVRGHEF-LLVKDONJSA-N 0 3 194.278 1.596 20 0 ADADHN C[C@@H](CN[C@H](C)c1cn[nH]c1)N(C)C 308558960 491111746 /nfs/dbraw/zinc/11/17/46/491111746.db2.gz UVWLTOOUZXSMER-DTWKUNHWSA-N 0 3 196.298 1.010 20 0 ADADHN CC[C@H](CNCc1cccnc1)OC 308558455 491111793 /nfs/dbraw/zinc/11/17/93/491111793.db2.gz CPHXQGBISHHVGY-LLVKDONJSA-N 0 3 194.278 1.596 20 0 ADADHN CC(C)[C@@H](Cn1cccn1)NCCF 308566150 491111850 /nfs/dbraw/zinc/11/18/50/491111850.db2.gz YKBXKPNOFFWSBJ-SNVBAGLBSA-N 0 3 199.273 1.467 20 0 ADADHN CC(C)[C@H](Cn1cccn1)NCCF 308566148 491111942 /nfs/dbraw/zinc/11/19/42/491111942.db2.gz YKBXKPNOFFWSBJ-JTQLQIEISA-N 0 3 199.273 1.467 20 0 ADADHN COCC[C@H](C)NCc1n[nH]cc1C 308631234 491114985 /nfs/dbraw/zinc/11/49/85/491114985.db2.gz ZAQSIFWRFDEDSL-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN CC[C@@H](CNCc1ccccn1)OC 308570808 491112085 /nfs/dbraw/zinc/11/20/85/491112085.db2.gz KEDXNVOXCBVLLF-NSHDSACASA-N 0 3 194.278 1.596 20 0 ADADHN CCc1cccnc1[C@@H](C)NCCO 308629599 491115004 /nfs/dbraw/zinc/11/50/04/491115004.db2.gz YJTGMEHWOMDKGT-SECBINFHSA-N 0 3 194.278 1.287 20 0 ADADHN CNCC(=O)N(C1CCCC1)C1CC1 308570109 491112088 /nfs/dbraw/zinc/11/20/88/491112088.db2.gz BTCHLWYBDFBZNL-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN COCC1(NCc2cc[nH]c2)CCC1 308570121 491112099 /nfs/dbraw/zinc/11/20/99/491112099.db2.gz BTTCMCGKZCZZKS-UHFFFAOYSA-N 0 3 194.278 1.673 20 0 ADADHN CC[C@H](CNCc1ccccn1)OC 308570807 491112181 /nfs/dbraw/zinc/11/21/81/491112181.db2.gz KEDXNVOXCBVLLF-LLVKDONJSA-N 0 3 194.278 1.596 20 0 ADADHN CNCC(=O)N(C(C)C)C1CCCC1 308576758 491112247 /nfs/dbraw/zinc/11/22/47/491112247.db2.gz DUBJXKHERBMORV-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN Cc1c[nH]nc1CN[C@H](C)C1CCC1 308630365 491115014 /nfs/dbraw/zinc/11/50/14/491115014.db2.gz YRIHKXDANFAYND-SECBINFHSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]nc1CN[C@@H](C)C1CCC1 308630366 491115017 /nfs/dbraw/zinc/11/50/17/491115017.db2.gz YRIHKXDANFAYND-VIFPVBQESA-N 0 3 193.294 1.996 20 0 ADADHN CO[C@@H](C)CCNCc1n[nH]cc1C 308577785 491112451 /nfs/dbraw/zinc/11/24/51/491112451.db2.gz FDURMCAYRYPIAX-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN CO[C@H](C)CCNCc1n[nH]cc1C 308577783 491112579 /nfs/dbraw/zinc/11/25/79/491112579.db2.gz FDURMCAYRYPIAX-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN CC[C@H](CNCc1cccn1C)OC 308580668 491112744 /nfs/dbraw/zinc/11/27/44/491112744.db2.gz PAEZEMVUUIMLBW-LLVKDONJSA-N 0 3 196.294 1.540 20 0 ADADHN CC[C@@H](CNCc1cccn1C)OC 308580669 491112776 /nfs/dbraw/zinc/11/27/76/491112776.db2.gz PAEZEMVUUIMLBW-NSHDSACASA-N 0 3 196.294 1.540 20 0 ADADHN Cc1cc(CN[C@H](C)C2CC2)ncn1 308589591 491113226 /nfs/dbraw/zinc/11/32/26/491113226.db2.gz JTVGWXYVOUCYDX-SECBINFHSA-N 0 3 191.278 1.673 20 0 ADADHN CC[C@@H](C)CNCc1cc(C)ncn1 308591347 491113256 /nfs/dbraw/zinc/11/32/56/491113256.db2.gz KLISJRLDSVLHGI-SECBINFHSA-N 0 3 193.294 1.921 20 0 ADADHN Cc1cc(CN[C@@H](C)C2CC2)ncn1 308589594 491113293 /nfs/dbraw/zinc/11/32/93/491113293.db2.gz JTVGWXYVOUCYDX-VIFPVBQESA-N 0 3 191.278 1.673 20 0 ADADHN CCCNC(=O)CNC1CC(C)(C)C1 308590505 491113325 /nfs/dbraw/zinc/11/33/25/491113325.db2.gz KDVSYTMOGKFKRY-UHFFFAOYSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@H](C)CNCc1cc(C)ncn1 308591354 491113391 /nfs/dbraw/zinc/11/33/91/491113391.db2.gz KLISJRLDSVLHGI-VIFPVBQESA-N 0 3 193.294 1.921 20 0 ADADHN Cn1cnc(CNCCCC2CC2)c1 308594824 491113477 /nfs/dbraw/zinc/11/34/77/491113477.db2.gz XYXXSSHBSUSJRJ-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN COCC1(NCc2ccncc2)CC1 308593798 491113499 /nfs/dbraw/zinc/11/34/99/491113499.db2.gz LKYLLYQFCYJXHT-UHFFFAOYSA-N 0 3 192.262 1.350 20 0 ADADHN CCC1(CNCc2ccco2)COC1 308593523 491113522 /nfs/dbraw/zinc/11/35/22/491113522.db2.gz LHTGXKHKTYXMFX-UHFFFAOYSA-N 0 3 195.262 1.796 20 0 ADADHN COCC1(NCc2cccnc2)CC1 308622233 491114684 /nfs/dbraw/zinc/11/46/84/491114684.db2.gz UNGYRYNLUJBHFG-UHFFFAOYSA-N 0 3 192.262 1.350 20 0 ADADHN Cc1ccc([C@H](C)NCCO)c(C)n1 308599427 491113761 /nfs/dbraw/zinc/11/37/61/491113761.db2.gz AIJPJAMAIBPJEO-VIFPVBQESA-N 0 3 194.278 1.341 20 0 ADADHN CCN(C)C(=O)CNC1CC(C)(C)C1 308599145 491113830 /nfs/dbraw/zinc/11/38/30/491113830.db2.gz NSGCABUYLHKEAW-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1ccc([C@@H](C)NCCO)c(C)n1 308599420 491113898 /nfs/dbraw/zinc/11/38/98/491113898.db2.gz AIJPJAMAIBPJEO-SECBINFHSA-N 0 3 194.278 1.341 20 0 ADADHN CC[C@H](C)N[C@@H](C)c1ccc(=O)[nH]n1 308610899 491114123 /nfs/dbraw/zinc/11/41/23/491114123.db2.gz QQZHOXCEQIFDCA-YUMQZZPRSA-N 0 3 195.266 1.219 20 0 ADADHN CC[C@@H](C)N[C@H](C)c1ccc(=O)[nH]n1 308610896 491114155 /nfs/dbraw/zinc/11/41/55/491114155.db2.gz QQZHOXCEQIFDCA-HTQZYQBOSA-N 0 3 195.266 1.219 20 0 ADADHN CCNC(=O)CNC1CC2(CCC2)C1 308611331 491114207 /nfs/dbraw/zinc/11/42/07/491114207.db2.gz QTEDNLDVTUFTDT-UHFFFAOYSA-N 0 3 196.294 1.045 20 0 ADADHN CC[C@H](C)N[C@H](C)c1ccc(=O)[nH]n1 308610897 491114217 /nfs/dbraw/zinc/11/42/17/491114217.db2.gz QQZHOXCEQIFDCA-JGVFFNPUSA-N 0 3 195.266 1.219 20 0 ADADHN CC[C@@H](C)N[C@@H](C)c1ccc(=O)[nH]n1 308610898 491114244 /nfs/dbraw/zinc/11/42/44/491114244.db2.gz QQZHOXCEQIFDCA-SFYZADRCSA-N 0 3 195.266 1.219 20 0 ADADHN CC(C)n1nccc1CNCCCF 308643032 491115546 /nfs/dbraw/zinc/11/55/46/491115546.db2.gz FWKKZDRVLGIKOQ-UHFFFAOYSA-N 0 3 199.273 1.913 20 0 ADADHN COCC[C@@H](C)NCc1n[nH]cc1C 308631233 491115083 /nfs/dbraw/zinc/11/50/83/491115083.db2.gz ZAQSIFWRFDEDSL-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN CCc1cccnc1[C@H](C)NCCO 308629600 491115094 /nfs/dbraw/zinc/11/50/94/491115094.db2.gz YJTGMEHWOMDKGT-VIFPVBQESA-N 0 3 194.278 1.287 20 0 ADADHN CC(C)=CCCNCc1cnnn1C 308635537 491115159 /nfs/dbraw/zinc/11/51/59/491115159.db2.gz CFWLOXSRDJMYSA-UHFFFAOYSA-N 0 3 194.282 1.261 20 0 ADADHN CCC1(CNCc2n[nH]cc2C)CC1 308633395 491115234 /nfs/dbraw/zinc/11/52/34/491115234.db2.gz ZWRBYUSVWYXDIX-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN C[C@H](CCCCO)NCc1cc[nH]n1 308640499 491115411 /nfs/dbraw/zinc/11/54/11/491115411.db2.gz DPZLWGQIOVAEHT-SECBINFHSA-N 0 3 197.282 1.050 20 0 ADADHN C[C@@H](CCCCO)NCc1cc[nH]n1 308640501 491115436 /nfs/dbraw/zinc/11/54/36/491115436.db2.gz DPZLWGQIOVAEHT-VIFPVBQESA-N 0 3 197.282 1.050 20 0 ADADHN Cc1cc([C@H](C)NCCO)ccc1F 308642831 491115569 /nfs/dbraw/zinc/11/55/69/491115569.db2.gz FSKQQHMYQQGEBB-VIFPVBQESA-N 0 3 197.253 1.777 20 0 ADADHN CC(C)NC(=O)CNC1CC(C)(C)C1 308651266 491115957 /nfs/dbraw/zinc/11/59/57/491115957.db2.gz KPJXSROEOZDSQL-UHFFFAOYSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H](CCCCO)NCc1ccoc1 308649085 491116042 /nfs/dbraw/zinc/11/60/42/491116042.db2.gz JHECKUOYTZKDHN-SNVBAGLBSA-N 0 3 197.278 1.920 20 0 ADADHN C[C@@H](CCCCO)NCc1ccoc1 308649084 491116078 /nfs/dbraw/zinc/11/60/78/491116078.db2.gz JHECKUOYTZKDHN-JTQLQIEISA-N 0 3 197.278 1.920 20 0 ADADHN CC(C)=CCCNCc1cn(C)cn1 308652186 491116205 /nfs/dbraw/zinc/11/62/05/491116205.db2.gz LIMKKLFHSDLWLZ-UHFFFAOYSA-N 0 3 193.294 1.866 20 0 ADADHN Cc1cc(CNC[C@@H]2C[C@H]2C)ncn1 308659077 491116331 /nfs/dbraw/zinc/11/63/31/491116331.db2.gz PFRQMTNMZYQGQB-SCZZXKLOSA-N 0 3 191.278 1.531 20 0 ADADHN C[C@@H](CC(C)(C)O)NCc1ccco1 308655280 491116342 /nfs/dbraw/zinc/11/63/42/491116342.db2.gz NSRBZNOPORRTCX-VIFPVBQESA-N 0 3 197.278 1.919 20 0 ADADHN Cc1cc(CNC[C@@H]2C[C@@H]2C)ncn1 308659080 491116344 /nfs/dbraw/zinc/11/63/44/491116344.db2.gz PFRQMTNMZYQGQB-WPRPVWTQSA-N 0 3 191.278 1.531 20 0 ADADHN CC(C)C[C@H](C)CNC1(C(N)=O)CC1 308660039 491116363 /nfs/dbraw/zinc/11/63/63/491116363.db2.gz PNVJUQXAUUVBSY-VIFPVBQESA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H](CC(C)(C)O)NCc1ccco1 308655279 491116384 /nfs/dbraw/zinc/11/63/84/491116384.db2.gz NSRBZNOPORRTCX-SECBINFHSA-N 0 3 197.278 1.919 20 0 ADADHN Cc1cc(CNC[C@H]2C[C@@H]2C)ncn1 308659079 491116391 /nfs/dbraw/zinc/11/63/91/491116391.db2.gz PFRQMTNMZYQGQB-WCBMZHEXSA-N 0 3 191.278 1.531 20 0 ADADHN Cc1cc(CNC[C@H]2C[C@H]2C)ncn1 308659076 491116395 /nfs/dbraw/zinc/11/63/95/491116395.db2.gz PFRQMTNMZYQGQB-PSASIEDQSA-N 0 3 191.278 1.531 20 0 ADADHN CC(C)C[C@@H](C)CNC1(C(N)=O)CC1 308660036 491116401 /nfs/dbraw/zinc/11/64/01/491116401.db2.gz PNVJUQXAUUVBSY-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H](NCCN1CCC1)c1ccoc1 308662630 491116439 /nfs/dbraw/zinc/11/64/39/491116439.db2.gz QWJVBFCELGPUQS-JTQLQIEISA-N 0 3 194.278 1.636 20 0 ADADHN C[C@@H](NCCN1CCC1)c1ccoc1 308662635 491116469 /nfs/dbraw/zinc/11/64/69/491116469.db2.gz QWJVBFCELGPUQS-SNVBAGLBSA-N 0 3 194.278 1.636 20 0 ADADHN C[C@H](CC1CCC1)NC1(C(N)=O)CC1 308660911 491116506 /nfs/dbraw/zinc/11/65/06/491116506.db2.gz PVNKDYKYHISUFW-MRVPVSSYSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@@H](CC1CCC1)NC1(C(N)=O)CC1 308660912 491116518 /nfs/dbraw/zinc/11/65/18/491116518.db2.gz PVNKDYKYHISUFW-QMMMGPOBSA-N 0 3 196.294 1.173 20 0 ADADHN Cc1n[nH]cc1[C@H](C)NCCCCO 308662829 491116564 /nfs/dbraw/zinc/11/65/64/491116564.db2.gz QXFVZICXYRUTOS-QMMMGPOBSA-N 0 3 197.282 1.141 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)NCCCCO 308662677 491116571 /nfs/dbraw/zinc/11/65/71/491116571.db2.gz QXFVZICXYRUTOS-MRVPVSSYSA-N 0 3 197.282 1.141 20 0 ADADHN CC1(C)CC(CNCc2cc[nH]n2)C1 308663760 491116589 /nfs/dbraw/zinc/11/65/89/491116589.db2.gz RHJPFUQSUJKHJM-UHFFFAOYSA-N 0 3 193.294 1.936 20 0 ADADHN CC(C)n1nccc1CNCC1CC1 308660920 491116594 /nfs/dbraw/zinc/11/65/94/491116594.db2.gz PVZDKFKNECZYBI-UHFFFAOYSA-N 0 3 193.294 1.964 20 0 ADADHN C[C@H](NC[C@@H]1C[C@H]1C)c1nncn1C 308664295 491116644 /nfs/dbraw/zinc/11/66/44/491116644.db2.gz ROVJVQHFPWWIPN-VGMNWLOBSA-N 0 3 194.282 1.122 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H]1C)c1nncn1C 308664296 491116651 /nfs/dbraw/zinc/11/66/51/491116651.db2.gz ROVJVQHFPWWIPN-XHNCKOQMSA-N 0 3 194.282 1.122 20 0 ADADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1nncn1C 308664293 491116656 /nfs/dbraw/zinc/11/66/56/491116656.db2.gz ROVJVQHFPWWIPN-CIUDSAMLSA-N 0 3 194.282 1.122 20 0 ADADHN C[C@H](NC[C@H]1C[C@H]1C)c1nncn1C 308664294 491116709 /nfs/dbraw/zinc/11/67/09/491116709.db2.gz ROVJVQHFPWWIPN-HRDYMLBCSA-N 0 3 194.282 1.122 20 0 ADADHN Cc1cncc([C@H](C)N[C@H](C)CO)c1 308667987 491116879 /nfs/dbraw/zinc/11/68/79/491116879.db2.gz UFJKYTNQEIGPBF-ZJUUUORDSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1cncc([C@@H](C)N[C@H](C)CO)c1 308667984 491116956 /nfs/dbraw/zinc/11/69/56/491116956.db2.gz UFJKYTNQEIGPBF-NXEZZACHSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1cncc([C@@H](C)N[C@@H](C)CO)c1 308667986 491117018 /nfs/dbraw/zinc/11/70/18/491117018.db2.gz UFJKYTNQEIGPBF-VHSXEESVSA-N 0 3 194.278 1.421 20 0 ADADHN Cc1cncc([C@H](C)N[C@@H](C)CO)c1 308667985 491117043 /nfs/dbraw/zinc/11/70/43/491117043.db2.gz UFJKYTNQEIGPBF-UWVGGRQHSA-N 0 3 194.278 1.421 20 0 ADADHN CC(C)=CCCNCc1cncn1C 308680971 491117479 /nfs/dbraw/zinc/11/74/79/491117479.db2.gz XPKQGKIFHVFUOB-UHFFFAOYSA-N 0 3 193.294 1.866 20 0 ADADHN CCC[C@H](C)N[C@H](C)c1ncnn1C 308717604 491117756 /nfs/dbraw/zinc/11/77/56/491117756.db2.gz BYFSYEKHVLUUHA-DTWKUNHWSA-N 0 3 196.298 1.654 20 0 ADADHN CCC[C@@H](C)N[C@@H](C)c1ncnn1C 308717603 491117774 /nfs/dbraw/zinc/11/77/74/491117774.db2.gz BYFSYEKHVLUUHA-BDAKNGLRSA-N 0 3 196.298 1.654 20 0 ADADHN Cn1ccc(CNCCC2(C)CC2)n1 308718129 491117837 /nfs/dbraw/zinc/11/78/37/491117837.db2.gz CBSDIUBKAVNUGG-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN Cc1ccoc1CNCCN1CCC1 308695759 491117846 /nfs/dbraw/zinc/11/78/46/491117846.db2.gz QCJSJBHFPKQVJV-UHFFFAOYSA-N 0 3 194.278 1.383 20 0 ADADHN CCC[C@@H](C)N[C@H](C)c1ncnn1C 308717606 491117853 /nfs/dbraw/zinc/11/78/53/491117853.db2.gz BYFSYEKHVLUUHA-RKDXNWHRSA-N 0 3 196.298 1.654 20 0 ADADHN CCC[C@H](C)N[C@@H](C)c1ncnn1C 308717605 491117881 /nfs/dbraw/zinc/11/78/81/491117881.db2.gz BYFSYEKHVLUUHA-IUCAKERBSA-N 0 3 196.298 1.654 20 0 ADADHN Cn1cc(CNC2(C3CC3)CC2)cn1 308730893 491118258 /nfs/dbraw/zinc/11/82/58/491118258.db2.gz JGQVGBDISSSKTB-UHFFFAOYSA-N 0 3 191.278 1.452 20 0 ADADHN CC[C@@H](NCCO)c1c(C)noc1C 308735393 491118449 /nfs/dbraw/zinc/11/84/49/491118449.db2.gz LEMARUUEDVMBJT-SECBINFHSA-N 0 3 198.266 1.324 20 0 ADADHN CC[C@H](NCCO)c1c(C)noc1C 308735394 491118488 /nfs/dbraw/zinc/11/84/88/491118488.db2.gz LEMARUUEDVMBJT-VIFPVBQESA-N 0 3 198.266 1.324 20 0 ADADHN CC[C@H]1CC[C@@H]1NCc1nccn1C 308740823 491118623 /nfs/dbraw/zinc/11/86/23/491118623.db2.gz OPYAQQVRMININY-UWVGGRQHSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@@H]1CC[C@H]1NCc1nccn1C 308740822 491118635 /nfs/dbraw/zinc/11/86/35/491118635.db2.gz OPYAQQVRMININY-NXEZZACHSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@@H]1CC[C@@H]1NCc1nccn1C 308740825 491118638 /nfs/dbraw/zinc/11/86/38/491118638.db2.gz OPYAQQVRMININY-ZJUUUORDSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@H]1CC[C@H]1NCc1nccn1C 308740824 491118663 /nfs/dbraw/zinc/11/86/63/491118663.db2.gz OPYAQQVRMININY-VHSXEESVSA-N 0 3 193.294 1.698 20 0 ADADHN Cc1cc(CNCC2(C)CC2)ncn1 308739084 491118691 /nfs/dbraw/zinc/11/86/91/491118691.db2.gz NKHGCPMESBEMEP-UHFFFAOYSA-N 0 3 191.278 1.675 20 0 ADADHN Cc1n[nH]cc1CNC1(C2CC2)CC1 308748373 491118718 /nfs/dbraw/zinc/11/87/18/491118718.db2.gz SNJIBNCRRBIJMF-UHFFFAOYSA-N 0 3 191.278 1.750 20 0 ADADHN Cc1noc(C)c1C(C)(C)NCCO 308749069 491118741 /nfs/dbraw/zinc/11/87/41/491118741.db2.gz SUSHMVCUHWMLOK-UHFFFAOYSA-N 0 3 198.266 1.108 20 0 ADADHN CC[C@]1(NCc2c[nH]cn2)CCOC1 308755114 491118902 /nfs/dbraw/zinc/11/89/02/491118902.db2.gz WANFTRMPQZUVNF-JTQLQIEISA-N 0 3 195.266 1.068 20 0 ADADHN CC[C@]1(NCc2cnc[nH]2)CCOC1 308755114 491118903 /nfs/dbraw/zinc/11/89/03/491118903.db2.gz WANFTRMPQZUVNF-JTQLQIEISA-N 0 3 195.266 1.068 20 0 ADADHN CC[C@H]1CC[C@H]1NCc1cc(C)n[nH]1 308761804 491118942 /nfs/dbraw/zinc/11/89/42/491118942.db2.gz YGSYHBMCMHMGDS-GXSJLCMTSA-N 0 3 193.294 1.996 20 0 ADADHN CC[C@@H]1CC[C@@H]1NCc1cc(C)n[nH]1 308761805 491118956 /nfs/dbraw/zinc/11/89/56/491118956.db2.gz YGSYHBMCMHMGDS-KOLCDFICSA-N 0 3 193.294 1.996 20 0 ADADHN CC[C@H]1CC[C@@H]1NCc1cc(C)n[nH]1 308761807 491118979 /nfs/dbraw/zinc/11/89/79/491118979.db2.gz YGSYHBMCMHMGDS-ONGXEEELSA-N 0 3 193.294 1.996 20 0 ADADHN Cn1cc(C(C)(C)NCCCF)cn1 308761803 491118988 /nfs/dbraw/zinc/11/89/88/491118988.db2.gz YGMAHAOUIFBYMO-UHFFFAOYSA-N 0 3 199.273 1.604 20 0 ADADHN CC[C@@H]1CC[C@H]1NCc1cc(C)n[nH]1 308761806 491119011 /nfs/dbraw/zinc/11/90/11/491119011.db2.gz YGSYHBMCMHMGDS-MWLCHTKSSA-N 0 3 193.294 1.996 20 0 ADADHN CC[C@@]1(NCc2c[nH]cn2)CCOC1 308755120 491119031 /nfs/dbraw/zinc/11/90/31/491119031.db2.gz WANFTRMPQZUVNF-SNVBAGLBSA-N 0 3 195.266 1.068 20 0 ADADHN CC[C@@]1(NCc2cnc[nH]2)CCOC1 308755120 491119032 /nfs/dbraw/zinc/11/90/32/491119032.db2.gz WANFTRMPQZUVNF-SNVBAGLBSA-N 0 3 195.266 1.068 20 0 ADADHN Cc1ccc(CN(C)C[C@H](C)O)cn1 405531708 491119845 /nfs/dbraw/zinc/11/98/45/491119845.db2.gz BQUNDCUWTVCINB-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN C[C@@H]1CN(Cc2cnccn2)C[C@H]1C 335146159 491119218 /nfs/dbraw/zinc/11/92/18/491119218.db2.gz IOEBNTNGZVBMEA-NXEZZACHSA-N 0 3 191.278 1.564 20 0 ADADHN CCN(CCO)Cc1ccc(C)nc1 405566685 491119857 /nfs/dbraw/zinc/11/98/57/491119857.db2.gz VLFORDOJFVLMEL-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN C[C@@H]1CN(Cc2cnccn2)C[C@@H]1C 335146156 491119244 /nfs/dbraw/zinc/11/92/44/491119244.db2.gz IOEBNTNGZVBMEA-AOOOYVTPSA-N 0 3 191.278 1.564 20 0 ADADHN CCN(C)[C@@H](CO)c1ccccc1 591470365 491120252 /nfs/dbraw/zinc/12/02/52/491120252.db2.gz RXSBYOBZUQNNPD-NSHDSACASA-N 0 3 179.263 1.672 20 0 ADADHN COCCNCc1ncccc1C 53292947 1188769076 /nfs/dbraw/zinc/76/90/76/1188769076.db2.gz FMEMABNLCJVANX-UHFFFAOYSA-N 0 3 180.251 1.126 20 0 ADADHN c1csc(CNCc2cnc[nH]2)c1 54763673 1188769461 /nfs/dbraw/zinc/76/94/61/1188769461.db2.gz JFVZEVFQTPQORR-UHFFFAOYSA-N 0 3 193.275 1.761 20 0 ADADHN CCCC1CCN([C@@H](C)C(N)=O)CC1 61679491 1188772677 /nfs/dbraw/zinc/77/26/77/1188772677.db2.gz QGBNYMPVBAZJAJ-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CCCC1CCN([C@H](C)C(N)=O)CC1 61679492 1188772851 /nfs/dbraw/zinc/77/28/51/1188772851.db2.gz QGBNYMPVBAZJAJ-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CCCC[C@H](N)C(=O)Nc1ccon1 61684298 1188772872 /nfs/dbraw/zinc/77/28/72/1188772872.db2.gz BVBCKLMDZNDBLL-ZETCQYMHSA-N 0 3 197.238 1.131 20 0 ADADHN CCCC[C@@H](N)C(=O)Nc1cnoc1 61684923 1188772954 /nfs/dbraw/zinc/77/29/54/1188772954.db2.gz YOESITMKZXWASZ-MRVPVSSYSA-N 0 3 197.238 1.131 20 0 ADADHN CCCC[C@@H](N)C(=O)Nc1ccon1 61684299 1188773025 /nfs/dbraw/zinc/77/30/25/1188773025.db2.gz BVBCKLMDZNDBLL-SSDOTTSWSA-N 0 3 197.238 1.131 20 0 ADADHN CCCC[C@H](N)C(=O)Nc1cnoc1 61684922 1188773044 /nfs/dbraw/zinc/77/30/44/1188773044.db2.gz YOESITMKZXWASZ-QMMMGPOBSA-N 0 3 197.238 1.131 20 0 ADADHN CCC1(CC)CCN(C(=O)CN)CC1 62958078 1188773668 /nfs/dbraw/zinc/77/36/68/1188773668.db2.gz LHXNJARSJBIPPI-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CC(C)NC(=O)[C@H](N)C1CCCCC1 77296408 1188774961 /nfs/dbraw/zinc/77/49/61/1188774961.db2.gz BAVSQPSOWLULHD-SNVBAGLBSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)C(NC(=O)[C@H](C)N)C(C)C 75577415 1188775008 /nfs/dbraw/zinc/77/50/08/1188775008.db2.gz UBLUOJKPVQRUOZ-QMMMGPOBSA-N 0 3 186.299 1.130 20 0 ADADHN CC(C)NC(=O)[C@@H](N)C1CCCCC1 77296409 1188775234 /nfs/dbraw/zinc/77/52/34/1188775234.db2.gz BAVSQPSOWLULHD-JTQLQIEISA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)C(NC(=O)[C@@H](C)N)C(C)C 75577414 1188775428 /nfs/dbraw/zinc/77/54/28/1188775428.db2.gz UBLUOJKPVQRUOZ-MRVPVSSYSA-N 0 3 186.299 1.130 20 0 ADADHN CC[C@@H](N)C(=O)NCCC1CCC1 157681425 1188779401 /nfs/dbraw/zinc/77/94/01/1188779401.db2.gz ZOBMUDFOUJWFTP-SECBINFHSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H](N)C(=O)NCCC1CCC1 157681283 1188779704 /nfs/dbraw/zinc/77/97/04/1188779704.db2.gz ZOBMUDFOUJWFTP-VIFPVBQESA-N 0 3 184.283 1.030 20 0 ADADHN C/C=C/C=C/C(=O)N(C)CCN(C)C 169812636 1188782230 /nfs/dbraw/zinc/78/22/30/1188782230.db2.gz YJBZJSYCHCMQNV-BSWSSELBSA-N 0 3 196.294 1.139 20 0 ADADHN CCN(C)Cc1ccoc1 203092515 1188784966 /nfs/dbraw/zinc/78/49/66/1188784966.db2.gz OUPUPQSTMIJPBJ-UHFFFAOYSA-N 0 3 139.198 1.731 20 0 ADADHN CN(CC1OCCO1)C(C)(C)C 203162601 1188785149 /nfs/dbraw/zinc/78/51/49/1188785149.db2.gz YXLARQKOBRHSGK-UHFFFAOYSA-N 0 3 173.256 1.090 20 0 ADADHN CCCC[C@@H](N)C(=O)NCC=C(C)C 229071991 1188790882 /nfs/dbraw/zinc/79/08/82/1188790882.db2.gz IRZSDVLVPRZSDM-SNVBAGLBSA-N 0 3 198.310 1.586 20 0 ADADHN CCCC[C@H](N)C(=O)NCC=C(C)C 229062667 1188790920 /nfs/dbraw/zinc/79/09/20/1188790920.db2.gz IRZSDVLVPRZSDM-JTQLQIEISA-N 0 3 198.310 1.586 20 0 ADADHN Cc1nnc(C2CCN(C)CC2)o1 307709508 1188809552 /nfs/dbraw/zinc/80/95/52/1188809552.db2.gz MPALGHJIIDFGEW-UHFFFAOYSA-N 0 3 181.239 1.187 20 0 ADADHN C[C@H](CCO)NCc1cccc(F)n1 308637948 1188812733 /nfs/dbraw/zinc/81/27/33/1188812733.db2.gz CYGHHKBLZNEURV-MRVPVSSYSA-N 0 3 198.241 1.081 20 0 ADADHN CCCC[C@H](N)C(=O)N1CC(C)(C)C1 309731574 1188813272 /nfs/dbraw/zinc/81/32/72/1188813272.db2.gz SBPPEDWQHWHNDG-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CCCC[C@@H](N)C(=O)N1CC(C)(C)C1 309801563 1188813351 /nfs/dbraw/zinc/81/33/51/1188813351.db2.gz SBPPEDWQHWHNDG-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H]1CCCN1C(=O)[C@@H](C)N 396767738 1188822755 /nfs/dbraw/zinc/82/27/55/1188822755.db2.gz FHOZSNGORPUPTJ-BDAKNGLRSA-N 0 3 184.283 1.125 20 0 ADADHN CCC[C@H]1CCCN1C(=O)[C@@H](N)CC 396779826 1188822810 /nfs/dbraw/zinc/82/28/10/1188822810.db2.gz UKYFDPVQMHHIAM-UWVGGRQHSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@@H]1CCCN1C(=O)[C@H](N)CC 396779825 1188822832 /nfs/dbraw/zinc/82/28/32/1188822832.db2.gz UKYFDPVQMHHIAM-NXEZZACHSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@@H]1CCCN1C(=O)[C@H](C)N 396767740 1188822857 /nfs/dbraw/zinc/82/28/57/1188822857.db2.gz FHOZSNGORPUPTJ-DTWKUNHWSA-N 0 3 184.283 1.125 20 0 ADADHN CCC[C@H]1CCCN1C(=O)[C@H](C)N 396767742 1188822930 /nfs/dbraw/zinc/82/29/30/1188822930.db2.gz FHOZSNGORPUPTJ-IUCAKERBSA-N 0 3 184.283 1.125 20 0 ADADHN CCC[C@H]1CCCN1C(=O)[C@H](N)CC 396779827 1188822946 /nfs/dbraw/zinc/82/29/46/1188822946.db2.gz UKYFDPVQMHHIAM-VHSXEESVSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@@H]1CCCN1C(=O)[C@@H](C)N 396767744 1188822996 /nfs/dbraw/zinc/82/29/96/1188822996.db2.gz FHOZSNGORPUPTJ-RKDXNWHRSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@H](C)CCNCc1cn(C)cn1 696206951 1188824608 /nfs/dbraw/zinc/82/46/08/1188824608.db2.gz FSRXMYCLWQLHST-JTQLQIEISA-N 0 3 195.310 1.946 20 0 ADADHN CC[C@@H](C)CCNCc1cn(C)cn1 696206954 1188824728 /nfs/dbraw/zinc/82/47/28/1188824728.db2.gz FSRXMYCLWQLHST-SNVBAGLBSA-N 0 3 195.310 1.946 20 0 ADADHN Cc1nccc(SCCN(C)C)n1 1307001402 1188835172 /nfs/dbraw/zinc/83/51/72/1188835172.db2.gz SSPKXUBTLHCSPX-UHFFFAOYSA-N 0 3 197.307 1.439 20 0 ADADHN Cc1cc(CN[C@@H]2C=CCC2)[nH]n1 1328080051 1188835787 /nfs/dbraw/zinc/83/57/87/1188835787.db2.gz SNMFJHRZQSHQME-SECBINFHSA-N 0 3 177.251 1.526 20 0 ADADHN Cc1cc(CN[C@H]2C=CCC2)[nH]n1 1328080053 1188835864 /nfs/dbraw/zinc/83/58/64/1188835864.db2.gz SNMFJHRZQSHQME-VIFPVBQESA-N 0 3 177.251 1.526 20 0 ADADHN CC[C@H](N[C@@H](C)c1ncc[nH]1)[C@H](C)O 1334402323 1188836662 /nfs/dbraw/zinc/83/66/62/1188836662.db2.gz GJZFNKJWTQIDCX-CIUDSAMLSA-N 0 3 197.282 1.220 20 0 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/nfs/dbraw/zinc/68/29/04/697682904.db2.gz QRTQEYLEKVUCOT-DLRBJTRDSA-N 0 3 175.659 1.196 20 0 ADADHN CCCc1n[nH]c2c1CCNC2 211530520 697682932 /nfs/dbraw/zinc/68/29/32/697682932.db2.gz RQTFJAQHNOETLT-UHFFFAOYSA-N 0 3 165.240 1.008 20 0 ADADHN CC1CC(CN2CCOCC2)C1 225524048 697690764 /nfs/dbraw/zinc/69/07/64/697690764.db2.gz BWEQITOLJKBSQW-UHFFFAOYSA-N 0 3 169.268 1.365 20 0 ADADHN OC[C@H]1CCCCN1C/C=C\Cl 226924956 697694834 /nfs/dbraw/zinc/69/48/34/697694834.db2.gz WOLIAPKEMDYQDI-AZVKUDOFSA-N 0 3 189.686 1.586 20 0 ADADHN CO[C@@H](CN)c1nc(C(C)(C)C)no1 227297521 697695841 /nfs/dbraw/zinc/69/58/41/697695841.db2.gz BLMGZEUWBVUZBX-LURJTMIESA-N 0 3 199.254 1.013 20 0 ADADHN C[C@@H]1CCN(C/C=C/Cl)[C@@H]1CO 227185974 697695883 /nfs/dbraw/zinc/69/58/83/697695883.db2.gz SGIYMRPCBXIGPM-HBMQMAGWSA-N 0 3 189.686 1.442 20 0 ADADHN CC[C@H](C)NCc1cn(C)cn1 233991029 697706239 /nfs/dbraw/zinc/70/62/39/697706239.db2.gz SMDKGERZRBLNDN-QMMMGPOBSA-N 0 3 167.256 1.308 20 0 ADADHN CO[C@@H](C)CN1CCC(F)(F)CC1 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CC=CC(=O)NNc1ccncc1 308286060 697764897 /nfs/dbraw/zinc/76/48/97/697764897.db2.gz DNCWYRFCHCWTMG-IHWYPQMZSA-N 0 3 177.207 1.101 20 0 ADADHN C[C@H](NCCCCCO)c1ncc[nH]1 308645133 697775242 /nfs/dbraw/zinc/77/52/42/697775242.db2.gz HBOYTECWVPDLMW-VIFPVBQESA-N 0 3 197.282 1.223 20 0 ADADHN Cl/C=C\CN1CCc2n[nH]cc2C1 308368828 697768842 /nfs/dbraw/zinc/76/88/42/697768842.db2.gz JNSXRTZCHVKTBV-IWQZZHSRSA-N 0 3 197.669 1.520 20 0 ADADHN COCCN(CCF)C1CCCC1 308438168 697772226 /nfs/dbraw/zinc/77/22/26/697772226.db2.gz XSPXFFZRINDHST-UHFFFAOYSA-N 0 3 189.274 1.847 20 0 ADADHN CCCNC(=O)CN(CC)C(C)C 308454561 697772615 /nfs/dbraw/zinc/77/26/15/697772615.db2.gz FSEZPIRAVDAEOU-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CC1CC(NC(=O)[C@H](N)CC2CC2)C1 308495022 697774287 /nfs/dbraw/zinc/77/42/87/697774287.db2.gz SNMARBQFCUNTTO-YXGXMSFMSA-N 0 3 196.294 1.029 20 0 ADADHN C[C@@H](NCCCCCO)c1ncc[nH]1 308645132 697775233 /nfs/dbraw/zinc/77/52/33/697775233.db2.gz HBOYTECWVPDLMW-SECBINFHSA-N 0 3 197.282 1.223 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@@H](O)C2)cn1 336210365 697782051 /nfs/dbraw/zinc/78/20/51/697782051.db2.gz GOQAVSOUZCCOOZ-PHIMTYICSA-N 0 3 192.262 1.003 20 0 ADADHN CN(C/C=C\Cl)[C@@H]1CCC[C@H]1O 378678480 697784051 /nfs/dbraw/zinc/78/40/51/697784051.db2.gz SFCIHKOZFBPXKH-UCOPNCLCSA-N 0 3 189.686 1.584 20 0 ADADHN CCC[C@H](CNCCF)OC 378833294 697788961 /nfs/dbraw/zinc/78/89/61/697788961.db2.gz TWVOFKJBGUKQCG-MRVPVSSYSA-N 0 3 163.236 1.361 20 0 ADADHN CCC[C@@H](CNCCF)OC 378833295 697788973 /nfs/dbraw/zinc/78/89/73/697788973.db2.gz TWVOFKJBGUKQCG-QMMMGPOBSA-N 0 3 163.236 1.361 20 0 ADADHN CCCNCc1cnn(C)c1Cl 378867503 697792879 /nfs/dbraw/zinc/79/28/79/697792879.db2.gz FJLPZNKEJHTGDJ-UHFFFAOYSA-N 0 3 187.674 1.573 20 0 ADADHN Cl/C=C\CN[C@@H]1CCOC1 378965261 697795800 /nfs/dbraw/zinc/79/58/00/697795800.db2.gz YWIYHXZXKCYCOL-BYXPXVBTSA-N 0 3 161.632 1.117 20 0 ADADHN Cl/C=C\CN[C@H]1CCOC1 378965262 697795807 /nfs/dbraw/zinc/79/58/07/697795807.db2.gz YWIYHXZXKCYCOL-YYHMEYGGSA-N 0 3 161.632 1.117 20 0 ADADHN COCC(C)(C)N(C)CCF 378986289 697797055 /nfs/dbraw/zinc/79/70/55/697797055.db2.gz XTHSRZMXJHBKMH-UHFFFAOYSA-N 0 3 163.236 1.313 20 0 ADADHN CC(F)(F)CCNCc1c[nH]cn1 379181969 697799325 /nfs/dbraw/zinc/79/93/25/697799325.db2.gz PMONBXPJCJQTQW-UHFFFAOYSA-N 0 3 189.209 1.545 20 0 ADADHN OCCCN1CC[C@H](C(F)(F)F)C1 379257161 697801551 /nfs/dbraw/zinc/80/15/51/697801551.db2.gz GIDSHUMJVBEYIK-ZETCQYMHSA-N 0 3 197.200 1.253 20 0 ADADHN OCCCN1CC[C@@H](C(F)(F)F)C1 379257160 697801570 /nfs/dbraw/zinc/80/15/70/697801570.db2.gz GIDSHUMJVBEYIK-SSDOTTSWSA-N 0 3 197.200 1.253 20 0 ADADHN OCCN(C/C=C\Cl)C1CCC1 379312305 697806147 /nfs/dbraw/zinc/80/61/47/697806147.db2.gz YNBSEOWMRZSNEH-DJWKRKHSSA-N 0 3 189.686 1.586 20 0 ADADHN C[C@@H]1CCN(C/C=C\Cl)[C@@H]1CO 379311907 697805567 /nfs/dbraw/zinc/80/55/67/697805567.db2.gz SGIYMRPCBXIGPM-HWTYGCMBSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@@H]1CCN(C/C=C\Cl)[C@H]1CO 379311908 697805657 /nfs/dbraw/zinc/80/56/57/697805657.db2.gz SGIYMRPCBXIGPM-SJLHTBIVSA-N 0 3 189.686 1.442 20 0 ADADHN CCCCN(CCF)CCCO 379315209 697809105 /nfs/dbraw/zinc/80/91/05/697809105.db2.gz RLKYTHZAZRXCIO-UHFFFAOYSA-N 0 3 177.263 1.440 20 0 ADADHN CC(C)N(CC[N+](=O)[O-])C1CC1 379318057 697812254 /nfs/dbraw/zinc/81/22/54/697812254.db2.gz JBGALDZVMXPWBR-UHFFFAOYSA-N 0 3 172.228 1.136 20 0 ADADHN CC[C@H](C)N(C/C=C\Cl)CCO 379320001 697813825 /nfs/dbraw/zinc/81/38/25/697813825.db2.gz UDNDPJHMOVTBCP-WBSSQXGSSA-N 0 3 191.702 1.832 20 0 ADADHN CC[C@@H](C)N(C/C=C\Cl)CCO 379320003 697814208 /nfs/dbraw/zinc/81/42/08/697814208.db2.gz UDNDPJHMOVTBCP-XRVBUDJMSA-N 0 3 191.702 1.832 20 0 ADADHN CC[C@H](C)N(C/C=C/Cl)CCO 379320000 697814227 /nfs/dbraw/zinc/81/42/27/697814227.db2.gz UDNDPJHMOVTBCP-MOVJSRMASA-N 0 3 191.702 1.832 20 0 ADADHN CC[C@@H](C)N(C/C=C/Cl)CCO 379320002 697814264 /nfs/dbraw/zinc/81/42/64/697814264.db2.gz UDNDPJHMOVTBCP-XNPJLODASA-N 0 3 191.702 1.832 20 0 ADADHN CCCCN(CC)CC[N+](=O)[O-] 379327336 697820694 /nfs/dbraw/zinc/82/06/94/697820694.db2.gz KGHWYKREKKQCNZ-UHFFFAOYSA-N 0 3 174.244 1.385 20 0 ADADHN CN(CCF)C[C@H]1CCCOC1 379328819 697822730 /nfs/dbraw/zinc/82/27/30/697822730.db2.gz RIMKCAVSGKPGRF-SECBINFHSA-N 0 3 175.247 1.314 20 0 ADADHN CN(CCF)C[C@@H]1CCCOC1 379328820 697822814 /nfs/dbraw/zinc/82/28/14/697822814.db2.gz RIMKCAVSGKPGRF-VIFPVBQESA-N 0 3 175.247 1.314 20 0 ADADHN C[C@H](O)[C@H]1CCN(C/C=C\Cl)C1 379338838 697832258 /nfs/dbraw/zinc/83/22/58/697832258.db2.gz QLIQNGVVGZLMHN-PJKNHULFSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@H](O)[C@@H]1CCN(C/C=C\Cl)C1 379338837 697832362 /nfs/dbraw/zinc/83/23/62/697832362.db2.gz QLIQNGVVGZLMHN-IVSKAITFSA-N 0 3 189.686 1.442 20 0 ADADHN CCC(C)(C)NCc1cnn(C)n1 379342145 697832589 /nfs/dbraw/zinc/83/25/89/697832589.db2.gz CBXVPXDJQUZOBP-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN COC(CN1CC=C(C)CC1)OC 379364176 697844414 /nfs/dbraw/zinc/84/44/14/697844414.db2.gz LTUVHVXUCUONNQ-UHFFFAOYSA-N 0 3 185.267 1.257 20 0 ADADHN CC(C)(C)NC(=O)[C@H](N)CC1CC1 379371335 697848666 /nfs/dbraw/zinc/84/86/66/697848666.db2.gz SRHNUXWTSDAQIU-MRVPVSSYSA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)(C)NC(=O)[C@@H](N)CC1CC1 379371340 697848852 /nfs/dbraw/zinc/84/88/52/697848852.db2.gz SRHNUXWTSDAQIU-QMMMGPOBSA-N 0 3 184.283 1.029 20 0 ADADHN CCCN(Cn1cnnc1)C1CC1 379374352 697850387 /nfs/dbraw/zinc/85/03/87/697850387.db2.gz MSPBDWWVGMBPJY-UHFFFAOYSA-N 0 3 180.255 1.110 20 0 ADADHN CCN(Cn1cnnc1)C1CCC1 379375925 697851498 /nfs/dbraw/zinc/85/14/98/697851498.db2.gz RCOWJIRNPAGKCY-UHFFFAOYSA-N 0 3 180.255 1.110 20 0 ADADHN OCCCC1CCN(CCF)CC1 379375891 697851549 /nfs/dbraw/zinc/85/15/49/697851549.db2.gz QYJLYCCXGWYNQO-UHFFFAOYSA-N 0 3 189.274 1.440 20 0 ADADHN c1coc(SCCN2CCCC2)n1 379380023 697856164 /nfs/dbraw/zinc/85/61/64/697856164.db2.gz BOHWORUJYSXAFB-UHFFFAOYSA-N 0 3 198.291 1.863 20 0 ADADHN CCN(CCC(C)C)CC(=O)NC 379385605 697861439 /nfs/dbraw/zinc/86/14/39/697861439.db2.gz UMNRSTIBZBWVMI-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN OC[C@@H](NCc1cncs1)C1CC1 379386026 697861781 /nfs/dbraw/zinc/86/17/81/697861781.db2.gz WDBAMZYJDLXMQO-SECBINFHSA-N 0 3 198.291 1.004 20 0 ADADHN C[C@@H](NCC1(C)CC1)c1ncc[nH]1 379386266 697861902 /nfs/dbraw/zinc/86/19/02/697861902.db2.gz XBAQXTBHGCNVCQ-MRVPVSSYSA-N 0 3 179.267 1.860 20 0 ADADHN OC[C@H](NCc1cncs1)C1CC1 379386027 697861973 /nfs/dbraw/zinc/86/19/73/697861973.db2.gz WDBAMZYJDLXMQO-VIFPVBQESA-N 0 3 198.291 1.004 20 0 ADADHN C[C@H](NCC1(C)CC1)c1ncc[nH]1 379386267 697862125 /nfs/dbraw/zinc/86/21/25/697862125.db2.gz XBAQXTBHGCNVCQ-QMMMGPOBSA-N 0 3 179.267 1.860 20 0 ADADHN CC(C)CCN(C)Cn1cnnc1 379393580 697868946 /nfs/dbraw/zinc/86/89/46/697868946.db2.gz VDIANYLTWLCMIQ-UHFFFAOYSA-N 0 3 182.271 1.214 20 0 ADADHN Cn1cnc(CNCCC2CC2)c1 379401940 697876432 /nfs/dbraw/zinc/87/64/32/697876432.db2.gz LWHLCNRWQRZGDJ-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN Cn1cnc(CNCC(C)(C)C)c1 379402433 697876904 /nfs/dbraw/zinc/87/69/04/697876904.db2.gz NBICMNJFHDNMEJ-UHFFFAOYSA-N 0 3 181.283 1.556 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1cn(C)cn1 379403968 697878592 /nfs/dbraw/zinc/87/85/92/697878592.db2.gz QLVBBRUCCJQFRL-RKDXNWHRSA-N 0 3 179.267 1.166 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1cn(C)cn1 379403966 697878695 /nfs/dbraw/zinc/87/86/95/697878695.db2.gz QLVBBRUCCJQFRL-DTWKUNHWSA-N 0 3 179.267 1.166 20 0 ADADHN C[C@H]1C[C@H]1CNCc1cn(C)cn1 379403967 697878787 /nfs/dbraw/zinc/87/87/87/697878787.db2.gz QLVBBRUCCJQFRL-IUCAKERBSA-N 0 3 179.267 1.166 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1cn(C)cn1 379403965 697878809 /nfs/dbraw/zinc/87/88/09/697878809.db2.gz QLVBBRUCCJQFRL-BDAKNGLRSA-N 0 3 179.267 1.166 20 0 ADADHN CS[C@H](C)CNCc1cn(C)cn1 379407621 697882504 /nfs/dbraw/zinc/88/25/04/697882504.db2.gz ZCXMLYIBRZIBNM-MRVPVSSYSA-N 0 3 199.323 1.261 20 0 ADADHN CS[C@@H](C)CNCc1cn(C)cn1 379407622 697882612 /nfs/dbraw/zinc/88/26/12/697882612.db2.gz ZCXMLYIBRZIBNM-QMMMGPOBSA-N 0 3 199.323 1.261 20 0 ADADHN COC(=O)N(CCN(C)C)C(C)C 379419450 697894263 /nfs/dbraw/zinc/89/42/63/697894263.db2.gz YFEXTAOGCQCMMK-UHFFFAOYSA-N 0 3 188.271 1.025 20 0 ADADHN CN(CC[N+](=O)[O-])CC1CCCC1 379419763 697895124 /nfs/dbraw/zinc/89/51/24/697895124.db2.gz YXEYJYKDQBEHTH-UHFFFAOYSA-N 0 3 186.255 1.385 20 0 ADADHN CCNCc1ncc(CN(C)C)s1 379420189 697895712 /nfs/dbraw/zinc/89/57/12/697895712.db2.gz ZWGZQBJPWNCOMA-UHFFFAOYSA-N 0 3 199.323 1.314 20 0 ADADHN CN(C(=O)[C@H](N)CC1CC1)C1CCC1 379491442 697896162 /nfs/dbraw/zinc/89/61/62/697896162.db2.gz QVQADHNZOAKVBY-SNVBAGLBSA-N 0 3 196.294 1.125 20 0 ADADHN CC[C@H](C)[C@@H](C)NCc1cnn(C)n1 379486261 697896195 /nfs/dbraw/zinc/89/61/95/697896195.db2.gz BWCGQFFBFMAVGW-DTWKUNHWSA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@@H](C)[C@H](C)NCc1cnn(C)n1 379486259 697896239 /nfs/dbraw/zinc/89/62/39/697896239.db2.gz BWCGQFFBFMAVGW-BDAKNGLRSA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@@H](C)[C@@H](C)NCc1cnn(C)n1 379486265 697896369 /nfs/dbraw/zinc/89/63/69/697896369.db2.gz BWCGQFFBFMAVGW-RKDXNWHRSA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@H](C)[C@H](C)NCc1cnn(C)n1 379486264 697896394 /nfs/dbraw/zinc/89/63/94/697896394.db2.gz BWCGQFFBFMAVGW-IUCAKERBSA-N 0 3 196.298 1.339 20 0 ADADHN N[C@H](CC1CC1)C(=O)NCC1CCC1 379503268 697897174 /nfs/dbraw/zinc/89/71/74/697897174.db2.gz LXYWBDYFRVNREI-SNVBAGLBSA-N 0 3 196.294 1.030 20 0 ADADHN N[C@H](CC1CC1)C(=O)NCCC1CC1 379510203 697897882 /nfs/dbraw/zinc/89/78/82/697897882.db2.gz QORSSKYHTYGVQT-SNVBAGLBSA-N 0 3 196.294 1.030 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@@H](N)CC1CC1 379529663 697898033 /nfs/dbraw/zinc/89/80/33/697898033.db2.gz VQMHRTPEWASDJK-SCZZXKLOSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@@H](N)CC1CC1 379529665 697898232 /nfs/dbraw/zinc/89/82/32/697898232.db2.gz VQMHRTPEWASDJK-WPRPVWTQSA-N 0 3 196.294 1.125 20 0 ADADHN CCC[C@H](C)NC(=O)[C@@H](N)CC1CC1 379523760 697898274 /nfs/dbraw/zinc/89/82/74/697898274.db2.gz LFMIYFBHMWTUAM-WPRPVWTQSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@H](N)CC1CC1 379529664 697898286 /nfs/dbraw/zinc/89/82/86/697898286.db2.gz VQMHRTPEWASDJK-WCBMZHEXSA-N 0 3 196.294 1.125 20 0 ADADHN N[C@H](CC1CC1)C(=O)NC1CCCC1 379526495 697898303 /nfs/dbraw/zinc/89/83/03/697898303.db2.gz QUGUKSOMUVCUAR-SNVBAGLBSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@H](N)CC1CC1 379529661 697898342 /nfs/dbraw/zinc/89/83/42/697898342.db2.gz VQMHRTPEWASDJK-PSASIEDQSA-N 0 3 196.294 1.125 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@@H](N)CC1CC1 379523758 697898355 /nfs/dbraw/zinc/89/83/55/697898355.db2.gz LFMIYFBHMWTUAM-SCZZXKLOSA-N 0 3 198.310 1.419 20 0 ADADHN CCCCN[C@H](C)c1nnc(CC)[nH]1 379571467 697900303 /nfs/dbraw/zinc/90/03/03/697900303.db2.gz HKBDSOUODLMJLN-MRVPVSSYSA-N 0 3 196.298 1.818 20 0 ADADHN CCCCN[C@@H](C)c1nnc(CC)[nH]1 379571469 697900323 /nfs/dbraw/zinc/90/03/23/697900323.db2.gz HKBDSOUODLMJLN-QMMMGPOBSA-N 0 3 196.298 1.818 20 0 ADADHN CO[C@@H](C)CCN[C@H](C)c1ncc[nH]1 379573616 697900326 /nfs/dbraw/zinc/90/03/26/697900326.db2.gz ITNUKUUOUYHXSB-DTWKUNHWSA-N 0 3 197.282 1.485 20 0 ADADHN CO[C@@H](C)CCN[C@@H](C)c1ncc[nH]1 379573622 697900403 /nfs/dbraw/zinc/90/04/03/697900403.db2.gz ITNUKUUOUYHXSB-IUCAKERBSA-N 0 3 197.282 1.485 20 0 ADADHN CO[C@H](C)CCN[C@H](C)c1ncc[nH]1 379573623 697900420 /nfs/dbraw/zinc/90/04/20/697900420.db2.gz ITNUKUUOUYHXSB-RKDXNWHRSA-N 0 3 197.282 1.485 20 0 ADADHN CO[C@H](C)CCN[C@@H](C)c1ncc[nH]1 379573613 697900432 /nfs/dbraw/zinc/90/04/32/697900432.db2.gz ITNUKUUOUYHXSB-BDAKNGLRSA-N 0 3 197.282 1.485 20 0 ADADHN CO[C@@H](C)CNCc1ccc(F)nc1 379574625 697900941 /nfs/dbraw/zinc/90/09/41/697900941.db2.gz JJSFEDYJZLINFQ-QMMMGPOBSA-N 0 3 198.241 1.345 20 0 ADADHN CO[C@H](C)CNCc1ccc(F)nc1 379574623 697900954 /nfs/dbraw/zinc/90/09/54/697900954.db2.gz JJSFEDYJZLINFQ-MRVPVSSYSA-N 0 3 198.241 1.345 20 0 ADADHN C1=C(CNCc2c[nH]cn2)CCCC1 379591949 697902449 /nfs/dbraw/zinc/90/24/49/697902449.db2.gz YVRIZFQYJDUXOI-UHFFFAOYSA-N 0 3 191.278 2.000 20 0 ADADHN CCc1noc(C)c1[C@H](C)NCCO 379587979 697902537 /nfs/dbraw/zinc/90/25/37/697902537.db2.gz SUYTVWASDOHINW-ZETCQYMHSA-N 0 3 198.266 1.188 20 0 ADADHN CCc1noc(C)c1[C@@H](C)NCCO 379587978 697902806 /nfs/dbraw/zinc/90/28/06/697902806.db2.gz SUYTVWASDOHINW-SSDOTTSWSA-N 0 3 198.266 1.188 20 0 ADADHN C[C@@H](CCO)CN[C@H](C)c1ncc[nH]1 379655883 697908344 /nfs/dbraw/zinc/90/83/44/697908344.db2.gz KMTSARVKGNVJDU-DTWKUNHWSA-N 0 3 197.282 1.079 20 0 ADADHN C[C@@H](CCCO)N[C@H](C)c1ncc[nH]1 379623174 697905833 /nfs/dbraw/zinc/90/58/33/697905833.db2.gz HOSVUTMGUXRYAZ-DTWKUNHWSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@H](CCCO)N[C@H](C)c1ncc[nH]1 379623176 697905912 /nfs/dbraw/zinc/90/59/12/697905912.db2.gz HOSVUTMGUXRYAZ-RKDXNWHRSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@@H](CCCO)N[C@@H](C)c1ncc[nH]1 379623175 697905929 /nfs/dbraw/zinc/90/59/29/697905929.db2.gz HOSVUTMGUXRYAZ-IUCAKERBSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@H](N[C@H](C)CCCO)c1ncc[nH]1 379623173 697905996 /nfs/dbraw/zinc/90/59/96/697905996.db2.gz HOSVUTMGUXRYAZ-BDAKNGLRSA-N 0 3 197.282 1.221 20 0 ADADHN Cn1cnc(CNC[C@@H]2CC2(C)C)c1 379623364 697906177 /nfs/dbraw/zinc/90/61/77/697906177.db2.gz HUTBJASFQWQTDC-VIFPVBQESA-N 0 3 193.294 1.556 20 0 ADADHN Cn1cnc(CNC[C@H]2CC2(C)C)c1 379623360 697906187 /nfs/dbraw/zinc/90/61/87/697906187.db2.gz HUTBJASFQWQTDC-SECBINFHSA-N 0 3 193.294 1.556 20 0 ADADHN C[C@H](CCO)NCc1ccc(F)cn1 379628779 697906517 /nfs/dbraw/zinc/90/65/17/697906517.db2.gz LPGZLMXROVFMCG-MRVPVSSYSA-N 0 3 198.241 1.081 20 0 ADADHN C[C@@H](CCO)NCc1ccc(F)cn1 379628780 697906652 /nfs/dbraw/zinc/90/66/52/697906652.db2.gz LPGZLMXROVFMCG-QMMMGPOBSA-N 0 3 198.241 1.081 20 0 ADADHN C[C@H](NC[C@H](C)CCO)c1ncc[nH]1 379655882 697908358 /nfs/dbraw/zinc/90/83/58/697908358.db2.gz KMTSARVKGNVJDU-BDAKNGLRSA-N 0 3 197.282 1.079 20 0 ADADHN C[C@H](CCO)CN[C@H](C)c1ncc[nH]1 379655885 697908494 /nfs/dbraw/zinc/90/84/94/697908494.db2.gz KMTSARVKGNVJDU-RKDXNWHRSA-N 0 3 197.282 1.079 20 0 ADADHN C[C@@H](CCO)CN[C@@H](C)c1ncc[nH]1 379655884 697908486 /nfs/dbraw/zinc/90/84/86/697908486.db2.gz KMTSARVKGNVJDU-IUCAKERBSA-N 0 3 197.282 1.079 20 0 ADADHN Cc1cc([C@@H](C)NCCCO)oc1C 379667051 697909433 /nfs/dbraw/zinc/90/94/33/697909433.db2.gz XZRGLPXNKYPWDU-SECBINFHSA-N 0 3 197.278 1.929 20 0 ADADHN Cc1cc([C@H](C)NCCCO)oc1C 379667052 697909474 /nfs/dbraw/zinc/90/94/74/697909474.db2.gz XZRGLPXNKYPWDU-VIFPVBQESA-N 0 3 197.278 1.929 20 0 ADADHN CCC1(NCc2cnccn2)CC1 379734417 697909933 /nfs/dbraw/zinc/90/99/33/697909933.db2.gz CRHKYLDVKAODHT-UHFFFAOYSA-N 0 3 177.251 1.509 20 0 ADADHN Cl/C=C\CNCC1=CCCOC1 379739027 697909973 /nfs/dbraw/zinc/90/99/73/697909973.db2.gz FOBFUVPAIGFCHC-RQOWECAXSA-N 0 3 187.670 1.675 20 0 ADADHN CCC1(NCc2cn(C)cn2)CC1 379725295 697909977 /nfs/dbraw/zinc/90/99/77/697909977.db2.gz RRXKTLZQVTUYGM-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN Cl/C=C/CNCC1=CCCOC1 379739025 697909983 /nfs/dbraw/zinc/90/99/83/697909983.db2.gz FOBFUVPAIGFCHC-DUXPYHPUSA-N 0 3 187.670 1.675 20 0 ADADHN CCOC(=O)CN1C[C@@H](C)CC1(C)C 380414958 697912264 /nfs/dbraw/zinc/91/22/64/697912264.db2.gz HIGUHGATZJWOKM-VIFPVBQESA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)/C=C\CN1C[C@H]2C[C@H]2C1 380454612 697912308 /nfs/dbraw/zinc/91/23/08/697912308.db2.gz NAWXDDKFEJHTJO-BZDJSAGESA-N 0 3 195.262 1.057 20 0 ADADHN COC(=O)/C(C)=C\CN1C[C@H]2C[C@H]2C1 380452417 697912322 /nfs/dbraw/zinc/91/23/22/697912322.db2.gz MDGMMPOMYXQWFT-LIIPPBBTSA-N 0 3 195.262 1.057 20 0 ADADHN CCOC(=O)/C=C/CN1C[C@H]2C[C@H]2C1 380454617 697912368 /nfs/dbraw/zinc/91/23/68/697912368.db2.gz NAWXDDKFEJHTJO-LDYOUVJNSA-N 0 3 195.262 1.057 20 0 ADADHN COC(=O)/C(C)=C/CN1C[C@H]2C[C@H]2C1 380452421 697912434 /nfs/dbraw/zinc/91/24/34/697912434.db2.gz MDGMMPOMYXQWFT-PMXLAWOHSA-N 0 3 195.262 1.057 20 0 ADADHN O[C@H]1CCCN(C/C=C\Cl)CC1 382101591 697918090 /nfs/dbraw/zinc/91/80/90/697918090.db2.gz GWRUQQHHDHFSFN-ANTNXHBISA-N 0 3 189.686 1.586 20 0 ADADHN CC(C)C(C)(C)NCc1cnn(C)n1 382105224 697918125 /nfs/dbraw/zinc/91/81/25/697918125.db2.gz IAQRRWCKQMLYIO-UHFFFAOYSA-N 0 3 196.298 1.339 20 0 ADADHN O[C@@H]1CCCN(C/C=C\Cl)CC1 382101592 697918181 /nfs/dbraw/zinc/91/81/81/697918181.db2.gz GWRUQQHHDHFSFN-JHYPKJRRSA-N 0 3 189.686 1.586 20 0 ADADHN CC[C@H](CO)N(C)C/C=C/Cl 382227362 697921205 /nfs/dbraw/zinc/92/12/05/697921205.db2.gz NEBONIXRWWTHON-WTSVBCDHSA-N 0 3 177.675 1.442 20 0 ADADHN CC[C@@H](CO)N(C)C/C=C\Cl 382227350 697921252 /nfs/dbraw/zinc/92/12/52/697921252.db2.gz NEBONIXRWWTHON-LGYSABEFSA-N 0 3 177.675 1.442 20 0 ADADHN CC[C@H](CO)N(C)C/C=C\Cl 382227361 697921347 /nfs/dbraw/zinc/92/13/47/697921347.db2.gz NEBONIXRWWTHON-PULIVWKDSA-N 0 3 177.675 1.442 20 0 ADADHN CC[C@@H](CO)N(C)C/C=C/Cl 382227363 697921417 /nfs/dbraw/zinc/92/14/17/697921417.db2.gz NEBONIXRWWTHON-ZJELKQJVSA-N 0 3 177.675 1.442 20 0 ADADHN CCC[C@@H](CNCc1c[nH]cn1)OC 382338615 697922839 /nfs/dbraw/zinc/92/28/39/697922839.db2.gz YWSYZIINCKVTJU-JTQLQIEISA-N 0 3 197.282 1.314 20 0 ADADHN CCC[C@H](CNCc1c[nH]cn1)OC 382338620 697923067 /nfs/dbraw/zinc/92/30/67/697923067.db2.gz YWSYZIINCKVTJU-SNVBAGLBSA-N 0 3 197.282 1.314 20 0 ADADHN COCC1(NCc2c[nH]cn2)CCC1 382407911 697924126 /nfs/dbraw/zinc/92/41/26/697924126.db2.gz SOTNKYIIEFPTOK-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN COCC1(NCc2cnc[nH]2)CCC1 382407911 697924129 /nfs/dbraw/zinc/92/41/29/697924129.db2.gz SOTNKYIIEFPTOK-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN CCC=CCNCc1c[nH]cn1 385097187 697933236 /nfs/dbraw/zinc/93/32/36/697933236.db2.gz ZAXQWVJLUQBDTI-ARJAWSKDSA-N 0 3 165.240 1.466 20 0 ADADHN CCC=CCNCc1cnc[nH]1 385097187 697933239 /nfs/dbraw/zinc/93/32/39/697933239.db2.gz ZAXQWVJLUQBDTI-ARJAWSKDSA-N 0 3 165.240 1.466 20 0 ADADHN CCC=CCNCc1c[nH]cn1 385097197 697933634 /nfs/dbraw/zinc/93/36/34/697933634.db2.gz ZAXQWVJLUQBDTI-ONEGZZNKSA-N 0 3 165.240 1.466 20 0 ADADHN CCC=CCNCc1cnc[nH]1 385097197 697933640 /nfs/dbraw/zinc/93/36/40/697933640.db2.gz ZAXQWVJLUQBDTI-ONEGZZNKSA-N 0 3 165.240 1.466 20 0 ADADHN CCN(C/C=C\Cl)CCCO 387795203 697938839 /nfs/dbraw/zinc/93/88/39/697938839.db2.gz FUIJXZVQQUKKPV-HYXAFXHYSA-N 0 3 177.675 1.443 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1C/C=C\Cl 388033630 697940170 /nfs/dbraw/zinc/94/01/70/697940170.db2.gz JWZPCHYGUZJTRN-OUZXLXBKSA-N 0 3 175.659 1.194 20 0 ADADHN C[C@@H]1C[C@H](O)CN1C/C=C\Cl 388033633 697940179 /nfs/dbraw/zinc/94/01/79/697940179.db2.gz JWZPCHYGUZJTRN-ZCMHJKFASA-N 0 3 175.659 1.194 20 0 ADADHN COCCCN(C)C/C=C\Cl 388122386 697942496 /nfs/dbraw/zinc/94/24/96/697942496.db2.gz MAMJSEBZFZUZTD-HYXAFXHYSA-N 0 3 177.675 1.707 20 0 ADADHN C[C@@H]1CN(C/C=C\Cl)C[C@@H]1O 388119196 697942551 /nfs/dbraw/zinc/94/25/51/697942551.db2.gz JEMLCRXTUDFJKT-ZCMHJKFASA-N 0 3 175.659 1.052 20 0 ADADHN C[C@@H]1CN(C/C=C\Cl)C[C@H]1O 388119192 697942581 /nfs/dbraw/zinc/94/25/81/697942581.db2.gz JEMLCRXTUDFJKT-OUZXLXBKSA-N 0 3 175.659 1.052 20 0 ADADHN COCCCN(C)C/C=C/Cl 388122385 697942624 /nfs/dbraw/zinc/94/26/24/697942624.db2.gz MAMJSEBZFZUZTD-HWKANZROSA-N 0 3 177.675 1.707 20 0 ADADHN CCN(C/C=C\Cl)[C@H](C)CO 388119828 697942748 /nfs/dbraw/zinc/94/27/48/697942748.db2.gz KANKNPUEUGSNGK-PULIVWKDSA-N 0 3 177.675 1.442 20 0 ADADHN CCN(C/C=C/Cl)[C@H](C)CO 388119853 697942800 /nfs/dbraw/zinc/94/28/00/697942800.db2.gz KANKNPUEUGSNGK-WTSVBCDHSA-N 0 3 177.675 1.442 20 0 ADADHN CCN(Cc1n[nH]c(C)n1)C(C)C 388353109 697954325 /nfs/dbraw/zinc/95/43/25/697954325.db2.gz PHLCJTKRUCSPMX-UHFFFAOYSA-N 0 3 182.271 1.343 20 0 ADADHN CN(C/C=C\Cl)C1(CO)CCC1 388382022 697956610 /nfs/dbraw/zinc/95/66/10/697956610.db2.gz RKVFMNABAGQXAJ-UTCJRWHESA-N 0 3 189.686 1.586 20 0 ADADHN CN(C/C=C/Cl)C1(CO)CCC1 388382023 697956655 /nfs/dbraw/zinc/95/66/55/697956655.db2.gz RKVFMNABAGQXAJ-ZZXKWVIFSA-N 0 3 189.686 1.586 20 0 ADADHN CC(C)(O)CN(CCF)C1CC1 388495576 697970277 /nfs/dbraw/zinc/97/02/77/697970277.db2.gz JQSIDZZERJGRCH-UHFFFAOYSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@H](NCCCF)c1ncc[nH]1 388513200 697971725 /nfs/dbraw/zinc/97/17/25/697971725.db2.gz SICXBERIXCEIBZ-ZETCQYMHSA-N 0 3 171.219 1.420 20 0 ADADHN C[C@@H](NCCCF)c1ncc[nH]1 388513199 697971941 /nfs/dbraw/zinc/97/19/41/697971941.db2.gz SICXBERIXCEIBZ-SSDOTTSWSA-N 0 3 171.219 1.420 20 0 ADADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)CO 388678242 697986588 /nfs/dbraw/zinc/98/65/88/697986588.db2.gz IMJVICGDKMCZMQ-BQBZGAKWSA-N 0 3 198.266 1.323 20 0 ADADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)CO 388678250 697986671 /nfs/dbraw/zinc/98/66/71/697986671.db2.gz IMJVICGDKMCZMQ-RNFRBKRXSA-N 0 3 198.266 1.323 20 0 ADADHN Cc1noc(C)c1[C@H](C)N[C@H](C)CO 388678251 697986750 /nfs/dbraw/zinc/98/67/50/697986750.db2.gz IMJVICGDKMCZMQ-RQJHMYQMSA-N 0 3 198.266 1.323 20 0 ADADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)CO 388678248 697986780 /nfs/dbraw/zinc/98/67/80/697986780.db2.gz IMJVICGDKMCZMQ-NKWVEPMBSA-N 0 3 198.266 1.323 20 0 ADADHN CN(Cc1nc[nH]n1)C[Si](C)(C)C 388701094 697988555 /nfs/dbraw/zinc/98/85/55/697988555.db2.gz NHHHWFVAGWONKH-UHFFFAOYSA-N 0 3 198.346 1.114 20 0 ADADHN CCN(C(=O)[C@H](N)CC1CC1)C(C)C 388713810 697989519 /nfs/dbraw/zinc/98/95/19/697989519.db2.gz SGIQTOLYNNMXMM-SNVBAGLBSA-N 0 3 198.310 1.371 20 0 ADADHN COC(=O)CCN(CCF)C(C)C 388713305 697989635 /nfs/dbraw/zinc/98/96/35/697989635.db2.gz QDYHWIIIFMDXKJ-UHFFFAOYSA-N 0 3 191.246 1.229 20 0 ADADHN CSCCCNCc1cn(C)cn1 388734615 697991234 /nfs/dbraw/zinc/99/12/34/697991234.db2.gz WHNSLYFRUOACMG-UHFFFAOYSA-N 0 3 199.323 1.263 20 0 ADADHN CC(C)SCCNCc1c[nH]cn1 388882353 698001055 /nfs/dbraw/zinc/00/10/55/698001055.db2.gz JDPZLAUZSIZXCZ-UHFFFAOYSA-N 0 3 199.323 1.641 20 0 ADADHN CCC[C@H](C)NC(=O)[C@H](N)CC1CC1 388890825 698001626 /nfs/dbraw/zinc/00/16/26/698001626.db2.gz LFMIYFBHMWTUAM-WCBMZHEXSA-N 0 3 198.310 1.419 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@H](N)CC1CC1 388890823 698001819 /nfs/dbraw/zinc/00/18/19/698001819.db2.gz LFMIYFBHMWTUAM-PSASIEDQSA-N 0 3 198.310 1.419 20 0 ADADHN CCCCNCc1nnc2n1CCC2 389219851 698004886 /nfs/dbraw/zinc/00/48/86/698004886.db2.gz MTPNTXOICBJBJM-UHFFFAOYSA-N 0 3 194.282 1.114 20 0 ADADHN c1cc(CN[C@H]2CC[C@@H]2C2CC2)n[nH]1 389246915 698006049 /nfs/dbraw/zinc/00/60/49/698006049.db2.gz BTKOPSMAXMXALE-MNOVXSKESA-N 0 3 191.278 1.688 20 0 ADADHN CC[C@H](NCc1cnn(C)n1)C1CC1 389246124 698006068 /nfs/dbraw/zinc/00/60/68/698006068.db2.gz AZPLNQBMHZSAOF-JTQLQIEISA-N 0 3 194.282 1.093 20 0 ADADHN c1cc(CN[C@H]2CC[C@H]2C2CC2)n[nH]1 389246916 698006080 /nfs/dbraw/zinc/00/60/80/698006080.db2.gz BTKOPSMAXMXALE-QWRGUYRKSA-N 0 3 191.278 1.688 20 0 ADADHN CC[C@@H](NCc1cnn(C)n1)C1CC1 389246129 698006104 /nfs/dbraw/zinc/00/61/04/698006104.db2.gz AZPLNQBMHZSAOF-SNVBAGLBSA-N 0 3 194.282 1.093 20 0 ADADHN c1cc(CN[C@@H]2CC[C@@H]2C2CC2)n[nH]1 389246914 698006166 /nfs/dbraw/zinc/00/61/66/698006166.db2.gz BTKOPSMAXMXALE-GHMZBOCLSA-N 0 3 191.278 1.688 20 0 ADADHN c1cc(CN[C@@H]2CC[C@H]2C2CC2)n[nH]1 389246918 698006188 /nfs/dbraw/zinc/00/61/88/698006188.db2.gz BTKOPSMAXMXALE-WDEREUQCSA-N 0 3 191.278 1.688 20 0 ADADHN C[C@H](O)CCCN[C@@H](C)c1ncc[nH]1 389262820 698006309 /nfs/dbraw/zinc/00/63/09/698006309.db2.gz HHTXRYWXBOVORQ-IUCAKERBSA-N 0 3 197.282 1.221 20 0 ADADHN CC[C@H](CCO)N[C@H](C)c1ncc[nH]1 389255811 698006321 /nfs/dbraw/zinc/00/63/21/698006321.db2.gz GDGOICYZRKEEIQ-RKDXNWHRSA-N 0 3 197.282 1.221 20 0 ADADHN CC[C@@H](CCO)N[C@H](C)c1ncc[nH]1 389255570 698006453 /nfs/dbraw/zinc/00/64/53/698006453.db2.gz GDGOICYZRKEEIQ-BDAKNGLRSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@@H](O)CCCN[C@H](C)c1ncc[nH]1 389262821 698006503 /nfs/dbraw/zinc/00/65/03/698006503.db2.gz HHTXRYWXBOVORQ-RKDXNWHRSA-N 0 3 197.282 1.221 20 0 ADADHN CC[C@@H](CCO)N[C@@H](C)c1ncc[nH]1 389255810 698006565 /nfs/dbraw/zinc/00/65/65/698006565.db2.gz GDGOICYZRKEEIQ-IUCAKERBSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@H](O)CCCN[C@H](C)c1ncc[nH]1 389262819 698006618 /nfs/dbraw/zinc/00/66/18/698006618.db2.gz HHTXRYWXBOVORQ-DTWKUNHWSA-N 0 3 197.282 1.221 20 0 ADADHN C[C@H](NCCC[C@@H](C)O)c1ncc[nH]1 389262818 698006650 /nfs/dbraw/zinc/00/66/50/698006650.db2.gz HHTXRYWXBOVORQ-BDAKNGLRSA-N 0 3 197.282 1.221 20 0 ADADHN CC[C@H](CCO)N[C@@H](C)c1ncc[nH]1 389255809 698006731 /nfs/dbraw/zinc/00/67/31/698006731.db2.gz GDGOICYZRKEEIQ-DTWKUNHWSA-N 0 3 197.282 1.221 20 0 ADADHN CCC1(CNCc2cn(C)cn2)CC1 389293690 698007645 /nfs/dbraw/zinc/00/76/45/698007645.db2.gz DWAARGPUFQJBKL-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN CC(C)CC1CCN(C(=O)CN)CC1 389621749 698010415 /nfs/dbraw/zinc/01/04/15/698010415.db2.gz IUBUFVRHJDGTMZ-UHFFFAOYSA-N 0 3 198.310 1.230 20 0 ADADHN CCCCN[C@@H](C)c1nnc(C)[nH]1 392413849 698012835 /nfs/dbraw/zinc/01/28/35/698012835.db2.gz FYEIIEHVVSFVGK-ZETCQYMHSA-N 0 3 182.271 1.564 20 0 ADADHN Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(C)C)[n-]1 392389492 698012883 /nfs/dbraw/zinc/01/28/83/698012883.db2.gz SLLFPWMXQLXJPA-JGVFFNPUSA-N 0 3 196.298 1.808 20 0 ADADHN Cc1nnc([C@@H](C)N[C@H](C)C2CC2)[nH]1 392386320 698012909 /nfs/dbraw/zinc/01/29/09/698012909.db2.gz QDTJRRVXSURMGH-RNFRBKRXSA-N 0 3 194.282 1.562 20 0 ADADHN CCCCN[C@H](C)c1nnc(C)[nH]1 392413845 698012919 /nfs/dbraw/zinc/01/29/19/698012919.db2.gz FYEIIEHVVSFVGK-SSDOTTSWSA-N 0 3 182.271 1.564 20 0 ADADHN CC[C@@H](C)CN[C@H](C)c1nnc(C)[nH]1 392395124 698012949 /nfs/dbraw/zinc/01/29/49/698012949.db2.gz YPISZRWWMDNBRB-HTQZYQBOSA-N 0 3 196.298 1.810 20 0 ADADHN Cc1nnc([C@H](C)[NH2+][C@H](C)C(C)C)[n-]1 392389495 698012959 /nfs/dbraw/zinc/01/29/59/698012959.db2.gz SLLFPWMXQLXJPA-SFYZADRCSA-N 0 3 196.298 1.808 20 0 ADADHN Cc1nnc([C@@H](C)N[C@@H](C)C2CC2)[nH]1 392386319 698012983 /nfs/dbraw/zinc/01/29/83/698012983.db2.gz QDTJRRVXSURMGH-NKWVEPMBSA-N 0 3 194.282 1.562 20 0 ADADHN Cc1nnc([C@@H](C)NCC(C)C)[nH]1 392415921 698013071 /nfs/dbraw/zinc/01/30/71/698013071.db2.gz JCJSPYXEYWOYIS-SSDOTTSWSA-N 0 3 182.271 1.420 20 0 ADADHN Cc1nnc([C@H](C)N[C@@H](C)C2CC2)[nH]1 392386317 698013107 /nfs/dbraw/zinc/01/31/07/698013107.db2.gz QDTJRRVXSURMGH-BQBZGAKWSA-N 0 3 194.282 1.562 20 0 ADADHN CC[C@H](C)CN[C@@H](C)c1nnc(C)[nH]1 392395127 698013119 /nfs/dbraw/zinc/01/31/19/698013119.db2.gz YPISZRWWMDNBRB-YUMQZZPRSA-N 0 3 196.298 1.810 20 0 ADADHN CC[C@@H](C)CN[C@@H](C)c1nnc(C)[nH]1 392395126 698013205 /nfs/dbraw/zinc/01/32/05/698013205.db2.gz YPISZRWWMDNBRB-SFYZADRCSA-N 0 3 196.298 1.810 20 0 ADADHN Cc1nnc([C@H](C)[NH2+][C@@H](C)C(C)C)[n-]1 392389497 698013212 /nfs/dbraw/zinc/01/32/12/698013212.db2.gz SLLFPWMXQLXJPA-YUMQZZPRSA-N 0 3 196.298 1.808 20 0 ADADHN Cc1nnc([C@@H](C)[NH2+][C@H](C)C(C)C)[n-]1 392389490 698013238 /nfs/dbraw/zinc/01/32/38/698013238.db2.gz SLLFPWMXQLXJPA-HTQZYQBOSA-N 0 3 196.298 1.808 20 0 ADADHN Cc1nnc([C@@H](C)NCC(C)(C)C)[nH]1 392385468 698013254 /nfs/dbraw/zinc/01/32/54/698013254.db2.gz PJCJRNWSTGBLCP-SSDOTTSWSA-N 0 3 196.298 1.810 20 0 ADADHN Cc1nnc([C@@H](C)NCC2CC2)[nH]1 392413934 698013258 /nfs/dbraw/zinc/01/32/58/698013258.db2.gz GEJVKGSJJBQYIO-ZCFIWIBFSA-N 0 3 180.255 1.174 20 0 ADADHN Cc1nnc([C@H](C)N[C@H](C)C2CC2)[nH]1 392386321 698013270 /nfs/dbraw/zinc/01/32/70/698013270.db2.gz QDTJRRVXSURMGH-RQJHMYQMSA-N 0 3 194.282 1.562 20 0 ADADHN CC[C@H](C)CN[C@H](C)c1nnc(C)[nH]1 392395125 698013274 /nfs/dbraw/zinc/01/32/74/698013274.db2.gz YPISZRWWMDNBRB-JGVFFNPUSA-N 0 3 196.298 1.810 20 0 ADADHN Cc1nnc([C@H](C)NCC(C)(C)C)[nH]1 392385469 698013284 /nfs/dbraw/zinc/01/32/84/698013284.db2.gz PJCJRNWSTGBLCP-ZETCQYMHSA-N 0 3 196.298 1.810 20 0 ADADHN CCC(CC)[NH2+][C@H](C)c1nnc(C)[n-]1 392388384 698013290 /nfs/dbraw/zinc/01/32/90/698013290.db2.gz RPJXIKXYYYWYMD-SSDOTTSWSA-N 0 3 196.298 1.952 20 0 ADADHN CCC(CC)[NH2+][C@@H](C)c1nnc(C)[n-]1 392388386 698013296 /nfs/dbraw/zinc/01/32/96/698013296.db2.gz RPJXIKXYYYWYMD-ZETCQYMHSA-N 0 3 196.298 1.952 20 0 ADADHN Cc1nnc([C@H](C)NCC(C)C)[nH]1 392415923 698013301 /nfs/dbraw/zinc/01/33/01/698013301.db2.gz JCJSPYXEYWOYIS-ZETCQYMHSA-N 0 3 182.271 1.420 20 0 ADADHN Cc1nnc([C@H](C)NCC2CC2)[nH]1 392413933 698013304 /nfs/dbraw/zinc/01/33/04/698013304.db2.gz GEJVKGSJJBQYIO-LURJTMIESA-N 0 3 180.255 1.174 20 0 ADADHN CCc1ccc(CN[C@@H]2CC[C@H]2O)o1 393224264 698013893 /nfs/dbraw/zinc/01/38/93/698013893.db2.gz WVIIQKQKBCTLQI-GHMZBOCLSA-N 0 3 195.262 1.455 20 0 ADADHN CC(C)OCCCN(C)CCF 393323632 698015597 /nfs/dbraw/zinc/01/55/97/698015597.db2.gz SQWSSTISQJIMJF-UHFFFAOYSA-N 0 3 177.263 1.703 20 0 ADADHN CCN(C/C=C\Cl)[C@@H](C)CO 393512709 698018486 /nfs/dbraw/zinc/01/84/86/698018486.db2.gz KANKNPUEUGSNGK-LGYSABEFSA-N 0 3 177.675 1.442 20 0 ADADHN CC[C@@H](C)CN(C)Cn1cnnc1 393553164 698019091 /nfs/dbraw/zinc/01/90/91/698019091.db2.gz WUNDVIWWLAGXPW-SECBINFHSA-N 0 3 182.271 1.214 20 0 ADADHN CC[C@H](C)CN(C)Cn1cnnc1 393553165 698019284 /nfs/dbraw/zinc/01/92/84/698019284.db2.gz WUNDVIWWLAGXPW-VIFPVBQESA-N 0 3 182.271 1.214 20 0 ADADHN COCCCN[C@@H](C)c1ncc[nH]1 393723694 698027266 /nfs/dbraw/zinc/02/72/66/698027266.db2.gz OHDZIAUCIJSZCI-QMMMGPOBSA-N 0 3 183.255 1.097 20 0 ADADHN COCCCN[C@H](C)c1ncc[nH]1 393723693 698027456 /nfs/dbraw/zinc/02/74/56/698027456.db2.gz OHDZIAUCIJSZCI-MRVPVSSYSA-N 0 3 183.255 1.097 20 0 ADADHN C[C@@H](N(C)C/C=C/Cl)C(C)(C)O 394955012 698032313 /nfs/dbraw/zinc/03/23/13/698032313.db2.gz MONLQXFOSXSBPU-HQZHTGGTSA-N 0 3 191.702 1.830 20 0 ADADHN C[C@H](N(C)C/C=C/Cl)C(C)(C)O 394955011 698032472 /nfs/dbraw/zinc/03/24/72/698032472.db2.gz MONLQXFOSXSBPU-GJIOHYHPSA-N 0 3 191.702 1.830 20 0 ADADHN C[C@@H](N(C)C/C=C\Cl)C(C)(C)O 394955013 698032533 /nfs/dbraw/zinc/03/25/33/698032533.db2.gz MONLQXFOSXSBPU-RPSMYOMKSA-N 0 3 191.702 1.830 20 0 ADADHN C[C@H](N(C)C/C=C\Cl)C(C)(C)O 394955014 698032581 /nfs/dbraw/zinc/03/25/81/698032581.db2.gz MONLQXFOSXSBPU-SLGIHZDVSA-N 0 3 191.702 1.830 20 0 ADADHN CC/C=C\CNCc1cc(C)nn1C 395069685 698032792 /nfs/dbraw/zinc/03/27/92/698032792.db2.gz RDVLZHPEGOTBFR-WAYWQWQTSA-N 0 3 193.294 1.784 20 0 ADADHN CC/C=C/CNCc1cc(C)nn1C 395069683 698033073 /nfs/dbraw/zinc/03/30/73/698033073.db2.gz RDVLZHPEGOTBFR-AATRIKPKSA-N 0 3 193.294 1.784 20 0 ADADHN C[C@@H](N)c1cn(CCC2CCC2)nn1 398708816 698041937 /nfs/dbraw/zinc/04/19/37/698041937.db2.gz WHDMFHUQXWVTEJ-MRVPVSSYSA-N 0 3 194.282 1.488 20 0 ADADHN CC(C)C1(O)CN(CCC2CCC2)C1 398643115 698042266 /nfs/dbraw/zinc/04/22/66/698042266.db2.gz YLBLWTZOXSEPGB-UHFFFAOYSA-N 0 3 197.322 1.879 20 0 ADADHN C[C@H](N)c1cn(CCC2CCC2)nn1 398708817 698042467 /nfs/dbraw/zinc/04/24/67/698042467.db2.gz WHDMFHUQXWVTEJ-QMMMGPOBSA-N 0 3 194.282 1.488 20 0 ADADHN c1cnc(CNC2(C3CC3)CC2)cn1 700074363 698051447 /nfs/dbraw/zinc/05/14/47/698051447.db2.gz GKFMMNKETZZPJH-UHFFFAOYSA-N 0 3 189.262 1.509 20 0 ADADHN CCC(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 717406469 698063953 /nfs/dbraw/zinc/06/39/53/698063953.db2.gz BZUGLWPLHJSAKD-ZJUUUORDSA-N 0 3 196.294 1.092 20 0 ADADHN CC[C@@H]1C[C@H]1Cn1cc([C@H](C)N)nn1 723110597 698073266 /nfs/dbraw/zinc/07/32/66/698073266.db2.gz SFLXHSNYJKILDR-YIZRAAEISA-N 0 3 194.282 1.344 20 0 ADADHN CC[C@@H]1C[C@H]1Cn1cc([C@@H](C)N)nn1 723110592 698073512 /nfs/dbraw/zinc/07/35/12/698073512.db2.gz SFLXHSNYJKILDR-HLTSFMKQSA-N 0 3 194.282 1.344 20 0 ADADHN CN(Cc1c[nH]cn1)C(C)(C)C 724775854 698077041 /nfs/dbraw/zinc/07/70/41/698077041.db2.gz KZJLACXQRBOWMQ-UHFFFAOYSA-N 0 3 167.256 1.640 20 0 ADADHN CCN(Cc1cnc[nH]1)C[C@H](C)OC 724778645 698077315 /nfs/dbraw/zinc/07/73/15/698077315.db2.gz IGUOBBKLWMCVTJ-VIFPVBQESA-N 0 3 197.282 1.267 20 0 ADADHN CCN(Cc1cnc[nH]1)C[C@@H](C)OC 724778644 698077378 /nfs/dbraw/zinc/07/73/78/698077378.db2.gz IGUOBBKLWMCVTJ-SECBINFHSA-N 0 3 197.282 1.267 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@H](CF)C1 724775785 698077486 /nfs/dbraw/zinc/07/74/86/698077486.db2.gz HKMZXDUFDHBXGO-SECBINFHSA-N 0 3 197.257 1.510 20 0 ADADHN FC1CCN(Cc2cnc[nH]2)CC1 724778072 698077504 /nfs/dbraw/zinc/07/75/04/698077504.db2.gz QVVRTKCLHBEHMH-UHFFFAOYSA-N 0 3 183.230 1.344 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@@H](CF)C1 724775786 698077654 /nfs/dbraw/zinc/07/76/54/698077654.db2.gz HKMZXDUFDHBXGO-VIFPVBQESA-N 0 3 197.257 1.510 20 0 ADADHN CCO[C@H]1CCN(Cc2cnc[nH]2)C1 724777006 698077784 /nfs/dbraw/zinc/07/77/84/698077784.db2.gz IMYOBIRJWYKXQJ-JTQLQIEISA-N 0 3 195.266 1.021 20 0 ADADHN FC[C@H]1CCCN(Cc2cnc[nH]2)C1 724775020 698077812 /nfs/dbraw/zinc/07/78/12/698077812.db2.gz RPUXYHZSXXXXNG-SECBINFHSA-N 0 3 197.257 1.591 20 0 ADADHN FC[C@@H]1CCCN(Cc2cnc[nH]2)C1 724775021 698077845 /nfs/dbraw/zinc/07/78/45/698077845.db2.gz RPUXYHZSXXXXNG-VIFPVBQESA-N 0 3 197.257 1.591 20 0 ADADHN COCC(C)(C)N(C)Cc1cnc[nH]1 724780755 698077882 /nfs/dbraw/zinc/07/78/82/698077882.db2.gz POPNVYWONAALMJ-UHFFFAOYSA-N 0 3 197.282 1.267 20 0 ADADHN C[C@H]1C[C@@H](C)N(CN2CCCC2=O)C1 740861439 698083636 /nfs/dbraw/zinc/08/36/36/698083636.db2.gz WRLDCECDMAWOST-VHSXEESVSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1C[C@H](C)N(CN2CCCC2=O)C1 740861438 698083705 /nfs/dbraw/zinc/08/37/05/698083705.db2.gz WRLDCECDMAWOST-UWVGGRQHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@H]1C[C@@H](C)CN1CN1CCCC1=O 740861440 698083739 /nfs/dbraw/zinc/08/37/39/698083739.db2.gz WRLDCECDMAWOST-ZJUUUORDSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H]1C[C@@H](C)N(CN2CCCC2=O)C1 740861437 698083773 /nfs/dbraw/zinc/08/37/73/698083773.db2.gz WRLDCECDMAWOST-NXEZZACHSA-N 0 3 196.294 1.297 20 0 ADADHN C[C@@H](N(C)CC1OCCO1)C1(C)CC1 777600923 698094289 /nfs/dbraw/zinc/09/42/89/698094289.db2.gz SKSSNUXAWCSIAU-SECBINFHSA-N 0 3 199.294 1.480 20 0 ADADHN C[C@H](N(C)CC1OCCO1)C1(C)CC1 777600927 698094353 /nfs/dbraw/zinc/09/43/53/698094353.db2.gz SKSSNUXAWCSIAU-VIFPVBQESA-N 0 3 199.294 1.480 20 0 ADADHN C1COC(CN2CCC3(CC2)CC3)O1 777714195 698094667 /nfs/dbraw/zinc/09/46/67/698094667.db2.gz PXLMLVKPQPFVJA-UHFFFAOYSA-N 0 3 197.278 1.235 20 0 ADADHN C1CC2(C1)CCN(CC1OCCO1)C2 777599704 698094678 /nfs/dbraw/zinc/09/46/78/698094678.db2.gz LDMASRLAEJAHSK-UHFFFAOYSA-N 0 3 197.278 1.235 20 0 ADADHN C1=C[C@H](NCc2ccccn2)CC1 829348842 698111850 /nfs/dbraw/zinc/11/18/50/698111850.db2.gz YQMSIYJECIVWSJ-JTQLQIEISA-N 0 3 174.247 1.890 20 0 ADADHN C1=C[C@@H](NCc2cncs2)CC1 829347543 698111916 /nfs/dbraw/zinc/11/19/16/698111916.db2.gz LCHCPQROWVRHEA-MRVPVSSYSA-N 0 3 180.276 1.951 20 0 ADADHN C1=C[C@@H](NCc2ccccn2)CC1 829348844 698111936 /nfs/dbraw/zinc/11/19/36/698111936.db2.gz YQMSIYJECIVWSJ-SNVBAGLBSA-N 0 3 174.247 1.890 20 0 ADADHN C1=C[C@H](NCc2cncs2)CC1 829347546 698111950 /nfs/dbraw/zinc/11/19/50/698111950.db2.gz LCHCPQROWVRHEA-QMMMGPOBSA-N 0 3 180.276 1.951 20 0 ADADHN C1=C[C@H](NCc2cccnc2)CC1 829347838 698111996 /nfs/dbraw/zinc/11/19/96/698111996.db2.gz NQPWVLCHYHIINX-NSHDSACASA-N 0 3 174.247 1.890 20 0 ADADHN C1=C[C@@H](NCc2cccnc2)CC1 829347831 698112036 /nfs/dbraw/zinc/11/20/36/698112036.db2.gz NQPWVLCHYHIINX-LLVKDONJSA-N 0 3 174.247 1.890 20 0 ADADHN Cc1cc(CN(C)CC(C)C)n(C)n1 841829524 698119770 /nfs/dbraw/zinc/11/97/70/698119770.db2.gz QKBUMAXSEPTSNA-UHFFFAOYSA-N 0 3 195.310 1.816 20 0 ADADHN CON1CCN(CCC(C)C)CC1 846977824 698122953 /nfs/dbraw/zinc/12/29/53/698122953.db2.gz SUZZOJPISATKEV-UHFFFAOYSA-N 0 3 186.299 1.212 20 0 ADADHN Cc1cc(N)nc(NCC2CC2)n1 891678139 698152790 /nfs/dbraw/zinc/15/27/90/698152790.db2.gz QCRIEXQKLRCVFL-UHFFFAOYSA-N 0 3 178.239 1.189 20 0 ADADHN CCC[C@@H](C)Nc1nc(C)cc(N)n1 891667308 698152817 /nfs/dbraw/zinc/15/28/17/698152817.db2.gz BNUFTQHTRUPYNG-SSDOTTSWSA-N 0 3 194.282 1.968 20 0 ADADHN CSCCNc1nc(C)cc(N)n1 891511526 698152823 /nfs/dbraw/zinc/15/28/23/698152823.db2.gz WQSHSYKXLYMNOZ-UHFFFAOYSA-N 0 3 198.295 1.142 20 0 ADADHN CCn1cc(CN2CCCC2)c(C)n1 891447917 698152902 /nfs/dbraw/zinc/15/29/02/698152902.db2.gz WEHJSBBCWPWTBX-UHFFFAOYSA-N 0 3 193.294 1.807 20 0 ADADHN CCC[C@H](C)Nc1nc(C)cc(N)n1 891667309 698152946 /nfs/dbraw/zinc/15/29/46/698152946.db2.gz BNUFTQHTRUPYNG-ZETCQYMHSA-N 0 3 194.282 1.968 20 0 ADADHN Cc1cc(N)nc(NCC2CCC2)n1 891774459 698153532 /nfs/dbraw/zinc/15/35/32/698153532.db2.gz BJKZQRDUEBHUCB-UHFFFAOYSA-N 0 3 192.266 1.579 20 0 ADADHN CCNCc1c(C)noc1CC 892405179 698153896 /nfs/dbraw/zinc/15/38/96/698153896.db2.gz OMOOCKCZUUGIAV-UHFFFAOYSA-N 0 3 168.240 1.655 20 0 ADADHN CC(C)=CCNc1nc(C)cc(N)n1 893453602 698155746 /nfs/dbraw/zinc/15/57/46/698155746.db2.gz NBTYAUJKASJDNP-UHFFFAOYSA-N 0 3 192.266 1.745 20 0 ADADHN CO[C@H](C)CCNCc1ocnc1C 894214970 698157818 /nfs/dbraw/zinc/15/78/18/698157818.db2.gz MNEMXGPFVAKMIC-MRVPVSSYSA-N 0 3 198.266 1.498 20 0 ADADHN COCCCCNCc1ocnc1C 894180414 698157877 /nfs/dbraw/zinc/15/78/77/698157877.db2.gz GPSABPVIDODXCA-UHFFFAOYSA-N 0 3 198.266 1.499 20 0 ADADHN CO[C@@H](C)CCNCc1ocnc1C 894214971 698158198 /nfs/dbraw/zinc/15/81/98/698158198.db2.gz MNEMXGPFVAKMIC-QMMMGPOBSA-N 0 3 198.266 1.498 20 0 ADADHN Cc1ncoc1CNC1CC=CC1 894342592 698158431 /nfs/dbraw/zinc/15/84/31/698158431.db2.gz NCWMUFZPUFRLOX-UHFFFAOYSA-N 0 3 178.235 1.791 20 0 ADADHN Cc1ncoc1CNCCCF 894337471 698158552 /nfs/dbraw/zinc/15/85/52/698158552.db2.gz SSQLPMJBLNMPNP-UHFFFAOYSA-N 0 3 172.203 1.432 20 0 ADADHN Cc1ncoc1CN[C@@H](C)CCCO 894352764 698158560 /nfs/dbraw/zinc/15/85/60/698158560.db2.gz SDROKXWWEZJWOY-QMMMGPOBSA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CNC[C@H](C)CCO 894309661 698158618 /nfs/dbraw/zinc/15/86/18/698158618.db2.gz KVTAZGOPUMVVSM-MRVPVSSYSA-N 0 3 198.266 1.091 20 0 ADADHN Cc1ncoc1CN[C@H](C)CCCO 894352763 698158623 /nfs/dbraw/zinc/15/86/23/698158623.db2.gz SDROKXWWEZJWOY-MRVPVSSYSA-N 0 3 198.266 1.234 20 0 ADADHN CC[C@H](O)CCNCc1ocnc1C 894351444 698158651 /nfs/dbraw/zinc/15/86/51/698158651.db2.gz CLPCAMIACOBBHK-VIFPVBQESA-N 0 3 198.266 1.234 20 0 ADADHN Cc1ncoc1CNC[C@@H](C)CCO 894309667 698158671 /nfs/dbraw/zinc/15/86/71/698158671.db2.gz KVTAZGOPUMVVSM-QMMMGPOBSA-N 0 3 198.266 1.091 20 0 ADADHN CC[C@@H](O)CCNCc1ocnc1C 894351443 698158826 /nfs/dbraw/zinc/15/88/26/698158826.db2.gz CLPCAMIACOBBHK-SECBINFHSA-N 0 3 198.266 1.234 20 0 ADADHN COC(C)(C)CNCc1ocnc1C 894307876 698158908 /nfs/dbraw/zinc/15/89/08/698158908.db2.gz KPUJVKBQQJKMCB-UHFFFAOYSA-N 0 3 198.266 1.498 20 0 ADADHN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC1 895521551 698160728 /nfs/dbraw/zinc/16/07/28/698160728.db2.gz HEUGOOSNCZUBFG-SECBINFHSA-N 0 3 196.294 1.092 20 0 ADADHN CC(C)(C)N1CC[C@H]1C(=O)N1CCC1 895521552 698160880 /nfs/dbraw/zinc/16/08/80/698160880.db2.gz HEUGOOSNCZUBFG-VIFPVBQESA-N 0 3 196.294 1.092 20 0 ADADHN Cc1cc(N)nc(NC/C=C/Cl)n1 897503961 698164025 /nfs/dbraw/zinc/16/40/25/698164025.db2.gz TXDQQKBOTJONGS-NSCUHMNNSA-N 0 3 198.657 1.532 20 0 ADADHN Cc1cc(N)nc(NC/C=C\Cl)n1 897503960 698164066 /nfs/dbraw/zinc/16/40/66/698164066.db2.gz TXDQQKBOTJONGS-IHWYPQMZSA-N 0 3 198.657 1.532 20 0 ADADHN CC[C@@H](C)[C@@H](C(=O)OC)N1CCCC1 929210892 698179780 /nfs/dbraw/zinc/17/97/80/698179780.db2.gz BJRWEUASPDOEKF-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)/C=C(\C)CN1CCCCC1 929238686 698179827 /nfs/dbraw/zinc/17/98/27/698179827.db2.gz QFIFNFINHARNHM-CSKARUKUSA-N 0 3 197.278 1.592 20 0 ADADHN CC[C@@H](C)[C@H](C(=O)OC)N1CCCC1 929210889 698179878 /nfs/dbraw/zinc/17/98/78/698179878.db2.gz BJRWEUASPDOEKF-NXEZZACHSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)/C=C(/C)CN1CCCCC1 929238687 698179918 /nfs/dbraw/zinc/17/99/18/698179918.db2.gz QFIFNFINHARNHM-NTMALXAHSA-N 0 3 197.278 1.592 20 0 ADADHN CC[C@H](C)[C@H](C(=O)OC)N1CCCC1 929210891 698179922 /nfs/dbraw/zinc/17/99/22/698179922.db2.gz BJRWEUASPDOEKF-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN CC[C@H](C)[C@@H](C(=O)OC)N1CCCC1 929210890 698179943 /nfs/dbraw/zinc/17/99/43/698179943.db2.gz BJRWEUASPDOEKF-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN CCN1CCc2c(ncn2CC)C1 933261222 698183431 /nfs/dbraw/zinc/18/34/31/698183431.db2.gz DDOHSFWRAHZVLM-UHFFFAOYSA-N 0 3 179.267 1.281 20 0 ADADHN CCCN1CCc2c(ncn2CC)C1 933255787 698183650 /nfs/dbraw/zinc/18/36/50/698183650.db2.gz FFQJJHDYVVUXDW-UHFFFAOYSA-N 0 3 193.294 1.671 20 0 ADADHN CCC(=O)N1C[C@@H]2CC[C@H](C1)N2CC 1029176415 698192747 /nfs/dbraw/zinc/19/27/47/698192747.db2.gz JLBJCCMOOUYUAE-AOOOYVTPSA-N 0 3 196.294 1.092 20 0 ADADHN Clc1ccc2c(c1)OCCNC2 107129995 325618761 /nfs/dbraw/zinc/61/87/61/325618761.db2.gz ITJRVPUULCVICZ-UHFFFAOYSA-N 0 3 183.638 1.822 20 0 ADADHN C[C@@H]1CCC[C@]12NCCc1nc[nH]c12 306981230 325640103 /nfs/dbraw/zinc/64/01/03/325640103.db2.gz HOSTUFAKOGWVAZ-KCJUWKMLSA-N 0 3 191.278 1.571 20 0 ADADHN C[C@H]1CCC[C@@]12NCCc1nc[nH]c12 306981229 325640110 /nfs/dbraw/zinc/64/01/10/325640110.db2.gz HOSTUFAKOGWVAZ-GZMMTYOYSA-N 0 3 191.278 1.571 20 0 ADADHN COc1ccc2c(c1)[C@H](N)[C@@H](F)CC2 536953546 325669687 /nfs/dbraw/zinc/66/96/87/325669687.db2.gz MMOUFIKZBCLGQE-QWRGUYRKSA-N 0 3 195.237 1.979 20 0 ADADHN C[C@H]1CN(c2ccccn2)C[C@@H](C)N1 39115458 132189296 /nfs/dbraw/zinc/18/92/96/132189296.db2.gz BUEOWUQWTBKNCT-AOOOYVTPSA-N 0 3 191.278 1.268 20 0 ADADHN Cc1cc(C)nc(N2CCNCC2)c1 39115476 132189553 /nfs/dbraw/zinc/18/95/53/132189553.db2.gz YUJGMKXJJVAANU-UHFFFAOYSA-N 0 3 191.278 1.108 20 0 ADADHN Cc1ccc([C@H](N)C2CC2)o1 3739106 342984502 /nfs/dbraw/zinc/98/45/02/342984502.db2.gz MMTUYNKRGCVPBY-SECBINFHSA-N 0 3 151.209 1.998 20 0 ADADHN CCCCNC(=O)[C@@H](N)CC(C)C 5596677 343005564 /nfs/dbraw/zinc/00/55/64/343005564.db2.gz ZIOICHGLKDGQHU-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN CC(C)[C@H](N)c1nccs1 11631780 343023561 /nfs/dbraw/zinc/02/35/61/343023561.db2.gz VTMMLMUSFHMBLX-LURJTMIESA-N 0 3 156.254 1.799 20 0 ADADHN CCCCN1C[C@H](C)O[C@H](C)C1 17327358 343046460 /nfs/dbraw/zinc/04/64/60/343046460.db2.gz MZOOYGRZWKJUFA-AOOOYVTPSA-N 0 3 171.284 1.896 20 0 ADADHN CCN1CCOC[C@H]1C1CC1 17918901 343047511 /nfs/dbraw/zinc/04/75/11/343047511.db2.gz RBBBXRKOXXVIAZ-VIFPVBQESA-N 0 3 155.241 1.117 20 0 ADADHN CC(C)NCC(=O)Nc1ccccc1 19384861 343054005 /nfs/dbraw/zinc/05/40/05/343054005.db2.gz WZJIBCZQIKAXSU-UHFFFAOYSA-N 0 3 192.262 1.623 20 0 ADADHN CCCCCNC(=O)[C@H]1CCCCN1 19411207 343054537 /nfs/dbraw/zinc/05/45/37/343054537.db2.gz VZSNVSBKUQSGJW-SNVBAGLBSA-N 0 3 198.310 1.435 20 0 ADADHN CCc1cccc(NC(=O)[C@H](C)N)c1 19475003 343055576 /nfs/dbraw/zinc/05/55/76/343055576.db2.gz HDXIVNUEISVUDR-QMMMGPOBSA-N 0 3 192.262 1.535 20 0 ADADHN Cc1ccc(NC(=O)[C@@H](C)N)cc1F 19514364 343057105 /nfs/dbraw/zinc/05/71/05/343057105.db2.gz ZPQRFEUOQGQGQK-SSDOTTSWSA-N 0 3 196.225 1.420 20 0 ADADHN CC[C@H](C)NC(=O)C1(N)CCCCC1 19517035 343057241 /nfs/dbraw/zinc/05/72/41/343057241.db2.gz JTIJSEJHCRUJDS-VIFPVBQESA-N 0 3 198.310 1.563 20 0 ADADHN CNCC(=O)Nc1ccc(C)c(F)c1 19519448 343057683 /nfs/dbraw/zinc/05/76/83/343057683.db2.gz ICTKUQLXNOCXEX-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN CCCCNC(=O)[C@H](N)CC(C)C 19519440 343057698 /nfs/dbraw/zinc/05/76/98/343057698.db2.gz ZIOICHGLKDGQHU-SECBINFHSA-N 0 3 186.299 1.276 20 0 ADADHN C[C@H](NCc1ccccn1)C1CC1 19957392 343064930 /nfs/dbraw/zinc/06/49/30/343064930.db2.gz WKGINKPFGRTSKO-VIFPVBQESA-N 0 3 176.263 1.970 20 0 ADADHN CCCCC(=O)N1CCCN(C)CC1 20495714 343073953 /nfs/dbraw/zinc/07/39/53/343073953.db2.gz SUCCFWGVBRVLIC-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CC[C@H](CO)N[C@@H](C)c1ccco1 20195104 343068841 /nfs/dbraw/zinc/06/88/41/343068841.db2.gz RCBGZTUIIFSZIX-DTWKUNHWSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@@H](CO)NCc1cccc(O)c1 20195660 343068859 /nfs/dbraw/zinc/06/88/59/343068859.db2.gz XWBBJUNSPXQXPL-JTQLQIEISA-N 0 3 195.262 1.253 20 0 ADADHN CC[C@@H](CO)N[C@H](C)c1ccco1 20195107 343068871 /nfs/dbraw/zinc/06/88/71/343068871.db2.gz RCBGZTUIIFSZIX-BDAKNGLRSA-N 0 3 183.251 1.701 20 0 ADADHN CCCNCc1c(C)noc1C 20252772 343069962 /nfs/dbraw/zinc/06/99/62/343069962.db2.gz VTRCZVWHGCHQIK-UHFFFAOYSA-N 0 3 168.240 1.791 20 0 ADADHN CCN[C@@H](C)C(=O)NC(C)(C)CC 20363991 343072517 /nfs/dbraw/zinc/07/25/17/343072517.db2.gz OJBFLPJQKKJBCM-QMMMGPOBSA-N 0 3 186.299 1.289 20 0 ADADHN CCN[C@@H](C)C(=O)NCCC(C)C 20363979 343072523 /nfs/dbraw/zinc/07/25/23/343072523.db2.gz JOMZWWMRFHJGGC-VIFPVBQESA-N 0 3 186.299 1.147 20 0 ADADHN CCn1ccnc1CNC1CCCC1 22861941 343082193 /nfs/dbraw/zinc/08/21/93/343082193.db2.gz BDQIFNUKNUDSSU-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CCN(C)Cc1ccc2c(c1)OCO2 32171522 343099747 /nfs/dbraw/zinc/09/97/47/343099747.db2.gz GBLFQRUTYZJXLY-UHFFFAOYSA-N 0 3 193.246 1.867 20 0 ADADHN C[C@H](O)[C@H](N)c1ccc(F)c(F)c1 34414282 343118858 /nfs/dbraw/zinc/11/88/58/343118858.db2.gz BKMCHPFXUMNRLJ-CDUCUWFYSA-N 0 3 187.189 1.345 20 0 ADADHN CC1(C)Oc2ccsc2[C@H](N)[C@@H]1O 34420536 343118915 /nfs/dbraw/zinc/11/89/15/343118915.db2.gz XKGVOPVKKXUCIE-XPUUQOCRSA-N 0 3 199.275 1.280 20 0 ADADHN CNCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 34651122 343124066 /nfs/dbraw/zinc/12/40/66/343124066.db2.gz RXJNISQQRDDOIT-IVZWLZJFSA-N 0 3 198.310 1.147 20 0 ADADHN CN(C)CC[C@H](O)c1ccsc1 34432633 343119449 /nfs/dbraw/zinc/11/94/49/343119449.db2.gz HKVIPLMMUMBSKB-VIFPVBQESA-N 0 3 185.292 1.733 20 0 in-vitro ADADHN CCN1CCC[C@H](N2CCCC2=O)C1 34490601 343119988 /nfs/dbraw/zinc/11/99/88/343119988.db2.gz QPFIZCJPVXVHDY-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN COC1(C)CN(CC(C)C)C1 34497475 343120325 /nfs/dbraw/zinc/12/03/25/343120325.db2.gz MHQLCWBOVFUOFI-UHFFFAOYSA-N 0 3 157.257 1.363 20 0 ADADHN CCc1cccc2c1OC[C@@H]2N 35657709 343135975 /nfs/dbraw/zinc/13/59/75/343135975.db2.gz HAOUCRMXJPUIAV-VIFPVBQESA-N 0 3 163.220 1.641 20 0 ADADHN Cc1ccc(C)c2c1OC[C@@H]2N 35653475 343135979 /nfs/dbraw/zinc/13/59/79/343135979.db2.gz XINZTDZMZANOCF-QMMMGPOBSA-N 0 3 163.220 1.696 20 0 ADADHN Cc1ccc([C@@H](C)NCCO)s1 34973719 343126816 /nfs/dbraw/zinc/12/68/16/343126816.db2.gz GLHBGVYGDXFBJP-MRVPVSSYSA-N 0 3 185.292 1.699 20 0 ADADHN CC(C)CC[C@@H](C)NC(=O)[C@H](C)N 36135629 343140569 /nfs/dbraw/zinc/14/05/69/343140569.db2.gz YMYHPFDKLOYPKR-BDAKNGLRSA-N 0 3 186.299 1.275 20 0 ADADHN CN(C(=O)CN)C1CCCCCC1 36328520 343144452 /nfs/dbraw/zinc/14/44/52/343144452.db2.gz FJJUWGNLWORESX-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN C[C@H](N)C(=O)N(C)C1CCCCCC1 36328556 343144525 /nfs/dbraw/zinc/14/45/25/343144525.db2.gz NSLPCHDDXLDJIX-VIFPVBQESA-N 0 3 198.310 1.515 20 0 ADADHN CC[C@@H](N)C(=O)NC1CCCCCC1 36871576 343151514 /nfs/dbraw/zinc/15/15/14/343151514.db2.gz BQLRDKUHRNMOPI-SNVBAGLBSA-N 0 3 198.310 1.563 20 0 ADADHN C[C@H](NC1CCCC1)c1nncn1C 37016753 343157343 /nfs/dbraw/zinc/15/73/43/343157343.db2.gz KQRYKJSGYPVUEE-QMMMGPOBSA-N 0 3 194.282 1.408 20 0 ADADHN CCCN(C)C(=O)C1(N)CCCCC1 37098495 343159788 /nfs/dbraw/zinc/15/97/88/343159788.db2.gz IYWGAARRIUNPBJ-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NCC1CCC1 37180822 343162009 /nfs/dbraw/zinc/16/20/09/343162009.db2.gz JDBNWFDWCSMRDI-WPRPVWTQSA-N 0 3 198.310 1.276 20 0 ADADHN CCC(CC)NC(=O)CNC1CC1 37390182 343167831 /nfs/dbraw/zinc/16/78/31/343167831.db2.gz PZTKLYCDAMQFPW-UHFFFAOYSA-N 0 3 184.283 1.043 20 0 ADADHN CC[C@@H](O)CN(C)Cc1cccs1 37693976 343175827 /nfs/dbraw/zinc/17/58/27/343175827.db2.gz LLTMUCDELSOELF-SECBINFHSA-N 0 3 199.319 1.951 20 0 ADADHN CNCC(=O)N(C)[C@@H]1CCCC[C@H]1C 37806881 343178398 /nfs/dbraw/zinc/17/83/98/343178398.db2.gz WKFMRKVZKVYBNZ-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)N 37806848 343178423 /nfs/dbraw/zinc/17/84/23/343178423.db2.gz BSDRBTOUUAULKS-AEJSXWLSSA-N 0 3 198.310 1.371 20 0 ADADHN CNCC(=O)N(C)[C@H]1CCCC[C@@H]1C 37806880 343178527 /nfs/dbraw/zinc/17/85/27/343178527.db2.gz WKFMRKVZKVYBNZ-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CC1CCC(N(C)C(=O)[C@H](C)N)CC1 37805517 343178538 /nfs/dbraw/zinc/17/85/38/343178538.db2.gz SMUFFSBCRWGDRS-KYHHOPLUSA-N 0 3 198.310 1.371 20 0 ADADHN Cc1ccc(CN(C)C[C@@H](C)O)cc1 37693649 343174529 /nfs/dbraw/zinc/17/45/29/343174529.db2.gz TZPQQFPFMIDDGN-LLVKDONJSA-N 0 3 193.290 1.808 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C 37912029 343181021 /nfs/dbraw/zinc/18/10/21/343181021.db2.gz WFHLZYLNYKJILM-GUBZILKMSA-N 0 3 198.310 1.371 20 0 ADADHN CSCCCNCc1c[nH]nc1C 37989282 343182907 /nfs/dbraw/zinc/18/29/07/343182907.db2.gz OIALSEYHHBAFHK-UHFFFAOYSA-N 0 3 199.323 1.561 20 0 ADADHN C[C@@H](CNCc1ccco1)N(C)C 38088704 343184568 /nfs/dbraw/zinc/18/45/68/343184568.db2.gz IRZBFRAEEYLYPN-VIFPVBQESA-N 0 3 182.267 1.319 20 0 ADADHN CC(C)CCCNCc1ccnn1C 38093621 343184642 /nfs/dbraw/zinc/18/46/42/343184642.db2.gz WWXKZIDONHKPSB-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1 37911971 343181011 /nfs/dbraw/zinc/18/10/11/343181011.db2.gz BMFRBVQLSPUKJN-UWVGGRQHSA-N 0 3 196.294 1.139 20 0 ADADHN CCCCCN1CCN(C)CC1 39113766 343200008 /nfs/dbraw/zinc/20/00/08/343200008.db2.gz LRDLXMIUTUKOGZ-UHFFFAOYSA-N 0 3 170.300 1.424 20 0 ADADHN CCCCN1CCN(C)CC1 39113522 343200125 /nfs/dbraw/zinc/20/01/25/343200125.db2.gz PKDQMOKKIZEPQO-UHFFFAOYSA-N 0 3 156.273 1.034 20 0 ADADHN CCCN1CCOC(C)(C)C1 39279407 343209756 /nfs/dbraw/zinc/20/97/56/343209756.db2.gz TZZRGTBZDPOJCI-UHFFFAOYSA-N 0 3 157.257 1.507 20 0 ADADHN CC(C)NC(=O)CN1CCC[C@H](C)C1 40161473 343215297 /nfs/dbraw/zinc/21/52/97/343215297.db2.gz ALOQSQIGRQSGTF-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)OC(=O)CCN1CCCCC1 39988864 343214964 /nfs/dbraw/zinc/21/49/64/343214964.db2.gz UWCUINNURARNAX-UHFFFAOYSA-N 0 3 199.294 1.814 20 0 ADADHN C[C@H]1CCN(C(=O)C2(N)CCCC2)C1 40724775 343222125 /nfs/dbraw/zinc/22/21/25/343222125.db2.gz STOWZDQVRQAHCY-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN Cc1cc(CNC(C)C)on1 41042112 343226141 /nfs/dbraw/zinc/22/61/41/343226141.db2.gz AUJCWLYGKVYZTR-UHFFFAOYSA-N 0 3 154.213 1.481 20 0 ADADHN OCc1cc(N2CCCC2)ccn1 40863878 343223644 /nfs/dbraw/zinc/22/36/44/343223644.db2.gz JJUYJXYQSYJRER-UHFFFAOYSA-N 0 3 178.235 1.174 20 0 ADADHN C[C@H]1C[C@@H](C)CN(CC(=O)N(C)C)C1 41363036 343233326 /nfs/dbraw/zinc/23/33/26/343233326.db2.gz QIZRSQYZJHDRKQ-AOOOYVTPSA-N 0 3 198.310 1.053 20 0 ADADHN C[C@@H](C(=O)N(C)C)N1CCCCCC1 41363205 343233580 /nfs/dbraw/zinc/23/35/80/343233580.db2.gz JDGRNWVWDVCXLM-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)N1C[C@H](C)O[C@H](C)C1 41363272 343233623 /nfs/dbraw/zinc/23/36/23/343233623.db2.gz IJUOMCMYAFYRGH-DTORHVGOSA-N 0 3 157.257 1.504 20 0 ADADHN CC(C)SCCN(C)C 41363991 343233740 /nfs/dbraw/zinc/23/37/40/343233740.db2.gz OUXONWCQMZSWQL-UHFFFAOYSA-N 0 3 147.287 1.690 20 0 ADADHN CC(C)NC(=O)CN1CCCC[C@H]1C 41362586 343233307 /nfs/dbraw/zinc/23/33/07/343233307.db2.gz NBRHGXFPAGGBNY-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN Cc1cccc(CN(C)C[C@@H](C)O)c1 42307296 343239946 /nfs/dbraw/zinc/23/99/46/343239946.db2.gz DGLBDRVRNKBJTH-LLVKDONJSA-N 0 3 193.290 1.808 20 0 ADADHN OCCN(Cc1cccs1)C1CC1 42338723 343240694 /nfs/dbraw/zinc/24/06/94/343240694.db2.gz TXISVDUZCKFSIX-UHFFFAOYSA-N 0 3 197.303 1.705 20 0 ADADHN C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H](C)N 42868035 343250234 /nfs/dbraw/zinc/25/02/34/343250234.db2.gz ICIHLWMWSFCZTC-IVZWLZJFSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H]1CCCC[C@H]1CNC(=O)[C@@H](C)N 42868040 343250259 /nfs/dbraw/zinc/25/02/59/343250259.db2.gz ICIHLWMWSFCZTC-AEJSXWLSSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H](O)CCN(C)Cc1cccnc1 44134008 343260955 /nfs/dbraw/zinc/26/09/55/343260955.db2.gz KZOARRQDTINLNO-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN CC1(C)C[C@@H]1NCc1ccccn1 44371087 343264213 /nfs/dbraw/zinc/26/42/13/343264213.db2.gz XEIKDKPNDMXHCS-JTQLQIEISA-N 0 3 176.263 1.970 20 0 ADADHN COC[C@H](C)CNCc1ccc(C)o1 44478335 343266221 /nfs/dbraw/zinc/26/62/21/343266221.db2.gz LNDAALZJZJRIQD-SECBINFHSA-N 0 3 197.278 1.960 20 0 ADADHN COCC[C@@H](C)NCc1ccco1 45017214 343270161 /nfs/dbraw/zinc/27/01/61/343270161.db2.gz XGROXRVARQDMDV-SECBINFHSA-N 0 3 183.251 1.794 20 0 ADADHN CC[C@H](C)[C@H](C)NCc1ncc[nH]1 49715694 343276576 /nfs/dbraw/zinc/27/65/76/343276576.db2.gz GBFWTBQUDTUHCE-IUCAKERBSA-N 0 3 181.283 1.934 20 0 ADADHN CC[C@H](NCc1ncc[nH]1)C(C)C 49715699 343276613 /nfs/dbraw/zinc/27/66/13/343276613.db2.gz CGACFFATFOOCTO-VIFPVBQESA-N 0 3 181.283 1.934 20 0 ADADHN CCn1cnnc1CNC1CCCC1 49938035 343277345 /nfs/dbraw/zinc/27/73/45/343277345.db2.gz LCHWMLWWTUJLSE-UHFFFAOYSA-N 0 3 194.282 1.330 20 0 ADADHN CNCC(=O)N(C)c1ccc(F)cc1 49965885 343277366 /nfs/dbraw/zinc/27/73/66/343277366.db2.gz WFRWFPWLWKXFKJ-UHFFFAOYSA-N 0 3 196.225 1.008 20 0 ADADHN Cc1ccc(N(C)C(=O)[C@H](C)N)cc1 50008716 343277653 /nfs/dbraw/zinc/27/76/53/343277653.db2.gz KLRZCGVNOXEHCS-VIFPVBQESA-N 0 3 192.262 1.305 20 0 ADADHN Cc1ccc(N(C)C(=O)[C@@H](C)N)cc1 50008715 343277665 /nfs/dbraw/zinc/27/76/65/343277665.db2.gz KLRZCGVNOXEHCS-SECBINFHSA-N 0 3 192.262 1.305 20 0 ADADHN CC(C)N(CCCO)Cc1ccco1 50105521 343278227 /nfs/dbraw/zinc/27/82/27/343278227.db2.gz GDDIADZEVXWIAB-UHFFFAOYSA-N 0 3 197.278 1.872 20 0 ADADHN CCCN(CCO)Cc1ccsc1 50106354 343278447 /nfs/dbraw/zinc/27/84/47/343278447.db2.gz VFXJRWZQEPGQOB-UHFFFAOYSA-N 0 3 199.319 1.952 20 0 ADADHN Cc1ccc(-n2cc(CN)nn2)cc1 50224086 343279505 /nfs/dbraw/zinc/27/95/05/343279505.db2.gz IWZVNYHDPVEPNB-UHFFFAOYSA-N 0 3 188.234 1.034 20 0 ADADHN Cc1ccc(CNC(=O)[C@H](C)N)s1 50226575 343280206 /nfs/dbraw/zinc/28/02/06/343280206.db2.gz YJMMTRLNSDPFIU-ZETCQYMHSA-N 0 3 198.291 1.020 20 0 ADADHN OCCCCCN1CCSCC1 51019730 343287902 /nfs/dbraw/zinc/28/79/02/343287902.db2.gz WKPOTSSLLXMKAX-UHFFFAOYSA-N 0 3 189.324 1.198 20 0 ADADHN CN(CCCCCO)Cc1ccoc1 51019919 343287940 /nfs/dbraw/zinc/28/79/40/343287940.db2.gz WQOJLAZGLXKCQQ-UHFFFAOYSA-N 0 3 197.278 1.874 20 0 ADADHN C[C@@H](CO)NC/C=C/c1ccccc1 51789942 343293768 /nfs/dbraw/zinc/29/37/68/343293768.db2.gz PXOZGGJMJVUKHR-BWNDKRECSA-N 0 3 191.274 1.670 20 0 ADADHN C[C@H](N)C(=O)N[C@H](C)C1CCCCC1 52342144 343305974 /nfs/dbraw/zinc/30/59/74/343305974.db2.gz GXHNRJCYUYRTHO-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CCN(Cc2ccnc(N)c2)C1 52723153 343306677 /nfs/dbraw/zinc/30/66/77/343306677.db2.gz BPWGXYFAABTLBX-VIFPVBQESA-N 0 3 191.278 1.506 20 0 ADADHN C[C@H]1CCCN1Cc1ccnc(N)c1 52709422 343306696 /nfs/dbraw/zinc/30/66/96/343306696.db2.gz BAVUEYSCTUFBFK-VIFPVBQESA-N 0 3 191.278 1.648 20 0 ADADHN C[C@H]1CCN(Cc2cccnc2N)C1 52723122 343306632 /nfs/dbraw/zinc/30/66/32/343306632.db2.gz XDGYIIRPPARJHE-VIFPVBQESA-N 0 3 191.278 1.506 20 0 ADADHN COCCNCc1cc(C)ccc1F 53292980 343314219 /nfs/dbraw/zinc/31/42/19/343314219.db2.gz VYRJNGIOJSUIAQ-UHFFFAOYSA-N 0 3 197.253 1.870 20 0 ADADHN CNCc1cnn(CC(F)(F)F)c1 54719131 343328142 /nfs/dbraw/zinc/32/81/42/343328142.db2.gz SLDJXJFESJJXLQ-UHFFFAOYSA-N 0 3 193.172 1.165 20 0 ADADHN CCC(C)(C)NCc1cn(C)nn1 54858363 343330910 /nfs/dbraw/zinc/33/09/10/343330910.db2.gz DYHZQIWPBUABAQ-UHFFFAOYSA-N 0 3 182.271 1.093 20 0 ADADHN CC(C)NCc1cnc(N(C)C)nc1 54856032 343330941 /nfs/dbraw/zinc/33/09/41/343330941.db2.gz DOGKKVIKAWTSFG-UHFFFAOYSA-N 0 3 194.282 1.041 20 0 ADADHN CC1(NCc2cnccn2)CCCC1 54766635 343328885 /nfs/dbraw/zinc/32/88/85/343328885.db2.gz ABMJVKRGFNVFNZ-UHFFFAOYSA-N 0 3 191.278 1.899 20 0 ADADHN Cc1cc(CN)nc(C2CC2)n1 54830724 343330274 /nfs/dbraw/zinc/33/02/74/343330274.db2.gz QXCOJNDXUIMDRV-UHFFFAOYSA-N 0 3 163.224 1.121 20 0 ADADHN C[C@@H](C(N)=O)N1CCCCCCC1 57407009 343337206 /nfs/dbraw/zinc/33/72/06/343337206.db2.gz NJTKSXIWOLIGQP-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN C#Cc1ccc(N2CCNCC2)cc1 59210029 343343152 /nfs/dbraw/zinc/34/31/52/343343152.db2.gz KVPRBHZXBAWDRJ-UHFFFAOYSA-N 0 3 186.258 1.078 20 0 ADADHN CCCCOc1ccnc(C(=N)N)c1 61814607 343364082 /nfs/dbraw/zinc/36/40/82/343364082.db2.gz OODBYSZOQDNNOK-UHFFFAOYSA-N 0 3 193.250 1.545 20 0 ADADHN CCCCC(=O)N1C[C@@H](C)NC[C@H]1C 62568095 343376524 /nfs/dbraw/zinc/37/65/24/343376524.db2.gz VTVFZDLMHFRNGN-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H]1Oc2c(ccc(F)c2F)[C@@H]1N 62611500 343376686 /nfs/dbraw/zinc/37/66/86/343376686.db2.gz BKBLOLZHKWEOLE-SPGJFGJESA-N 0 3 185.173 1.746 20 0 ADADHN CC[C@@H](C)COC1CNC1 62809930 343381041 /nfs/dbraw/zinc/38/10/41/343381041.db2.gz LKKVIUYWMAVSKA-SSDOTTSWSA-N 0 3 143.230 1.021 20 0 ADADHN Cc1cnc(NC[C@H](C)N(C)C)nc1 63048697 343398695 /nfs/dbraw/zinc/39/86/95/343398695.db2.gz JRFREWBHXRQPTN-VIFPVBQESA-N 0 3 194.282 1.147 20 0 ADADHN CNCc1c(C2CC2)n[nH]c1C 66135305 343409401 /nfs/dbraw/zinc/40/94/01/343409401.db2.gz UUURWBVWWMQVPC-UHFFFAOYSA-N 0 3 165.240 1.315 20 0 ADADHN CCn1nccc1CNC(C)(C)C 69049578 343424233 /nfs/dbraw/zinc/42/42/33/343424233.db2.gz FBIFQVUMHSDBJR-UHFFFAOYSA-N 0 3 181.283 1.791 20 0 ADADHN C[C@H]1C[C@H](NCc2cc[nH]n2)CCO1 69889904 343450916 /nfs/dbraw/zinc/45/09/16/343450916.db2.gz RLLQHKHRVHHWEC-DTWKUNHWSA-N 0 3 195.266 1.067 20 0 ADADHN CCCC(=O)N[C@@H]1CCCN(CC)C1 70227554 343482692 /nfs/dbraw/zinc/48/26/92/343482692.db2.gz UUFNCMQULLCUCI-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H]1CCCN(C(=O)[C@@H](C)N)CC1 70613354 343502856 /nfs/dbraw/zinc/50/28/56/343502856.db2.gz XZZLVONVEIZBKM-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CCNCc1nn(C)c2ccccc12 70621380 343504838 /nfs/dbraw/zinc/50/48/38/343504838.db2.gz WHPFNKGVQMVIGN-UHFFFAOYSA-N 0 3 189.262 1.683 20 0 ADADHN C[C@H]1CC[C@@H](NCc2nc[nH]n2)C1 70643442 343515079 /nfs/dbraw/zinc/51/50/79/343515079.db2.gz BOALFKQHXHZAOW-JGVFFNPUSA-N 0 3 180.255 1.083 20 0 ADADHN O[C@@H](CNCc1ccsc1)C1CC1 70880224 343538388 /nfs/dbraw/zinc/53/83/88/343538388.db2.gz XJGVIKJATXMXOY-JTQLQIEISA-N 0 3 197.303 1.609 20 0 ADADHN Cc1cc(C)nc(C(C)(C)N)n1 70948572 343543171 /nfs/dbraw/zinc/54/31/71/343543171.db2.gz WHMAPIJNPPDZRT-UHFFFAOYSA-N 0 3 165.240 1.287 20 0 ADADHN CC[C@@](C)(N)c1nccc(C)n1 70948804 343543670 /nfs/dbraw/zinc/54/36/70/343543670.db2.gz VBHRPHKLLVTUBI-SECBINFHSA-N 0 3 165.240 1.369 20 0 ADADHN CC[C@@H](N)C1=NCc2ccccc2N1 71372350 343552544 /nfs/dbraw/zinc/55/25/44/343552544.db2.gz AARRKIKNIRZAJM-SECBINFHSA-N 0 3 189.262 1.557 20 0 ADADHN CC[C@H](N)C1=NCc2ccccc2N1 71372349 343552576 /nfs/dbraw/zinc/55/25/76/343552576.db2.gz AARRKIKNIRZAJM-VIFPVBQESA-N 0 3 189.262 1.557 20 0 ADADHN C[C@@H](N[C@@H]1CCOC1)c1ccncc1 70964325 343545285 /nfs/dbraw/zinc/54/52/85/343545285.db2.gz LMUPGHNWXDTURM-MWLCHTKSSA-N 0 3 192.262 1.521 20 0 ADADHN C[C@@H](N[C@H]1CCOC1)c1ccncc1 70964334 343545389 /nfs/dbraw/zinc/54/53/89/343545389.db2.gz LMUPGHNWXDTURM-KOLCDFICSA-N 0 3 192.262 1.521 20 0 ADADHN CCCCC(=O)N1CCN[C@H](C)[C@H]1C 71507740 343555922 /nfs/dbraw/zinc/55/59/22/343555922.db2.gz LBXQHNGNGVWWOV-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CN(C)CCSc1ccccn1 72262977 343567988 /nfs/dbraw/zinc/56/79/88/343567988.db2.gz NERQPWDZQUAJIP-UHFFFAOYSA-N 0 3 182.292 1.735 20 0 ADADHN NCc1cc(C2CCCCC2)ncn1 74271635 343571668 /nfs/dbraw/zinc/57/16/68/343571668.db2.gz PBKAAYSMCXVLPD-UHFFFAOYSA-N 0 3 191.278 1.983 20 0 ADADHN NCc1cc(C2CCC2)ncn1 74340757 343572917 /nfs/dbraw/zinc/57/29/17/343572917.db2.gz FFQPHHZEXTYJFI-UHFFFAOYSA-N 0 3 163.224 1.203 20 0 ADADHN Cc1ccccc1-c1cc(CN)ncn1 74215030 343571611 /nfs/dbraw/zinc/57/16/11/343571611.db2.gz KQMCVXJAUDHVKV-UHFFFAOYSA-N 0 3 199.257 1.911 20 0 ADADHN NC1CN(Cc2ccc(F)cc2F)C1 74238499 343571637 /nfs/dbraw/zinc/57/16/37/343571637.db2.gz KNTAGWCNIKNMSZ-UHFFFAOYSA-N 0 3 198.216 1.108 20 0 ADADHN Cc1ccc(CN2CC[C@H](O)C2)s1 74239007 343571652 /nfs/dbraw/zinc/57/16/52/343571652.db2.gz PVCPPNOLWHFSPP-VIFPVBQESA-N 0 3 197.303 1.623 20 0 ADADHN CC(C)CC(=O)NC[C@H]1CCCN1C 82277231 343597927 /nfs/dbraw/zinc/59/79/27/343597927.db2.gz POVAAKWQNIQUEB-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)C(=O)NC[C@H]1CCCN(C)C1 82375803 343599824 /nfs/dbraw/zinc/59/98/24/343599824.db2.gz IWRNQSXLSIHDTL-SNVBAGLBSA-N 0 3 198.310 1.100 20 0 ADADHN CCOC(=O)[C@H](CC)N1CCC[C@@H]1C 82761040 343611876 /nfs/dbraw/zinc/61/18/76/343611876.db2.gz CEVBBSNUENKCIE-UWVGGRQHSA-N 0 3 199.294 1.812 20 0 ADADHN C[C@H](CN)SC1=NCCS1 82634343 343608599 /nfs/dbraw/zinc/60/85/99/343608599.db2.gz FSHDEEGFCQKTNR-RXMQYKEDSA-N 0 3 176.310 1.170 20 0 ADADHN CC[C@@](C)(O)CNCc1ccsc1 82687210 343610255 /nfs/dbraw/zinc/61/02/55/343610255.db2.gz CRQZEYJDZKPGIA-SNVBAGLBSA-N 0 3 199.319 1.999 20 0 ADADHN CC[C@](C)(O)CNCc1ccncc1 82687207 343610281 /nfs/dbraw/zinc/61/02/81/343610281.db2.gz SMOFEDLSFGNWIO-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@](C)(O)CNCc1cccnc1 82687199 343610292 /nfs/dbraw/zinc/61/02/92/343610292.db2.gz JRLWYPGTBAPHFZ-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@](C)(O)CNCc1ccco1 82687145 343610297 /nfs/dbraw/zinc/61/02/97/343610297.db2.gz OVTYBQDGXBYZEC-JTQLQIEISA-N 0 3 183.251 1.530 20 0 ADADHN CC[C@@](C)(O)CNCc1ccc(C)o1 82687274 343610302 /nfs/dbraw/zinc/61/03/02/343610302.db2.gz KJLCOKLQMUTOJG-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN C[C@H](O)CCN[C@H](C)c1cccnc1 82992760 343615880 /nfs/dbraw/zinc/61/58/80/343615880.db2.gz LDAMOGOCKUFACU-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1ncnn1C 83971040 343629580 /nfs/dbraw/zinc/62/95/80/343629580.db2.gz FHOYNWPSTASXFI-BDAKNGLRSA-N 0 3 194.282 1.093 20 0 ADADHN NCc1c[nH]nc1C1CCC1 84250575 343633259 /nfs/dbraw/zinc/63/32/59/343633259.db2.gz CIWJAGUXRHYRHE-UHFFFAOYSA-N 0 3 151.213 1.136 20 0 ADADHN CC1CCC(N2CC(O)C2)CC1 84837117 343637990 /nfs/dbraw/zinc/63/79/90/343637990.db2.gz SBVRXQYINMQJIR-UHFFFAOYSA-N 0 3 169.268 1.242 20 0 ADADHN COC[C@@H](NCc1cn[nH]c1)C(C)C 85445087 343644167 /nfs/dbraw/zinc/64/41/67/343644167.db2.gz JWUHBEXJYQPJSJ-SNVBAGLBSA-N 0 3 197.282 1.170 20 0 ADADHN COC[C@H](NCc1cn[nH]c1)C(C)C 85445089 343644199 /nfs/dbraw/zinc/64/41/99/343644199.db2.gz JWUHBEXJYQPJSJ-JTQLQIEISA-N 0 3 197.282 1.170 20 0 ADADHN C[C@@H](N)C(=O)Nc1ccsc1 85535104 343644677 /nfs/dbraw/zinc/64/46/77/343644677.db2.gz XUHYDUWVADNODP-RXMQYKEDSA-N 0 3 170.237 1.034 20 0 ADADHN NC1(C(=O)Nc2ccsc2)CC1 85535024 343644689 /nfs/dbraw/zinc/64/46/89/343644689.db2.gz YFYZPJUDYPWDCQ-UHFFFAOYSA-N 0 3 182.248 1.178 20 0 ADADHN CCN(CCCO)Cc1ccccn1 85697298 343646712 /nfs/dbraw/zinc/64/67/12/343646712.db2.gz OLNGDAFFDZOARE-UHFFFAOYSA-N 0 3 194.278 1.286 20 0 ADADHN CCC1(CC)CCN(C(=O)[C@H](C)N)C1 87253721 343658695 /nfs/dbraw/zinc/65/86/95/343658695.db2.gz UHTVXRZYNBJXEX-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H]1CCCN1Cc1cnc(N)s1 86765553 343655004 /nfs/dbraw/zinc/65/50/04/343655004.db2.gz FLTNZYIVUYZDTD-ZETCQYMHSA-N 0 3 197.307 1.710 20 0 ADADHN C[C@@H]1CCCN1Cc1cnc(N)s1 86765550 343655080 /nfs/dbraw/zinc/65/50/80/343655080.db2.gz FLTNZYIVUYZDTD-SSDOTTSWSA-N 0 3 197.307 1.710 20 0 ADADHN C[C@@H]1CCCN(C(=O)C2(N)CCC2)C1 88049987 343666868 /nfs/dbraw/zinc/66/68/68/343666868.db2.gz AZPHZCLFUYCDKG-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN CCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 88055986 343667225 /nfs/dbraw/zinc/66/72/25/343667225.db2.gz RSTLDMQBDXHENN-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)(C)c1n[nH]cc1CNC1CC1 88330023 343671063 /nfs/dbraw/zinc/67/10/63/343671063.db2.gz OLQCQNMPAYJFDF-UHFFFAOYSA-N 0 3 193.294 1.959 20 0 ADADHN CNCc1c[nH]nc1C(C)(C)C 88330028 343671323 /nfs/dbraw/zinc/67/13/23/343671323.db2.gz XDDIXKUDMMPKOG-UHFFFAOYSA-N 0 3 167.256 1.427 20 0 ADADHN CC(C)Oc1cscc1CN 90394377 343675191 /nfs/dbraw/zinc/67/51/91/343675191.db2.gz LICRFLUSPLRZOK-UHFFFAOYSA-N 0 3 171.265 1.994 20 0 ADADHN Cc1ccc(-c2cncc(CN)c2)nc1 91351636 343677427 /nfs/dbraw/zinc/67/74/27/343677427.db2.gz WGJILYUOEVJMAH-UHFFFAOYSA-N 0 3 199.257 1.911 20 0 ADADHN CC[C@@H](NCCO)c1ccccc1F 96034228 343694541 /nfs/dbraw/zinc/69/45/41/343694541.db2.gz XSSOHQKGAASFTL-LLVKDONJSA-N 0 3 197.253 1.859 20 0 ADADHN CN(c1ccncc1)C1CCOCC1 98180662 343706658 /nfs/dbraw/zinc/70/66/58/343706658.db2.gz NNQMCBMQKYIYGS-UHFFFAOYSA-N 0 3 192.262 1.697 20 0 ADADHN Cc1noc(C)c1CN[C@@H](C)CCO 96811708 343700664 /nfs/dbraw/zinc/70/06/64/343700664.db2.gz NNDXMEXOWWYJPM-ZETCQYMHSA-N 0 3 198.266 1.152 20 0 ADADHN Cc1ccc(CN[C@@H](C)CCO)o1 96811756 343700675 /nfs/dbraw/zinc/70/06/75/343700675.db2.gz BFVSEIZRVAIWFE-QMMMGPOBSA-N 0 3 183.251 1.449 20 0 ADADHN Cn1ccc(CNCCC2CC2)n1 97604877 343702644 /nfs/dbraw/zinc/70/26/44/343702644.db2.gz UQUHNGVCIJYAFJ-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN NC[C@H](F)CCc1ccccc1 107258827 343747856 /nfs/dbraw/zinc/74/78/56/343747856.db2.gz ABUHIRMIHPJFNL-SNVBAGLBSA-N 0 3 167.227 1.916 20 0 ADADHN CC[C@H](C)NCc1ccn(C)n1 112337696 343754791 /nfs/dbraw/zinc/75/47/91/343754791.db2.gz BDTGYDGELDVTMX-QMMMGPOBSA-N 0 3 167.256 1.308 20 0 ADADHN Cn1ccc(CNCC2CCC2)n1 112343521 343755377 /nfs/dbraw/zinc/75/53/77/343755377.db2.gz NKNXYRRIXOKXBX-UHFFFAOYSA-N 0 3 179.267 1.310 20 0 ADADHN CC(C)N1CCO[C@@H](C)C1 118601310 343776214 /nfs/dbraw/zinc/77/62/14/343776214.db2.gz OYTQNPFYXZXRCR-QMMMGPOBSA-N 0 3 143.230 1.116 20 0 ADADHN Cc1nc([C@H]2[C@@H](N)CCN2C)cs1 126920807 343800466 /nfs/dbraw/zinc/80/04/66/343800466.db2.gz ZAJXRQIWEAEQEL-IONNQARKSA-N 0 3 197.307 1.155 20 0 ADADHN Cc1nc([C@@H]2[C@@H](N)CCN2C)cs1 126920560 343800479 /nfs/dbraw/zinc/80/04/79/343800479.db2.gz ZAJXRQIWEAEQEL-CBAPKCEASA-N 0 3 197.307 1.155 20 0 ADADHN Cc1ccoc1CN[C@@H](C)CCO 126926341 343800487 /nfs/dbraw/zinc/80/04/87/343800487.db2.gz CEQYVOCISYAYLD-VIFPVBQESA-N 0 3 183.251 1.449 20 0 ADADHN CCN1CC[C@@H](N)[C@@H]1c1cscn1 126931425 343800503 /nfs/dbraw/zinc/80/05/03/343800503.db2.gz BOXPIJDIBJGTIP-VXNVDRBHSA-N 0 3 197.307 1.237 20 0 ADADHN CCN1CC[C@H](N)[C@@H]1c1cscn1 126931194 343800509 /nfs/dbraw/zinc/80/05/09/343800509.db2.gz BOXPIJDIBJGTIP-IONNQARKSA-N 0 3 197.307 1.237 20 0 ADADHN CSC[C@@H](C)NCc1cccnc1 124974161 343788307 /nfs/dbraw/zinc/78/83/07/343788307.db2.gz TZFTXXYWYMKYBO-SECBINFHSA-N 0 3 196.319 1.923 20 0 ADADHN CN(Cc1cccnc1)C(C)(C)CO 125144015 343789643 /nfs/dbraw/zinc/78/96/43/343789643.db2.gz KIWFWRBIFRGHTA-UHFFFAOYSA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@H](CCO)NCc1cccnc1 125792951 343792565 /nfs/dbraw/zinc/79/25/65/343792565.db2.gz GCENFSKFXUYIEY-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN Cc1ccoc1CNC[C@H](C)N(C)C 126768841 343797161 /nfs/dbraw/zinc/79/71/61/343797161.db2.gz UXICDZULDQMDKH-JTQLQIEISA-N 0 3 196.294 1.628 20 0 ADADHN C[C@@H](NCc1ccco1)[C@@H]1CCOC1 127012195 343802728 /nfs/dbraw/zinc/80/27/28/343802728.db2.gz MEAGTCKVNSKBOW-NXEZZACHSA-N 0 3 195.262 1.794 20 0 ADADHN CN(c1ccnc(CO)c1)C1CCC1 127692849 343817202 /nfs/dbraw/zinc/81/72/02/343817202.db2.gz AELHPBDHYNOZJW-UHFFFAOYSA-N 0 3 192.262 1.563 20 0 ADADHN Cc1ccoc1CN1CCC(O)CC1 128064236 343824315 /nfs/dbraw/zinc/82/43/15/343824315.db2.gz JOKJALRUGWCEKV-UHFFFAOYSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccoc1CN1CC[C@H](O)C1 128167373 343825838 /nfs/dbraw/zinc/82/58/38/343825838.db2.gz KXVIIKGFQNFVTO-VIFPVBQESA-N 0 3 181.235 1.155 20 0 ADADHN Cc1cc(N[C@@H](C)CN(C)C)ncn1 130615460 343871005 /nfs/dbraw/zinc/87/10/05/343871005.db2.gz MCWAMBANCCFAGI-VIFPVBQESA-N 0 3 194.282 1.147 20 0 ADADHN Cc1nccc(N[C@@H](C)CN(C)C)n1 130606501 343871009 /nfs/dbraw/zinc/87/10/09/343871009.db2.gz RXYCMPCLCQAMRY-QMMMGPOBSA-N 0 3 194.282 1.147 20 0 ADADHN C[C@@H](CN(C)C)Nc1nccs1 130635789 343871525 /nfs/dbraw/zinc/87/15/25/343871525.db2.gz FTYNGYLWPLPDJY-ZETCQYMHSA-N 0 3 185.296 1.505 20 0 ADADHN C[C@@H](NC1CC1)c1cncs1 131902310 343890793 /nfs/dbraw/zinc/89/07/93/343890793.db2.gz GKAQHPUOPHAPDE-ZCFIWIBFSA-N 0 3 168.265 1.956 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1cscn1 132638256 343901918 /nfs/dbraw/zinc/90/19/18/343901918.db2.gz WWEOITTZNZQIQY-SFYZADRCSA-N 0 3 182.292 1.889 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1cscn1 132638034 343901920 /nfs/dbraw/zinc/90/19/20/343901920.db2.gz WWEOITTZNZQIQY-JGVFFNPUSA-N 0 3 182.292 1.889 20 0 ADADHN C1=C(CN2CCCOCC2)COCC1 335910974 166071126 /nfs/dbraw/zinc/07/11/26/166071126.db2.gz OTWPPWUZMHOEBE-UHFFFAOYSA-N 0 3 197.278 1.055 20 0 ADADHN C1=C(CN2CCSCC2)COCC1 307685516 166072380 /nfs/dbraw/zinc/07/23/80/166072380.db2.gz YZCWWHQOSZVSFJ-UHFFFAOYSA-N 0 3 199.319 1.382 20 0 ADADHN C1=CC[C@H](NCc2ncc[nH]2)CC1 80122205 166075305 /nfs/dbraw/zinc/07/53/05/166075305.db2.gz WTYUJHFMCPCXSR-VIFPVBQESA-N 0 3 177.251 1.608 20 0 ADADHN C1=CC[C@@H](CNCc2ncc[nH]2)CC1 45629340 166075497 /nfs/dbraw/zinc/07/54/97/166075497.db2.gz DSJCCPUEOFOVJB-SNVBAGLBSA-N 0 3 191.278 1.856 20 0 ADADHN C1=CC[C@@H](CNCc2cc[nH]n2)CC1 44375383 166075506 /nfs/dbraw/zinc/07/55/06/166075506.db2.gz FDVDGJIHOKODIP-SNVBAGLBSA-N 0 3 191.278 1.856 20 0 ADADHN C1=CC[C@H](CNCc2cc[nH]n2)CC1 44375379 166076192 /nfs/dbraw/zinc/07/61/92/166076192.db2.gz FDVDGJIHOKODIP-JTQLQIEISA-N 0 3 191.278 1.856 20 0 ADADHN C1=CC[C@@H](NCc2ncc[nH]2)CC1 80122211 166076560 /nfs/dbraw/zinc/07/65/60/166076560.db2.gz WTYUJHFMCPCXSR-SECBINFHSA-N 0 3 177.251 1.608 20 0 ADADHN C1=CC[C@H](CNCc2ncc[nH]2)CC1 45629339 166076696 /nfs/dbraw/zinc/07/66/96/166076696.db2.gz DSJCCPUEOFOVJB-JTQLQIEISA-N 0 3 191.278 1.856 20 0 ADADHN C1CC(CN2CCOCC2)C1 307142648 166083396 /nfs/dbraw/zinc/08/33/96/166083396.db2.gz JYNWNJPMDHFAGO-UHFFFAOYSA-N 0 3 155.241 1.119 20 0 ADADHN C1CC(CN2C[C@@H]3CC[C@H](C2)O3)C1 306269325 166083887 /nfs/dbraw/zinc/08/38/87/166083887.db2.gz SMGMWSJAQKGAPU-PHIMTYICSA-N 0 3 181.279 1.650 20 0 ADADHN C1CC(CN2CCOC[C@H]2C2CC2)C1 334358673 166083906 /nfs/dbraw/zinc/08/39/06/166083906.db2.gz TXFFCSRLQQVOQN-LBPRGKRZSA-N 0 3 195.306 1.897 20 0 ADADHN C1CC(N2CCN(CC3CC3)CC2)C1 336555135 166084149 /nfs/dbraw/zinc/08/41/49/166084149.db2.gz BGNPIPDUUNOIPB-UHFFFAOYSA-N 0 3 194.322 1.567 20 0 ADADHN C1CC(CN2CCOC[C@@H]2C2CC2)C1 334358672 166084366 /nfs/dbraw/zinc/08/43/66/166084366.db2.gz TXFFCSRLQQVOQN-GFCCVEGCSA-N 0 3 195.306 1.897 20 0 ADADHN C1CC(CN2CCOCC23CC3)C1 306212238 166084385 /nfs/dbraw/zinc/08/43/85/166084385.db2.gz KJNBYULGTHCBIF-UHFFFAOYSA-N 0 3 181.279 1.651 20 0 ADADHN C1CC1CCN1C[C@@H]2CC[C@H](C1)O2 335026030 166085045 /nfs/dbraw/zinc/08/50/45/166085045.db2.gz VNNNIGUQUUFIJM-PHIMTYICSA-N 0 3 181.279 1.650 20 0 ADADHN C1CC2(C1)CN(CC1CC1)CCO2 307690755 166085952 /nfs/dbraw/zinc/08/59/52/166085952.db2.gz IDQAEULQMXPASW-UHFFFAOYSA-N 0 3 181.279 1.651 20 0 ADADHN C1CC([C@@H]2CN(CC3CC3)CCO2)C1 334820126 166086045 /nfs/dbraw/zinc/08/60/45/166086045.db2.gz UTZCPHLUNOEJSZ-LBPRGKRZSA-N 0 3 195.306 1.897 20 0 ADADHN C1CC([C@H]2CN(CC3CC3)CCO2)C1 334820123 166086164 /nfs/dbraw/zinc/08/61/64/166086164.db2.gz UTZCPHLUNOEJSZ-GFCCVEGCSA-N 0 3 195.306 1.897 20 0 ADADHN C1CC2(C1)COCCN2CC1CC1 335520156 166086341 /nfs/dbraw/zinc/08/63/41/166086341.db2.gz YRCKKURXDURTFL-UHFFFAOYSA-N 0 3 181.279 1.651 20 0 ADADHN C1CCC(CN2CCOCC2)C1 38957028 166088021 /nfs/dbraw/zinc/08/80/21/166088021.db2.gz OGHYLQFCRHRBDW-UHFFFAOYSA-N 0 3 169.268 1.509 20 0 ADADHN C1CC[C@@H](CN2CCCOCC2)OC1 336555464 166091804 /nfs/dbraw/zinc/09/18/04/166091804.db2.gz HTRJJNLCQKBLGL-NSHDSACASA-N 0 3 199.294 1.278 20 0 ADADHN C1CCC[C@H]2N[C@@H]2CC1 5413455 166091900 /nfs/dbraw/zinc/09/19/00/166091900.db2.gz XJWSHYQHALGTIV-HTQZYQBOSA-N 0 3 125.215 1.681 20 0 in-vitro ADADHN C1CCC[C@@H]2N[C@H]2CC1 5413459 166092119 /nfs/dbraw/zinc/09/21/19/166092119.db2.gz XJWSHYQHALGTIV-YUMQZZPRSA-N 0 3 125.215 1.681 20 0 in-vitro ADADHN C1CCN2CCN(CC3CC3)C[C@H]2C1 227349801 166092313 /nfs/dbraw/zinc/09/23/13/166092313.db2.gz YVADMADTHLPXGP-GFCCVEGCSA-N 0 3 194.322 1.567 20 0 ADADHN C1CCC[C@H]2N[C@H]2CC1 5413454 166092534 /nfs/dbraw/zinc/09/25/34/166092534.db2.gz XJWSHYQHALGTIV-OCAPTIKFSA-N 0 3 125.215 1.681 20 0 in-vitro ADADHN C1CCc2c(nc3n2CCN3)C1 72417361 166093036 /nfs/dbraw/zinc/09/30/36/166093036.db2.gz UFRMYCSRZNDYGE-UHFFFAOYSA-N 0 3 163.224 1.187 20 0 ADADHN C1CC[C@H](CN2CCCOCC2)OC1 336555463 166093075 /nfs/dbraw/zinc/09/30/75/166093075.db2.gz HTRJJNLCQKBLGL-LLVKDONJSA-N 0 3 199.294 1.278 20 0 ADADHN C1CCc2c(nc3n2CCCN3)C1 72417358 166094439 /nfs/dbraw/zinc/09/44/39/166094439.db2.gz WKGXGEOWIHUSPV-UHFFFAOYSA-N 0 3 177.251 1.578 20 0 ADADHN C1CN(CCC2CC2)C2(CC2)CO1 306801919 166095320 /nfs/dbraw/zinc/09/53/20/166095320.db2.gz SFALTDMZWZMXQK-UHFFFAOYSA-N 0 3 181.279 1.651 20 0 ADADHN C1CN(CC23CCC(CC2)C3)CCO1 335491722 166095327 /nfs/dbraw/zinc/09/53/27/166095327.db2.gz FPPPZYNKMPWDJY-UHFFFAOYSA-N 0 3 195.306 1.899 20 0 ADADHN C1CN(CC2CC2)[C@@H](C2CC2)CO1 306480660 166095660 /nfs/dbraw/zinc/09/56/60/166095660.db2.gz KTMKCDCYMXGHTP-LLVKDONJSA-N 0 3 181.279 1.507 20 0 ADADHN C1CN(CC2CC2)[C@H](C2CC2)CO1 306480669 166096250 /nfs/dbraw/zinc/09/62/50/166096250.db2.gz KTMKCDCYMXGHTP-NSHDSACASA-N 0 3 181.279 1.507 20 0 ADADHN C1CO[C@H](CN2CCSCC2)C1 334270365 166099662 /nfs/dbraw/zinc/09/96/62/166099662.db2.gz SEOBQAQPBAZXJR-VIFPVBQESA-N 0 3 187.308 1.214 20 0 ADADHN C1CO[C@@H](CN2CCSCC2)C1 306241222 166101589 /nfs/dbraw/zinc/10/15/89/166101589.db2.gz SEOBQAQPBAZXJR-SECBINFHSA-N 0 3 187.308 1.214 20 0 ADADHN C1C[C@@H]2OCCN(CC3CC3)[C@H]2C1 336630433 166106117 /nfs/dbraw/zinc/10/61/17/166106117.db2.gz FSPNYQXGVHZFLO-QWRGUYRKSA-N 0 3 181.279 1.650 20 0 ADADHN C1C[C@@H]2OCCN(CC3CC3)[C@@H]2C1 307235790 166107242 /nfs/dbraw/zinc/10/72/42/166107242.db2.gz FSPNYQXGVHZFLO-MNOVXSKESA-N 0 3 181.279 1.650 20 0 ADADHN C1C[C@H]2[C@@H](C1)OCCN2CC1CC1 336630434 166108540 /nfs/dbraw/zinc/10/85/40/166108540.db2.gz FSPNYQXGVHZFLO-WDEREUQCSA-N 0 3 181.279 1.650 20 0 ADADHN C1C[C@H]2OCCN(CC3CC3)[C@@H]2C1 336630432 166109997 /nfs/dbraw/zinc/10/99/97/166109997.db2.gz FSPNYQXGVHZFLO-GHMZBOCLSA-N 0 3 181.279 1.650 20 0 ADADHN C=CC(=O)NC[C@@H](CC(C)C)N(C)C 40801044 166156215 /nfs/dbraw/zinc/15/62/15/166156215.db2.gz BHBORYPAKDQWKS-SNVBAGLBSA-N 0 3 198.310 1.265 20 0 ADADHN C=CC(=O)NC[C@H](CC(C)C)N(C)C 40801040 166157006 /nfs/dbraw/zinc/15/70/06/166157006.db2.gz BHBORYPAKDQWKS-JTQLQIEISA-N 0 3 198.310 1.265 20 0 ADADHN CC1(C)CN(c2nccs2)CCN1 133194808 343913388 /nfs/dbraw/zinc/91/33/88/343913388.db2.gz GPLVCFIPHJKVNG-UHFFFAOYSA-N 0 3 197.307 1.331 20 0 ADADHN C=Cn1cc(CN2CCC[C@H]2C)cn1 335833283 166223870 /nfs/dbraw/zinc/22/38/70/166223870.db2.gz QVWZZSKAJMRLKF-SNVBAGLBSA-N 0 3 191.278 1.968 20 0 ADADHN C=Cn1cc(CN2CC[C@@H](C)C2)cn1 336251978 166224361 /nfs/dbraw/zinc/22/43/61/166224361.db2.gz VVMULIVJCHHBGF-SNVBAGLBSA-N 0 3 191.278 1.825 20 0 ADADHN C=Cn1cc(CN2CC[C@H](C)C2)cn1 336251976 166224473 /nfs/dbraw/zinc/22/44/73/166224473.db2.gz VVMULIVJCHHBGF-JTQLQIEISA-N 0 3 191.278 1.825 20 0 ADADHN C=Cn1cc(CN2CCCCC2)cn1 335803259 166224595 /nfs/dbraw/zinc/22/45/95/166224595.db2.gz ZUWHBNUSZUQWNS-UHFFFAOYSA-N 0 3 191.278 1.970 20 0 ADADHN C=Cn1cc(CN2CCCC2)cn1 306328882 166224741 /nfs/dbraw/zinc/22/47/41/166224741.db2.gz NZJXRYPBGJJLCN-UHFFFAOYSA-N 0 3 177.251 1.579 20 0 ADADHN C=Cn1cc(CN2CCC[C@@H]2C)cn1 335833282 166224843 /nfs/dbraw/zinc/22/48/43/166224843.db2.gz QVWZZSKAJMRLKF-JTQLQIEISA-N 0 3 191.278 1.968 20 0 ADADHN CC(=O)CN1CCC[C@@H](C)[C@H]1C 50565943 166243648 /nfs/dbraw/zinc/24/36/48/166243648.db2.gz RYDCBPLOAVMNCQ-PSASIEDQSA-N 0 3 169.268 1.696 20 0 ADADHN CC(=O)CN1CCC[C@@H]1C 37911683 166243772 /nfs/dbraw/zinc/24/37/72/166243772.db2.gz FQGNSGACCJODOW-ZETCQYMHSA-N 0 3 141.214 1.060 20 0 ADADHN CC(=O)CN1[C@@H](C)CCC[C@H]1C 34989085 166243925 /nfs/dbraw/zinc/24/39/25/166243925.db2.gz RBSFAFIBIZVMOV-DTORHVGOSA-N 0 3 169.268 1.838 20 0 ADADHN CC(=O)CN1[C@@H](C)CCC[C@@H]1C 34989087 166243998 /nfs/dbraw/zinc/24/39/98/166243998.db2.gz RBSFAFIBIZVMOV-IUCAKERBSA-N 0 3 169.268 1.838 20 0 ADADHN CC(=O)CN(C)[C@H](C)C1CC1 37338764 166244111 /nfs/dbraw/zinc/24/41/11/166244111.db2.gz YZSFCEMSEFEULF-MRVPVSSYSA-N 0 3 155.241 1.306 20 0 ADADHN CC(=O)CN1CCC[C@H](C)[C@H]1C 50565944 166244148 /nfs/dbraw/zinc/24/41/48/166244148.db2.gz RYDCBPLOAVMNCQ-WCBMZHEXSA-N 0 3 169.268 1.696 20 0 ADADHN CC(=O)CN1CCCCCCC1 34989883 166244180 /nfs/dbraw/zinc/24/41/80/166244180.db2.gz XKOKIVHZPVBDIN-UHFFFAOYSA-N 0 3 169.268 1.842 20 0 ADADHN CC(=O)CN(C)[C@@H](C)C1CC1 37338762 166244289 /nfs/dbraw/zinc/24/42/89/166244289.db2.gz YZSFCEMSEFEULF-QMMMGPOBSA-N 0 3 155.241 1.306 20 0 ADADHN CC(=O)CN(C)[C@H](C)C(C)C 37338989 166244526 /nfs/dbraw/zinc/24/45/26/166244526.db2.gz YOBXOPAJGGWXQD-SECBINFHSA-N 0 3 157.257 1.552 20 0 ADADHN CC(=O)CN1CCC[C@H]1C 37911682 166244831 /nfs/dbraw/zinc/24/48/31/166244831.db2.gz FQGNSGACCJODOW-SSDOTTSWSA-N 0 3 141.214 1.060 20 0 ADADHN CC(=O)CN(CC1CC1)C(C)C 42588052 166244841 /nfs/dbraw/zinc/24/48/41/166244841.db2.gz JULQIQOOWGLRKT-UHFFFAOYSA-N 0 3 169.268 1.696 20 0 ADADHN CC(=O)CN(C)[C@H](C)C(C)(C)C 42774131 166244980 /nfs/dbraw/zinc/24/49/80/166244980.db2.gz KNDDAVOAUCUZQH-SECBINFHSA-N 0 3 171.284 1.942 20 0 ADADHN CC(=O)CN1[C@H](C)CCC[C@H]1C 34989089 166245033 /nfs/dbraw/zinc/24/50/33/166245033.db2.gz RBSFAFIBIZVMOV-RKDXNWHRSA-N 0 3 169.268 1.838 20 0 ADADHN CC(=O)CN(C)[C@@H](C)C(C)(C)C 42774127 166245199 /nfs/dbraw/zinc/24/51/99/166245199.db2.gz KNDDAVOAUCUZQH-VIFPVBQESA-N 0 3 171.284 1.942 20 0 ADADHN CC(=O)CN(C)[C@@H](C)C(C)C 37338990 166245370 /nfs/dbraw/zinc/24/53/70/166245370.db2.gz YOBXOPAJGGWXQD-VIFPVBQESA-N 0 3 157.257 1.552 20 0 ADADHN CC(=O)N(C)[C@@H](C)C1CCN(C)CC1 336403658 166251355 /nfs/dbraw/zinc/25/13/55/166251355.db2.gz LHPIMTNDUYMVBR-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN CC(=O)N(C)[C@H](C)C1CCN(C)CC1 336403657 166252638 /nfs/dbraw/zinc/25/26/38/166252638.db2.gz LHPIMTNDUYMVBR-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN CC(=O)N1Cc2ccccc2[C@H](N)C1 82883116 166265964 /nfs/dbraw/zinc/26/59/64/166265964.db2.gz NUALDJFHRDJSNT-LLVKDONJSA-N 0 3 190.246 1.049 20 0 ADADHN CC(=O)N1Cc2ccccc2[C@@H](N)C1 82883118 166267438 /nfs/dbraw/zinc/26/74/38/166267438.db2.gz NUALDJFHRDJSNT-NSHDSACASA-N 0 3 190.246 1.049 20 0 ADADHN CC(=O)NC[C@@H]1N(C)CCCC1(C)C 335688159 166274073 /nfs/dbraw/zinc/27/40/73/166274073.db2.gz KZVIWWWXNDCXDI-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(=O)NC[C@@H]1CCCCN1C1CC1 335403882 166274317 /nfs/dbraw/zinc/27/43/17/166274317.db2.gz AKTURWCYUCQWAR-NSHDSACASA-N 0 3 196.294 1.139 20 0 ADADHN CC(=O)NC[C@H]1N(C)CCCC1(C)C 335688160 166274427 /nfs/dbraw/zinc/27/44/27/166274427.db2.gz KZVIWWWXNDCXDI-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(=O)NC[C@@H](C)N1CCC(C)CC1 36077699 166275016 /nfs/dbraw/zinc/27/50/16/166275016.db2.gz WYXTXGADWAYQPJ-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(=O)NC[C@H]1CCCCN1C1CC1 335403881 166275295 /nfs/dbraw/zinc/27/52/95/166275295.db2.gz AKTURWCYUCQWAR-LLVKDONJSA-N 0 3 196.294 1.139 20 0 ADADHN CC(=O)NC[C@H](C)N1CCC(C)CC1 36077698 166275480 /nfs/dbraw/zinc/27/54/80/166275480.db2.gz WYXTXGADWAYQPJ-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(=O)N[C@@H]1CCN(CC=C(C)C)C1 335561751 166279798 /nfs/dbraw/zinc/27/97/98/166279798.db2.gz JGZJUFAWXIIYGY-LLVKDONJSA-N 0 3 196.294 1.163 20 0 ADADHN CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 13357473 166280036 /nfs/dbraw/zinc/28/00/36/166280036.db2.gz ZFOJLLQHJIXKHO-GHMZBOCLSA-N 0 3 196.294 1.139 20 0 ADADHN CC(=O)N[C@H]1CCN(CC=C(C)C)C1 335561752 166281675 /nfs/dbraw/zinc/28/16/75/166281675.db2.gz JGZJUFAWXIIYGY-NSHDSACASA-N 0 3 196.294 1.163 20 0 ADADHN CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 14420481 166282259 /nfs/dbraw/zinc/28/22/59/166282259.db2.gz ZFOJLLQHJIXKHO-QWRGUYRKSA-N 0 3 196.294 1.139 20 0 ADADHN CC(=O)c1cccc(OC2CNC2)c1 261506895 166327538 /nfs/dbraw/zinc/32/75/38/166327538.db2.gz CEDVXTFKJAKINX-UHFFFAOYSA-N 0 3 191.230 1.240 20 0 ADADHN CC(C)(C)C1=CCN(CCO)CC1 334193734 166347638 /nfs/dbraw/zinc/34/76/38/166347638.db2.gz SLARNNQQVYJNSM-UHFFFAOYSA-N 0 3 183.295 1.657 20 0 ADADHN CC(C)(C)CC(C)(C)NC(=O)CN 35222866 166347676 /nfs/dbraw/zinc/34/76/76/166347676.db2.gz OFDODFFCAXPLKY-UHFFFAOYSA-N 0 3 186.299 1.276 20 0 ADADHN CC(C)(C)CCNC(=O)C(C)(C)N 83341190 166351074 /nfs/dbraw/zinc/35/10/74/166351074.db2.gz AQEJIWWCZMZXAM-UHFFFAOYSA-N 0 3 186.299 1.276 20 0 ADADHN CC(C)(C)CCNC(=O)C1(N)CC1 83340936 166351911 /nfs/dbraw/zinc/35/19/11/166351911.db2.gz KMZTUPUFIXHWKY-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)(C)CC[C@H]([NH3+])c1cnn[n-]1 87600145 166352054 /nfs/dbraw/zinc/35/20/54/166352054.db2.gz JOYDGIQDIGHICR-ZETCQYMHSA-N 0 3 182.271 1.631 20 0 ADADHN CC(C)(C)CC[C@@H]([NH3+])c1cnn[n-]1 87600147 166352394 /nfs/dbraw/zinc/35/23/94/166352394.db2.gz JOYDGIQDIGHICR-SSDOTTSWSA-N 0 3 182.271 1.631 20 0 ADADHN CC(C)(C)CNCc1cc[nH]n1 40492879 166353089 /nfs/dbraw/zinc/35/30/89/166353089.db2.gz VGNINPUCLRCEIA-UHFFFAOYSA-N 0 3 167.256 1.545 20 0 ADADHN CC(C)(C)CNC(=O)[C@@H]1CCCCN1 40494295 166354049 /nfs/dbraw/zinc/35/40/49/166354049.db2.gz UGFGFZWVKHZMGX-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CC(C)(C)CNC(=O)[C@H]1CCCCN1 40494298 166355050 /nfs/dbraw/zinc/35/50/50/166355050.db2.gz UGFGFZWVKHZMGX-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CC(C)(C)CNCc1ncc[nH]1 49715636 166355189 /nfs/dbraw/zinc/35/51/89/166355189.db2.gz ASXYMPIIERQYAJ-UHFFFAOYSA-N 0 3 167.256 1.545 20 0 ADADHN CC(C)(C)CNC(=O)C1(N)CCCC1 40494450 166355202 /nfs/dbraw/zinc/35/52/02/166355202.db2.gz ZEFJHYHAINZXAS-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CC(C)(C)NCc1ccc(CO)o1 81546707 166366050 /nfs/dbraw/zinc/36/60/50/166366050.db2.gz WTCYDJXUFWZUAE-UHFFFAOYSA-N 0 3 183.251 1.660 20 0 ADADHN CC(C)(C)NCc1c[nH]cn1 54762819 166366640 /nfs/dbraw/zinc/36/66/40/166366640.db2.gz NQVOAUXPODLJMI-UHFFFAOYSA-N 0 3 153.229 1.298 20 0 ADADHN CC(C)(C)Oc1ccnc(C(=N)N)c1 61814579 166375038 /nfs/dbraw/zinc/37/50/38/166375038.db2.gz ZVHBYPSVLDDNIX-UHFFFAOYSA-N 0 3 193.250 1.543 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)NCC1CCC1 40459604 166378943 /nfs/dbraw/zinc/37/89/43/166378943.db2.gz XTCQVDLIUHVBJN-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)N1CCCCC1 40458611 166378948 /nfs/dbraw/zinc/37/89/48/166378948.db2.gz VUVMUUMQNIGEMO-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)NC1CCCC1 40457803 166379114 /nfs/dbraw/zinc/37/91/14/166379114.db2.gz CBIRNINIDNJBAN-SECBINFHSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)NC1CCC1 52210838 166379378 /nfs/dbraw/zinc/37/93/78/166379378.db2.gz OXMJXLRXHLLNCV-MRVPVSSYSA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)(C)c1cc(CN)ncn1 82403375 166384868 /nfs/dbraw/zinc/38/48/68/166384868.db2.gz ADUCFWBLGSVWDR-UHFFFAOYSA-N 0 3 165.240 1.233 20 0 ADADHN CC(C)(C)c1ccnc(CN)c1 117495676 166386147 /nfs/dbraw/zinc/38/61/47/166386147.db2.gz MSRNBXHJFPAVFJ-UHFFFAOYSA-N 0 3 164.252 1.838 20 0 ADADHN CC(C)(C)c1noc([C@H]2CCCN2)n1 21057220 166388588 /nfs/dbraw/zinc/38/85/88/166388588.db2.gz RFWHGOLSILCOGP-SSDOTTSWSA-N 0 3 195.266 1.792 20 0 ADADHN CC(C)(C)c1noc(C2(C)CNC2)n1 307488784 166389656 /nfs/dbraw/zinc/38/96/56/166389656.db2.gz DQCWHLYMCWQPPA-UHFFFAOYSA-N 0 3 195.266 1.228 20 0 ADADHN CC(C)(C)c1noc([C@@H]2CCCN2)n1 21057217 166389781 /nfs/dbraw/zinc/38/97/81/166389781.db2.gz RFWHGOLSILCOGP-ZETCQYMHSA-N 0 3 195.266 1.792 20 0 ADADHN CC(C)(C)c1nccc(CN)n1 54791094 166390322 /nfs/dbraw/zinc/39/03/22/166390322.db2.gz SDKOBYLTDBPJJR-UHFFFAOYSA-N 0 3 165.240 1.233 20 0 ADADHN CC(C)(C)n1cc(CNC2CC2)cn1 37183858 166392114 /nfs/dbraw/zinc/39/21/14/166392114.db2.gz MVPSWAYGTYGNPB-UHFFFAOYSA-N 0 3 193.294 1.890 20 0 ADADHN CC(C)(CO)NCc1cccc(O)c1 20196736 166396302 /nfs/dbraw/zinc/39/63/02/166396302.db2.gz YBLAXEPVGSWDQL-UHFFFAOYSA-N 0 3 195.262 1.253 20 0 ADADHN CC(C)(N)C(=O)NC1CCCCCC1 19672494 166398328 /nfs/dbraw/zinc/39/83/28/166398328.db2.gz GEYJKUNXPDDYPQ-UHFFFAOYSA-N 0 3 198.310 1.563 20 0 ADADHN CC(C)(N)C(=O)N1CCC2(CCC2)C1 307440833 166398420 /nfs/dbraw/zinc/39/84/20/166398420.db2.gz YGUGDMUOSRUHBU-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CC(C)(N)C(=O)Nc1cccc(O)c1 40924870 166398835 /nfs/dbraw/zinc/39/88/35/166398835.db2.gz FSYJGJLBGVNYGY-UHFFFAOYSA-N 0 3 194.234 1.068 20 0 ADADHN CC(C)(N)C(=O)Nc1ccccc1F 19672563 166399027 /nfs/dbraw/zinc/39/90/27/166399027.db2.gz AZUMMDKYOWTCON-UHFFFAOYSA-N 0 3 196.225 1.502 20 0 ADADHN CC(C)(N)C(=O)NC[C@H]1CC=CCC1 45647254 166399275 /nfs/dbraw/zinc/39/92/75/166399275.db2.gz AICJRAPDIDPOEE-VIFPVBQESA-N 0 3 196.294 1.196 20 0 ADADHN CC(C)(N)C(=O)NC(C1CC1)C1CC1 42372747 166399315 /nfs/dbraw/zinc/39/93/15/166399315.db2.gz OTIONHCCWNBJOU-UHFFFAOYSA-N 0 3 196.294 1.029 20 0 ADADHN CC(C)(CN)c1nc(C2CC2)no1 133745966 343925624 /nfs/dbraw/zinc/92/56/24/343925624.db2.gz BUWQVXOGRPIWNT-UHFFFAOYSA-N 0 3 181.239 1.183 20 0 ADADHN CC(C)(N)C(=O)NCc1cccs1 40920527 166399893 /nfs/dbraw/zinc/39/98/93/166399893.db2.gz RXBZXMUUMCNHLO-UHFFFAOYSA-N 0 3 198.291 1.102 20 0 ADADHN CC(C)(N)C(=O)N[C@@H]1C[C@H]1C1CCC1 335029351 166399918 /nfs/dbraw/zinc/39/99/18/166399918.db2.gz KLCHKLKBYWRHPA-DTWKUNHWSA-N 0 3 196.294 1.029 20 0 ADADHN CC(C)CCC(=O)N1CCCNCC1 20248667 166435520 /nfs/dbraw/zinc/43/55/20/166435520.db2.gz QVZFQKJRJMXYIH-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)CCNC(=O)CNC(C)C 37389695 166446036 /nfs/dbraw/zinc/44/60/36/166446036.db2.gz NMOIFMVAMOGION-UHFFFAOYSA-N 0 3 186.299 1.147 20 0 ADADHN CC(C)CN(C(=O)[C@H](C)N)C(C)C 37810164 166454495 /nfs/dbraw/zinc/45/44/95/166454495.db2.gz SLXGPJAXQQRCIJ-VIFPVBQESA-N 0 3 186.299 1.227 20 0 ADADHN CC(C)CN(C)C(=O)[C@@H](N)C(C)C 37108606 166456168 /nfs/dbraw/zinc/45/61/68/166456168.db2.gz DOVGJJSQKXBKAX-VIFPVBQESA-N 0 3 186.299 1.084 20 0 ADADHN CC(C)CN1CCNC(=O)[C@@H]1C(C)C 334432379 166464005 /nfs/dbraw/zinc/46/40/05/166464005.db2.gz CHZZWDOMAWYWAL-JTQLQIEISA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)CN1[C@H](C)COC[C@H]1C 336552347 166467479 /nfs/dbraw/zinc/46/74/79/166467479.db2.gz KMICQVCEJIFVFY-NXEZZACHSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)C[C@@H](C)NC(=O)C(C)(C)N 40920598 166483638 /nfs/dbraw/zinc/48/36/38/166483638.db2.gz BJCBWRRQNMSHSX-MRVPVSSYSA-N 0 3 186.299 1.275 20 0 ADADHN CC(C)N(C)CC(=O)N1CCC[C@H]1C 336525433 166510185 /nfs/dbraw/zinc/51/01/85/166510185.db2.gz JTYNAMYKEMJBIC-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)NC(=O)CN1[C@@H](C)CC[C@H]1C 335164785 166530903 /nfs/dbraw/zinc/53/09/03/166530903.db2.gz XBVSKMRDNMANRY-AOOOYVTPSA-N 0 3 198.310 1.384 20 0 ADADHN CC(C)NCC(=O)Nc1ccncc1 37477083 166537013 /nfs/dbraw/zinc/53/70/13/166537013.db2.gz SCHFGTIBUOIZDJ-UHFFFAOYSA-N 0 3 193.250 1.018 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@H]1C=CCCC1 306306871 166576568 /nfs/dbraw/zinc/57/65/68/166576568.db2.gz FORUKXYDUATGRM-VHSXEESVSA-N 0 3 196.294 1.195 20 0 ADADHN CC(C)[C@@H](N)C(=O)N(C)[C@H](C)C1CC1 36785749 166577876 /nfs/dbraw/zinc/57/78/76/166577876.db2.gz DCDZVPAZSYROGI-PSASIEDQSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)n1cc2c(n1)[C@H](N)CCC2 95829400 166651007 /nfs/dbraw/zinc/65/10/07/166651007.db2.gz GXNCFAWCECSKLK-SECBINFHSA-N 0 3 179.267 1.800 20 0 in-vitro ADADHN CC1(NCc2ncc[nH]2)CCCC1 49715680 166709397 /nfs/dbraw/zinc/70/93/97/166709397.db2.gz WXGTXZJXHFSVDL-UHFFFAOYSA-N 0 3 179.267 1.832 20 0 ADADHN CC1CC(N[C@@H](C)CF)C1 306330808 166742909 /nfs/dbraw/zinc/74/29/09/166742909.db2.gz BVIDJWSAXNABHL-WTIBDHCWSA-N 0 3 145.221 1.733 20 0 ADADHN CC1CCC(C)(NC(=O)[C@H](C)N)CC1 307326101 166744952 /nfs/dbraw/zinc/74/49/52/166744952.db2.gz TWSFEFIGKIYENZ-YUCVTWSNSA-N 0 3 198.310 1.419 20 0 ADADHN CC1CCN(C(=O)CNC(C)C)CC1 37389691 166747817 /nfs/dbraw/zinc/74/78/17/166747817.db2.gz QFRKFIAWPHHGGO-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCC(=O)NC[C@@H](C)N1CCCCC1 36077308 166765124 /nfs/dbraw/zinc/76/51/24/166765124.db2.gz ZNCFVFSPHAXZHY-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCC(CC)NC(=O)[C@H](N)C(C)C 19513291 166795079 /nfs/dbraw/zinc/79/50/79/166795079.db2.gz RSDAGJLYOWQZLN-SECBINFHSA-N 0 3 186.299 1.275 20 0 ADADHN CCC(CC)NC(=O)[C@@H]1CCCCN1 19408828 166795771 /nfs/dbraw/zinc/79/57/71/166795771.db2.gz VVOFFNUABGUZGB-JTQLQIEISA-N 0 3 198.310 1.433 20 0 ADADHN CCC1CCN(C(=O)[C@@H](N)CC)CC1 37822559 166813706 /nfs/dbraw/zinc/81/37/06/166813706.db2.gz VDACWBGEVBRLNM-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CCCC(=O)N1CCN(C)CC[C@@H]1C 336436463 166820928 /nfs/dbraw/zinc/82/09/28/166820928.db2.gz SZCFIQLMAPRCCJ-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCCC[C@@H](CC)CNC(=O)CN 40430766 166915682 /nfs/dbraw/zinc/91/56/82/166915682.db2.gz GCQAKQBKDFRISR-SECBINFHSA-N 0 3 186.299 1.278 20 0 ADADHN CCCC[C@@H](N)C(=O)N[C@H]1CC1(C)C 45136565 166916293 /nfs/dbraw/zinc/91/62/93/166916293.db2.gz FAVMPDAYOMPLSM-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@@H](N)C(=O)N1CC[C@H](C)C1 40724791 166918192 /nfs/dbraw/zinc/91/81/92/166918192.db2.gz CNZGABIFUKJDCA-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CCCC[C@H](N)C(=O)NCC(C)C 37480388 166927481 /nfs/dbraw/zinc/92/74/81/166927481.db2.gz YALKGNZJJTVQJM-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN CCCCn1cc(CNC)cn1 40932648 166934737 /nfs/dbraw/zinc/93/47/37/166934737.db2.gz CLHVXJBBTWPCLS-UHFFFAOYSA-N 0 3 167.256 1.403 20 0 ADADHN CCCN(CC1CC1)C(=O)C(C)(C)N 40920945 166950601 /nfs/dbraw/zinc/95/06/01/166950601.db2.gz DYXYDPHMNABMBN-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CCCN1C[C@@H]2CCC[C@H](C1)C2=O 32629158 166972699 /nfs/dbraw/zinc/97/26/99/166972699.db2.gz XEQFDHSBOUPCSI-AOOOYVTPSA-N 0 3 181.279 1.697 20 0 ADADHN CCCNCc1ccc(CO)o1 81546708 166989739 /nfs/dbraw/zinc/98/97/39/166989739.db2.gz LYDFTICEYMZIBG-UHFFFAOYSA-N 0 3 169.224 1.272 20 0 ADADHN CC(C)CN1CCCC2(C1)OCCO2 133701032 343925001 /nfs/dbraw/zinc/92/50/01/343925001.db2.gz LDQJRPQBTNJBIQ-UHFFFAOYSA-N 0 3 199.294 1.481 20 0 ADADHN CCCN[C@H](C)c1cncnc1C 54963093 167000337 /nfs/dbraw/zinc/00/03/37/167000337.db2.gz PSUPCUCXZDORHO-MRVPVSSYSA-N 0 3 179.267 1.846 20 0 ADADHN CCCN[C@H](C)c1cnccn1 37469143 167000546 /nfs/dbraw/zinc/00/05/46/167000546.db2.gz BBIGBBYLYXFAEV-MRVPVSSYSA-N 0 3 165.240 1.537 20 0 ADADHN CCCN[C@H]1C[C@H](C)n2ccnc21 306365867 167003327 /nfs/dbraw/zinc/00/33/27/167003327.db2.gz CBKYEVUFZZYPKQ-IUCAKERBSA-N 0 3 179.267 1.889 20 0 ADADHN CCCN[C@H]1CCn2ccnc21 306172329 167003442 /nfs/dbraw/zinc/00/34/42/167003442.db2.gz AZZJFZGEFCBTFV-QMMMGPOBSA-N 0 3 165.240 1.328 20 0 ADADHN CCCOc1ccnc(C(=N)N)c1 61814606 167021379 /nfs/dbraw/zinc/02/13/79/167021379.db2.gz CNYLFZUVNUOAPU-UHFFFAOYSA-N 0 3 179.223 1.154 20 0 ADADHN CCC[C@@H](C)NC(=O)CNC(C)C 37394696 167031480 /nfs/dbraw/zinc/03/14/80/167031480.db2.gz KIMPKKDGKOJWET-SECBINFHSA-N 0 3 186.299 1.289 20 0 ADADHN CCC[C@@H](C)N(C)C(=O)[C@H](N)CC 37507210 167031501 /nfs/dbraw/zinc/03/15/01/167031501.db2.gz URGTYELEADWJLU-RKDXNWHRSA-N 0 3 186.299 1.371 20 0 ADADHN CCC[C@@H](C)NC(=O)C1(N)CCCC1 37479372 167031532 /nfs/dbraw/zinc/03/15/32/167031532.db2.gz BZRLPADSDQETDJ-SECBINFHSA-N 0 3 198.310 1.563 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@H](N)CC 36871088 167032167 /nfs/dbraw/zinc/03/21/67/167032167.db2.gz MBLMMLHAXYDYGQ-HTQZYQBOSA-N 0 3 172.272 1.029 20 0 ADADHN CCC[C@@H](C)N1CCO[C@@H](C)C1 306292918 167032211 /nfs/dbraw/zinc/03/22/11/167032211.db2.gz SZAKNQPECQNQAE-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@@H](N)C(C)C 19481321 167032368 /nfs/dbraw/zinc/03/23/68/167032368.db2.gz JKFVUBLDRMXNRH-BDAKNGLRSA-N 0 3 186.299 1.275 20 0 ADADHN CCC[C@@H](C)NC(=O)CNC1CC1 37395026 167032522 /nfs/dbraw/zinc/03/25/22/167032522.db2.gz DTSPFYRYKAYSQF-MRVPVSSYSA-N 0 3 184.283 1.043 20 0 ADADHN CCC[C@@H](C)N1CCO[C@H](C)C1 306292915 167032750 /nfs/dbraw/zinc/03/27/50/167032750.db2.gz SZAKNQPECQNQAE-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@H]1CCCCN1 19411965 167032941 /nfs/dbraw/zinc/03/29/41/167032941.db2.gz 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/nfs/dbraw/zinc/03/82/15/167038215.db2.gz UEFUOVDZPBGNAP-HTQZYQBOSA-N 0 3 172.272 1.029 20 0 ADADHN CCC[C@@H](CC)NC(=O)[C@H](N)CC 50405402 167039531 /nfs/dbraw/zinc/03/95/31/167039531.db2.gz VHLCTJMWIMHAQI-RKDXNWHRSA-N 0 3 186.299 1.419 20 0 ADADHN CCC[C@@H](CC)NC(=O)C(C)(C)N 50405363 167039692 /nfs/dbraw/zinc/03/96/92/167039692.db2.gz TYXIYLLRMZHMOC-MRVPVSSYSA-N 0 3 186.299 1.419 20 0 ADADHN CCC[C@@H](CC)NC(=O)[C@@H](N)CC 50405407 167039832 /nfs/dbraw/zinc/03/98/32/167039832.db2.gz VHLCTJMWIMHAQI-BDAKNGLRSA-N 0 3 186.299 1.419 20 0 ADADHN CCC[C@@H](N)c1cscn1 82406223 167047033 /nfs/dbraw/zinc/04/70/33/167047033.db2.gz OPCAOYLOBMVPSM-ZCFIWIBFSA-N 0 3 156.254 1.943 20 0 ADADHN CCC[C@@H]1CCCCN1C(=O)[C@H](C)N 212952452 167052032 /nfs/dbraw/zinc/05/20/32/167052032.db2.gz ROJOZXFQHSCWDD-VHSXEESVSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@@H]1CCCCN1C(=O)CN 212970800 167052407 /nfs/dbraw/zinc/05/24/07/167052407.db2.gz SQHQQIBDMPOBQL-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN CCC[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 309021318 167053967 /nfs/dbraw/zinc/05/39/67/167053967.db2.gz XDVAOKWCWZJBGO-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@H]1CN(C(C)C)CCO1 306422637 167053984 /nfs/dbraw/zinc/05/39/84/167053984.db2.gz AOUIVIVKRLNMEQ-SNVBAGLBSA-N 0 3 171.284 1.896 20 0 ADADHN CCC[C@@H]1CCCCN1C(=O)[C@@H](C)N 212952311 167054136 /nfs/dbraw/zinc/05/41/36/167054136.db2.gz ROJOZXFQHSCWDD-NXEZZACHSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@@H]1CCCN(C(=O)[C@H](C)N)C1 309021322 167054246 /nfs/dbraw/zinc/05/42/46/167054246.db2.gz XDVAOKWCWZJBGO-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@H]1[C@H](C)CCCN1C(=O)CN 335606473 167055081 /nfs/dbraw/zinc/05/50/81/167055081.db2.gz OGOOFPFRAXEQQJ-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@H]1[C@@H](C)CCCN1C(=O)CN 335606475 167056287 /nfs/dbraw/zinc/05/62/87/167056287.db2.gz OGOOFPFRAXEQQJ-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@](C)(N)C(=O)N1CC[C@H](C)C1 40724799 167057518 /nfs/dbraw/zinc/05/75/18/167057518.db2.gz KRVXXPFKZYBLBU-GXSJLCMTSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@](C)(N)C(=O)N1CCC[C@H]1C 37912094 167057527 /nfs/dbraw/zinc/05/75/27/167057527.db2.gz IRGHOEGJWNHRDN-MWLCHTKSSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@@](C)(N)C(=O)N1CC[C@@H](C)C1 40724803 167057695 /nfs/dbraw/zinc/05/76/95/167057695.db2.gz KRVXXPFKZYBLBU-MWLCHTKSSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@]1(C)CCCN(C(=O)CN)C1 335603681 167057780 /nfs/dbraw/zinc/05/77/80/167057780.db2.gz AWEUMRWUADMXIV-NSHDSACASA-N 0 3 198.310 1.374 20 0 ADADHN CCC[C@@](C)(N)C(=O)N1CCCC1 37481126 167058007 /nfs/dbraw/zinc/05/80/07/167058007.db2.gz WSOQHUFZAWREAW-SNVBAGLBSA-N 0 3 184.283 1.126 20 0 ADADHN CCC[C@@](C)(N)C(=O)NC1CCCC1 37481164 167058202 /nfs/dbraw/zinc/05/82/02/167058202.db2.gz VWWYKZCRMLONOM-LLVKDONJSA-N 0 3 198.310 1.563 20 0 ADADHN CCC[C@@](C)(N)C(=O)N(C)C(C)C 37481228 167058241 /nfs/dbraw/zinc/05/82/41/167058241.db2.gz LBOKAOAVEIOXOA-SNVBAGLBSA-N 0 3 186.299 1.371 20 0 ADADHN CCC[C@@](C)(N)C(=O)NC(C)C 37481148 167058360 /nfs/dbraw/zinc/05/83/60/167058360.db2.gz XASZJNCRBPUNKK-SECBINFHSA-N 0 3 172.272 1.029 20 0 ADADHN CCC[C@@](C)(N)C(=O)N1CCC[C@@H]1C 37912092 167059219 /nfs/dbraw/zinc/05/92/19/167059219.db2.gz IRGHOEGJWNHRDN-GXSJLCMTSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@@](C)(N)C(=O)N(C)C1CC1 37481342 167059767 /nfs/dbraw/zinc/05/97/67/167059767.db2.gz QUSAKRKPSLNFAQ-SNVBAGLBSA-N 0 3 184.283 1.125 20 0 ADADHN CCC[C@@](C)(N)C(=O)NC1CCC1 52211131 167059909 /nfs/dbraw/zinc/05/99/09/167059909.db2.gz AGPCHJKUPXVHDK-SNVBAGLBSA-N 0 3 184.283 1.173 20 0 ADADHN CCC[C@@](C)(N)C(=O)N1CCCCC1 37481270 167059915 /nfs/dbraw/zinc/05/99/15/167059915.db2.gz SEMAPVUYTZUJDW-LLVKDONJSA-N 0 3 198.310 1.516 20 0 ADADHN CCC[C@H](C)NC(=O)C(C)(C)N 40920054 167066033 /nfs/dbraw/zinc/06/60/33/167066033.db2.gz XXSDZSKVCGZATM-ZETCQYMHSA-N 0 3 172.272 1.029 20 0 ADADHN CCC[C@H](C)N(C)C(=O)[C@H](N)CC 37507211 167067181 /nfs/dbraw/zinc/06/71/81/167067181.db2.gz URGTYELEADWJLU-DTWKUNHWSA-N 0 3 186.299 1.371 20 0 ADADHN CCC[C@H](C)NC(=O)C1(N)CCCC1 37479373 167067983 /nfs/dbraw/zinc/06/79/83/167067983.db2.gz BZRLPADSDQETDJ-VIFPVBQESA-N 0 3 198.310 1.563 20 0 ADADHN CCC[C@H](C)NC(=O)[C@@H](N)C(C)C 19481322 167068014 /nfs/dbraw/zinc/06/80/14/167068014.db2.gz JKFVUBLDRMXNRH-IUCAKERBSA-N 0 3 186.299 1.275 20 0 ADADHN CCC[C@H](C)N1CCO[C@H](C)C1 306292917 167068024 /nfs/dbraw/zinc/06/80/24/167068024.db2.gz SZAKNQPECQNQAE-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CCC[C@H](C)N1CCO[C@@H](C)C1 306292916 167068276 /nfs/dbraw/zinc/06/82/76/167068276.db2.gz SZAKNQPECQNQAE-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CCC[C@H](C)NC(=O)CNC(C)C 37394697 167068590 /nfs/dbraw/zinc/06/85/90/167068590.db2.gz KIMPKKDGKOJWET-VIFPVBQESA-N 0 3 186.299 1.289 20 0 ADADHN CCC[C@H](C)NC(=O)CNC1CC1 37395027 167069041 /nfs/dbraw/zinc/06/90/41/167069041.db2.gz DTSPFYRYKAYSQF-QMMMGPOBSA-N 0 3 184.283 1.043 20 0 ADADHN CCC[C@H](C)NC(=O)[C@H]1CCCCN1 19411967 167069798 /nfs/dbraw/zinc/06/97/98/167069798.db2.gz FSMDVTQDPXQGNI-VHSXEESVSA-N 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/nfs/dbraw/zinc/93/16/29/343931629.db2.gz BXOATJVQXUEOLZ-DTWKUNHWSA-N 0 3 189.324 1.195 20 0 ADADHN CCC[C@H](CC)NC(=O)C(C)(C)N 50405365 167076493 /nfs/dbraw/zinc/07/64/93/167076493.db2.gz TYXIYLLRMZHMOC-QMMMGPOBSA-N 0 3 186.299 1.419 20 0 ADADHN CCC[C@H](CC)NC(=O)[C@H](N)CC 50405405 167076648 /nfs/dbraw/zinc/07/66/48/167076648.db2.gz VHLCTJMWIMHAQI-DTWKUNHWSA-N 0 3 186.299 1.419 20 0 ADADHN C[C@@H](O)CCN1CCSC[C@H]1C 134012809 343931636 /nfs/dbraw/zinc/93/16/36/343931636.db2.gz BXOATJVQXUEOLZ-RKDXNWHRSA-N 0 3 189.324 1.195 20 0 ADADHN CCC[C@H](CC)NC(=O)[C@@H](N)CC 50405409 167077235 /nfs/dbraw/zinc/07/72/35/167077235.db2.gz VHLCTJMWIMHAQI-IUCAKERBSA-N 0 3 186.299 1.419 20 0 ADADHN CCC[C@H](N)c1cscn1 82406222 167082865 /nfs/dbraw/zinc/08/28/65/167082865.db2.gz OPCAOYLOBMVPSM-LURJTMIESA-N 0 3 156.254 1.943 20 0 ADADHN CCC[C@H]1CCCN(C(=O)[C@@H](C)N)C1 309021324 167087658 /nfs/dbraw/zinc/08/76/58/167087658.db2.gz XDVAOKWCWZJBGO-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H]1CCCCN1C(=O)[C@@H](C)N 212952386 167087945 /nfs/dbraw/zinc/08/79/45/167087945.db2.gz ROJOZXFQHSCWDD-ZJUUUORDSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@H]1CCCCN1C(=O)CN 212970868 167088361 /nfs/dbraw/zinc/08/83/61/167088361.db2.gz SQHQQIBDMPOBQL-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN CCC[C@H]1CCCCN1C(=O)[C@H](C)N 212952515 167089219 /nfs/dbraw/zinc/08/92/19/167089219.db2.gz ROJOZXFQHSCWDD-UWVGGRQHSA-N 0 3 198.310 1.515 20 0 ADADHN CCC[C@H]1CCCN(C(=O)[C@H](C)N)C1 309021320 167089259 /nfs/dbraw/zinc/08/92/59/167089259.db2.gz XDVAOKWCWZJBGO-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H]1CN(C(C)C)CCO1 306422635 167089263 /nfs/dbraw/zinc/08/92/63/167089263.db2.gz AOUIVIVKRLNMEQ-JTQLQIEISA-N 0 3 171.284 1.896 20 0 ADADHN CCC[C@H]1[C@@H](C)CCCN1C(=O)CN 335606474 167090732 /nfs/dbraw/zinc/09/07/32/167090732.db2.gz OGOOFPFRAXEQQJ-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H]1[C@H](C)CCCN1C(=O)CN 335606476 167091532 /nfs/dbraw/zinc/09/15/32/167091532.db2.gz 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CCCN[C@H]1C[C@@H](C)n2ccnc21 306365856 167002881 /nfs/dbraw/zinc/00/28/81/167002881.db2.gz CBKYEVUFZZYPKQ-BDAKNGLRSA-N 0 3 179.267 1.889 20 0 ADADHN CCCc1ccnc(C(=N)N)c1 71186683 167106969 /nfs/dbraw/zinc/10/69/69/167106969.db2.gz NVQCDQSTAABKCX-UHFFFAOYSA-N 0 3 163.224 1.318 20 0 ADADHN CCCc1csc(CNC)n1 53294175 167107175 /nfs/dbraw/zinc/10/71/75/167107175.db2.gz FSIBZQMUYHOBRL-UHFFFAOYSA-N 0 3 170.281 1.815 20 0 ADADHN CCCn1c(C)nnc1[C@H]1CCCN1 42030537 167117510 /nfs/dbraw/zinc/11/75/10/167117510.db2.gz FWCYPJOPSVWEBX-SECBINFHSA-N 0 3 194.282 1.421 20 0 ADADHN CCCn1c(C)nnc1[C@@H]1CCCN1 42030534 167119224 /nfs/dbraw/zinc/11/92/24/167119224.db2.gz FWCYPJOPSVWEBX-VIFPVBQESA-N 0 3 194.282 1.421 20 0 ADADHN CCCn1cnnc1[C@H]1CCCN1 54497996 167121405 /nfs/dbraw/zinc/12/14/05/167121405.db2.gz RYZATMLABHKSAN-MRVPVSSYSA-N 0 3 180.255 1.113 20 0 ADADHN CCCn1cnnc1[C@@H]1CCCN1 54497995 167121743 /nfs/dbraw/zinc/12/17/43/167121743.db2.gz RYZATMLABHKSAN-QMMMGPOBSA-N 0 3 180.255 1.113 20 0 ADADHN 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167132324 /nfs/dbraw/zinc/13/23/24/167132324.db2.gz PRLQMUMYAJZMJD-ZJUUUORDSA-N 0 3 198.310 1.195 20 0 ADADHN CCN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C 336399068 167132326 /nfs/dbraw/zinc/13/23/26/167132326.db2.gz MDNDUXBIZAHEDQ-UWVGGRQHSA-N 0 3 198.310 1.338 20 0 ADADHN CCN(C)C(=O)CN1[C@@H](C)CC[C@H]1C 336399066 167132343 /nfs/dbraw/zinc/13/23/43/167132343.db2.gz MDNDUXBIZAHEDQ-AOOOYVTPSA-N 0 3 198.310 1.338 20 0 ADADHN CCN(C)C(=O)CN1C[C@@H](C)C[C@@H]1C 334418769 167132378 /nfs/dbraw/zinc/13/23/78/167132378.db2.gz PRLQMUMYAJZMJD-UWVGGRQHSA-N 0 3 198.310 1.195 20 0 ADADHN CCN(C)C(=O)CN1C[C@H](C)[C@@H](C)C1 335742201 167132399 /nfs/dbraw/zinc/13/23/99/167132399.db2.gz AFSRDROSXCNBID-UWVGGRQHSA-N 0 3 198.310 1.053 20 0 ADADHN CCN(C)C(=O)[C@H]1CCCCN1CC 336586251 167136338 /nfs/dbraw/zinc/13/63/38/167136338.db2.gz ZGEIRDTXXZMMGI-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(C)C(=O)[C@H]1CCCN1C1CC1 336103715 167137516 /nfs/dbraw/zinc/13/75/16/167137516.db2.gz YOSMDXXXKZCJCO-SNVBAGLBSA-N 0 3 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/nfs/dbraw/zinc/27/66/71/167276671.db2.gz LZFJPWXXWVQRED-UHFFFAOYSA-N 0 3 156.254 1.561 20 0 ADADHN CCNCc1cnc(C)s1 37505428 167276711 /nfs/dbraw/zinc/27/67/11/167276711.db2.gz OEIDROVMMVHZSG-UHFFFAOYSA-N 0 3 156.254 1.561 20 0 ADADHN CCNCc1cnc(CC)s1 37923639 167276728 /nfs/dbraw/zinc/27/67/28/167276728.db2.gz OOUJVSDWCWNJTD-UHFFFAOYSA-N 0 3 170.281 1.815 20 0 ADADHN CCNCc1cnn(CC2CCC2)c1 83841984 167276841 /nfs/dbraw/zinc/27/68/41/167276841.db2.gz MYBUITACCOGJJG-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CCNCc1conc1C 82410218 167276943 /nfs/dbraw/zinc/27/69/43/167276943.db2.gz AGDZEUNKFGTLBN-UHFFFAOYSA-N 0 3 140.186 1.093 20 0 ADADHN CCNCc1cnn2ccccc12 70944218 167277434 /nfs/dbraw/zinc/27/74/34/167277434.db2.gz IWGNMSKIMNDDAC-UHFFFAOYSA-N 0 3 175.235 1.444 20 0 ADADHN CCNCc1cnn(C(C)(C)C)c1 37184624 167278254 /nfs/dbraw/zinc/27/82/54/167278254.db2.gz ZRPAYBPCPLXQPT-UHFFFAOYSA-N 0 3 181.283 1.748 20 0 ADADHN CCNCc1cccnc1N(C)C 51436690 167278391 /nfs/dbraw/zinc/27/83/91/167278391.db2.gz QFBLGFDLGJCTGB-UHFFFAOYSA-N 0 3 179.267 1.257 20 0 ADADHN CCNCc1nccn1C(C)C 95091534 167278500 /nfs/dbraw/zinc/27/85/00/167278500.db2.gz IWSBUPDXLMQLGN-UHFFFAOYSA-N 0 3 167.256 1.574 20 0 ADADHN CCNCc1nc(CC)cs1 53294527 167278586 /nfs/dbraw/zinc/27/85/86/167278586.db2.gz LEUYEMBROXQTJL-UHFFFAOYSA-N 0 3 170.281 1.815 20 0 ADADHN CCNCc1cn2cc(C)ccc2n1 76790176 167278688 /nfs/dbraw/zinc/27/86/88/167278688.db2.gz PAQSJWLBGPKVNH-UHFFFAOYSA-N 0 3 189.262 1.752 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCCCCC1 20314325 167280058 /nfs/dbraw/zinc/28/00/58/167280058.db2.gz KJEHRYAEIMUJJW-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCN[C@@H](C)C(=O)NC1CCCCC1 20299852 167280604 /nfs/dbraw/zinc/28/06/04/167280604.db2.gz XBACIRKMOWZQNZ-VIFPVBQESA-N 0 3 198.310 1.433 20 0 ADADHN CCN[C@@H](C)C(=O)NC1CCCC1 20299835 167280925 /nfs/dbraw/zinc/28/09/25/167280925.db2.gz SAHICKOEYBUJSJ-QMMMGPOBSA-N 0 3 184.283 1.043 20 0 ADADHN CCN[C@@H](C)C(=O)Nc1ccccc1 20299832 167281264 /nfs/dbraw/zinc/28/12/64/167281264.db2.gz SSXQZALGPNNDRQ-VIFPVBQESA-N 0 3 192.262 1.623 20 0 ADADHN CCN[C@@H](C)c1nnc2ccccn12 35229052 167283346 /nfs/dbraw/zinc/28/33/46/167283346.db2.gz VTFXEFNQDOYJHY-QMMMGPOBSA-N 0 3 190.250 1.400 20 0 ADADHN CCN[C@@H](C)c1cc(C)n(C)n1 300767381 167283510 /nfs/dbraw/zinc/28/35/10/167283510.db2.gz PBJALVBJQVWXGP-QMMMGPOBSA-N 0 3 167.256 1.399 20 0 ADADHN CCN[C@@H](C)c1cc2n(n1)CCC2 334600450 167283656 /nfs/dbraw/zinc/28/36/56/167283656.db2.gz YJNOJCROKNCRPO-QMMMGPOBSA-N 0 3 179.267 1.500 20 0 ADADHN CCN[C@@H](C)c1cnc(C)nc1C 54962914 167284154 /nfs/dbraw/zinc/28/41/54/167284154.db2.gz ZNINXHWCXHTCAX-ZETCQYMHSA-N 0 3 179.267 1.764 20 0 ADADHN CCN[C@@H](C)c1cncc(F)c1 49576403 167284167 /nfs/dbraw/zinc/28/41/67/167284167.db2.gz HROIHHLCUCPFRG-ZETCQYMHSA-N 0 3 168.215 1.891 20 0 ADADHN CCN[C@@H](C)c1cnn(C)c1C 35276638 167284496 /nfs/dbraw/zinc/28/44/96/167284496.db2.gz DMSGXKICHIVFLJ-ZETCQYMHSA-N 0 3 167.256 1.399 20 0 ADADHN CCN[C@@H](C)c1cncnc1C 54962912 167284551 /nfs/dbraw/zinc/28/45/51/167284551.db2.gz MQTFQOOHAASTRR-ZETCQYMHSA-N 0 3 165.240 1.456 20 0 ADADHN CCN[C@@H](C)c1nccs1 41042100 167284876 /nfs/dbraw/zinc/28/48/76/167284876.db2.gz COOGNGYQDXFQQF-LURJTMIESA-N 0 3 156.254 1.814 20 0 ADADHN CCN[C@@H](C)c1cnn(C)c1 35555623 167284938 /nfs/dbraw/zinc/28/49/38/167284938.db2.gz AQCMVVPTSGZACN-ZETCQYMHSA-N 0 3 153.229 1.091 20 0 ADADHN CCN[C@@H](C)c1nccn1C 69631270 167285288 /nfs/dbraw/zinc/28/52/88/167285288.db2.gz OJUYSBSXQPPXBS-ZETCQYMHSA-N 0 3 153.229 1.091 20 0 ADADHN CCN[C@@H](C)c1ccccn1 19433624 167285610 /nfs/dbraw/zinc/28/56/10/167285610.db2.gz HZCDWHPTXWUJGT-QMMMGPOBSA-N 0 3 150.225 1.752 20 0 ADADHN CCN[C@@H](C)c1cnn(CC)c1 44421913 167285732 /nfs/dbraw/zinc/28/57/32/167285732.db2.gz QMMDFGSGIHIWRK-QMMMGPOBSA-N 0 3 167.256 1.574 20 0 ADADHN CCN[C@@H](CO)c1ccccc1OC 38120350 167286502 /nfs/dbraw/zinc/28/65/02/167286502.db2.gz REPUUMDWKOELNH-JTQLQIEISA-N 0 3 195.262 1.338 20 0 ADADHN CCN[C@@H](CO)c1cccc(F)c1 38120288 167286845 /nfs/dbraw/zinc/28/68/45/167286845.db2.gz IKSQBCSVSGLNBO-JTQLQIEISA-N 0 3 183.226 1.469 20 0 ADADHN CCN[C@@H](CO)c1ccc(F)cc1 38120368 167287824 /nfs/dbraw/zinc/28/78/24/167287824.db2.gz JSAUKWKLGNYYRO-JTQLQIEISA-N 0 3 183.226 1.469 20 0 ADADHN CCN[C@H](C)C(=O)NC1CCCC1 20299837 167293645 /nfs/dbraw/zinc/29/36/45/167293645.db2.gz SAHICKOEYBUJSJ-MRVPVSSYSA-N 0 3 184.283 1.043 20 0 ADADHN CCN[C@H](C)C(=O)N1CCCCCC1 20314332 167293933 /nfs/dbraw/zinc/29/39/33/167293933.db2.gz KJEHRYAEIMUJJW-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCN[C@H](C)C(=O)NC1CCCCC1 20299854 167294695 /nfs/dbraw/zinc/29/46/95/167294695.db2.gz XBACIRKMOWZQNZ-SECBINFHSA-N 0 3 198.310 1.433 20 0 ADADHN CCN[C@H](C)C(=O)Nc1ccccc1 20299833 167296837 /nfs/dbraw/zinc/29/68/37/167296837.db2.gz SSXQZALGPNNDRQ-SECBINFHSA-N 0 3 192.262 1.623 20 0 ADADHN CCN[C@H](C)c1cc2n(n1)CCC2 334600449 167297079 /nfs/dbraw/zinc/29/70/79/167297079.db2.gz YJNOJCROKNCRPO-MRVPVSSYSA-N 0 3 179.267 1.500 20 0 ADADHN CCN[C@H](C)c1cc(C)n(C)n1 300767377 167297392 /nfs/dbraw/zinc/29/73/92/167297392.db2.gz PBJALVBJQVWXGP-MRVPVSSYSA-N 0 3 167.256 1.399 20 0 ADADHN CCN[C@H](C)c1nccn1C 69631272 167297790 /nfs/dbraw/zinc/29/77/90/167297790.db2.gz OJUYSBSXQPPXBS-SSDOTTSWSA-N 0 3 153.229 1.091 20 0 ADADHN CCN[C@H](CO)c1ccc(F)cc1 38120369 167298049 /nfs/dbraw/zinc/29/80/49/167298049.db2.gz JSAUKWKLGNYYRO-SNVBAGLBSA-N 0 3 183.226 1.469 20 0 ADADHN CCN[C@H](C)c1cnn(C)c1 35555626 167298107 /nfs/dbraw/zinc/29/81/07/167298107.db2.gz AQCMVVPTSGZACN-SSDOTTSWSA-N 0 3 153.229 1.091 20 0 ADADHN CCN[C@H](C)c1cnn(CC)c1 44421916 167298115 /nfs/dbraw/zinc/29/81/15/167298115.db2.gz QMMDFGSGIHIWRK-MRVPVSSYSA-N 0 3 167.256 1.574 20 0 ADADHN CCN[C@H](C)c1cnn(C)c1C 35276640 167298346 /nfs/dbraw/zinc/29/83/46/167298346.db2.gz DMSGXKICHIVFLJ-SSDOTTSWSA-N 0 3 167.256 1.399 20 0 ADADHN CCN[C@H](CO)c1cccc(F)c1 38120289 167298602 /nfs/dbraw/zinc/29/86/02/167298602.db2.gz IKSQBCSVSGLNBO-SNVBAGLBSA-N 0 3 183.226 1.469 20 0 ADADHN CCN[C@H](C)c1ccccn1 19433626 167298911 /nfs/dbraw/zinc/29/89/11/167298911.db2.gz HZCDWHPTXWUJGT-MRVPVSSYSA-N 0 3 150.225 1.752 20 0 ADADHN CCN[C@H](C)c1nnc2ccccn12 35229054 167299367 /nfs/dbraw/zinc/29/93/67/167299367.db2.gz VTFXEFNQDOYJHY-MRVPVSSYSA-N 0 3 190.250 1.400 20 0 ADADHN CCN[C@H](C)c1cnc(C)nc1C 54962915 167299514 /nfs/dbraw/zinc/29/95/14/167299514.db2.gz ZNINXHWCXHTCAX-SSDOTTSWSA-N 0 3 179.267 1.764 20 0 ADADHN CCN[C@H](CO)c1ccccc1OC 38120351 167299769 /nfs/dbraw/zinc/29/97/69/167299769.db2.gz REPUUMDWKOELNH-SNVBAGLBSA-N 0 3 195.262 1.338 20 0 ADADHN CCN[C@H](C)c1cncnc1C 54962913 167300084 /nfs/dbraw/zinc/30/00/84/167300084.db2.gz MQTFQOOHAASTRR-SSDOTTSWSA-N 0 3 165.240 1.456 20 0 ADADHN CSCCN[C@H](C)c1c[nH]nc1C 134544050 343944931 /nfs/dbraw/zinc/94/49/31/343944931.db2.gz USKXRWGJLLEBMB-SSDOTTSWSA-N 0 3 199.323 1.732 20 0 ADADHN CCN1CCCc2c(cnn2C)C1 334645608 167208773 /nfs/dbraw/zinc/20/87/73/167208773.db2.gz OXZHSQLFQXIFLA-UHFFFAOYSA-N 0 3 179.267 1.188 20 0 ADADHN Cc1n[nH]cc1[C@@H](C)NC1CC1 134540578 343944950 /nfs/dbraw/zinc/94/49/50/343944950.db2.gz XBBVJBCURAQHCW-ZCFIWIBFSA-N 0 3 165.240 1.531 20 0 ADADHN CCN1CCC[C@H]1[C@@H](O)C(F)(F)F 306299707 167209083 /nfs/dbraw/zinc/20/90/83/167209083.db2.gz YJOGUULAYOHQKO-NKWVEPMBSA-N 0 3 197.200 1.394 20 0 ADADHN CCNc1nccn1CC 34936118 167312413 /nfs/dbraw/zinc/31/24/13/167312413.db2.gz LPXFBCUGAYBXCQ-UHFFFAOYSA-N 0 3 139.202 1.335 20 0 ADADHN CCOC(=O)C1CCN(C(C)C)CC1 48583299 167325586 /nfs/dbraw/zinc/32/55/86/167325586.db2.gz LUVKHTGJKFFLMR-UHFFFAOYSA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)CCN(C)CC=C(C)C 50067271 167330141 /nfs/dbraw/zinc/33/01/41/167330141.db2.gz SUCIFLNUAZCVRY-UHFFFAOYSA-N 0 3 199.294 1.838 20 0 ADADHN CCOC(=O)C[C@H](N)c1ccoc1 4312865 167337097 /nfs/dbraw/zinc/33/70/97/167337097.db2.gz GPICNQGICXGSGZ-QMMMGPOBSA-N 0 3 183.207 1.233 20 0 ADADHN CCOC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 43559777 167349770 /nfs/dbraw/zinc/34/97/70/167349770.db2.gz OQCHFNSEQRFDPC-KXUCPTDWSA-N 0 3 199.294 1.811 20 0 ADADHN CCOC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C 43559778 167356255 /nfs/dbraw/zinc/35/62/55/167356255.db2.gz OQCHFNSEQRFDPC-AEJSXWLSSA-N 0 3 199.294 1.811 20 0 ADADHN CCOC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C 43559780 167356638 /nfs/dbraw/zinc/35/66/38/167356638.db2.gz OQCHFNSEQRFDPC-GUBZILKMSA-N 0 3 199.294 1.811 20 0 ADADHN CCOC(=O)[C@H]1CCCN1CC(C)C 50064051 167361532 /nfs/dbraw/zinc/36/15/32/167361532.db2.gz XICHBRZVQFJBGG-SNVBAGLBSA-N 0 3 199.294 1.670 20 0 ADADHN CCOCCCNCc1c[nH]nc1C 36901532 167386259 /nfs/dbraw/zinc/38/62/59/167386259.db2.gz VSMZSOZEBFJMBJ-UHFFFAOYSA-N 0 3 197.282 1.234 20 0 ADADHN CCOCCNCc1ccncc1 35098201 167388492 /nfs/dbraw/zinc/38/84/92/167388492.db2.gz BKBFPNYMTUFFPU-UHFFFAOYSA-N 0 3 180.251 1.208 20 0 ADADHN CCOCCNCc1cnn(CC)c1 50539539 167388540 /nfs/dbraw/zinc/38/85/40/167388540.db2.gz KUBAVLBCHNUUSA-UHFFFAOYSA-N 0 3 197.282 1.029 20 0 ADADHN CCOCCNCc1ccsc1 36228702 167388646 /nfs/dbraw/zinc/38/86/46/167388646.db2.gz VNCUVUMHFOSICR-UHFFFAOYSA-N 0 3 185.292 1.874 20 0 ADADHN CCOCCNCc1cccnc1 35098203 167389489 /nfs/dbraw/zinc/38/94/89/167389489.db2.gz CXPRLOJSWXFGMZ-UHFFFAOYSA-N 0 3 180.251 1.208 20 0 ADADHN CCOCCNCc1ccnn1CC 96033650 167390303 /nfs/dbraw/zinc/39/03/03/167390303.db2.gz PYPFMSCMIZMKIZ-UHFFFAOYSA-N 0 3 197.282 1.029 20 0 ADADHN CCOCCN[C@H](C)c1cccnc1 35125327 167391120 /nfs/dbraw/zinc/39/11/20/167391120.db2.gz QUYOBOBSUUXVNS-SNVBAGLBSA-N 0 3 194.278 1.769 20 0 ADADHN CCOCCN[C@@H](C)c1cccnc1 35125324 167391384 /nfs/dbraw/zinc/39/13/84/167391384.db2.gz QUYOBOBSUUXVNS-JTQLQIEISA-N 0 3 194.278 1.769 20 0 ADADHN CCOCCN[C@@H](C)c1ccncc1 35124805 167391928 /nfs/dbraw/zinc/39/19/28/167391928.db2.gz DCTUAAVMDKTWFV-JTQLQIEISA-N 0 3 194.278 1.769 20 0 ADADHN CCOCCN[C@@H](C)c1ccccn1 35124799 167392347 /nfs/dbraw/zinc/39/23/47/167392347.db2.gz HQAZKGJESQRSOG-JTQLQIEISA-N 0 3 194.278 1.769 20 0 ADADHN CCOCCN[C@H](C)c1ccncc1 35124807 167392383 /nfs/dbraw/zinc/39/23/83/167392383.db2.gz DCTUAAVMDKTWFV-SNVBAGLBSA-N 0 3 194.278 1.769 20 0 ADADHN CCOCCN[C@H](C)c1ccccn1 35124802 167392906 /nfs/dbraw/zinc/39/29/06/167392906.db2.gz HQAZKGJESQRSOG-SNVBAGLBSA-N 0 3 194.278 1.769 20 0 ADADHN CCOC[C@@H](C)NCc1cccnc1 44688390 167393172 /nfs/dbraw/zinc/39/31/72/167393172.db2.gz NXYSDDBBVMVRRV-SNVBAGLBSA-N 0 3 194.278 1.596 20 0 ADADHN CCOC[C@@H](C)NCc1ccccn1 44689776 167394099 /nfs/dbraw/zinc/39/40/99/167394099.db2.gz YPFKXBCHSAIRBD-SNVBAGLBSA-N 0 3 194.278 1.596 20 0 ADADHN CCOCCOc1ccccc1CN 20076437 167394644 /nfs/dbraw/zinc/39/46/44/167394644.db2.gz KSVXTKQNHJZMMU-UHFFFAOYSA-N 0 3 195.262 1.561 20 0 ADADHN CCOC[C@@H](C)NCc1c[nH]nc1C 44691061 167394787 /nfs/dbraw/zinc/39/47/87/167394787.db2.gz JWNACIAJEFDVPU-MRVPVSSYSA-N 0 3 197.282 1.233 20 0 ADADHN CCOC[C@H](C)NCc1ccccn1 44689779 167396050 /nfs/dbraw/zinc/39/60/50/167396050.db2.gz YPFKXBCHSAIRBD-JTQLQIEISA-N 0 3 194.278 1.596 20 0 ADADHN CCOC[C@H](C)NCc1c[nH]nc1C 44691063 167396653 /nfs/dbraw/zinc/39/66/53/167396653.db2.gz JWNACIAJEFDVPU-QMMMGPOBSA-N 0 3 197.282 1.233 20 0 ADADHN CCOC[C@H](C)NCc1cccnc1 44688393 167398062 /nfs/dbraw/zinc/39/80/62/167398062.db2.gz NXYSDDBBVMVRRV-JTQLQIEISA-N 0 3 194.278 1.596 20 0 ADADHN CCOc1cccc(CNC2CC2)n1 51523783 167425291 /nfs/dbraw/zinc/42/52/91/167425291.db2.gz ZWRJPZXUBFHUKA-UHFFFAOYSA-N 0 3 192.262 1.732 20 0 ADADHN CCOc1cccc(CNC(C)C)n1 51523760 167425791 /nfs/dbraw/zinc/42/57/91/167425791.db2.gz BOLBFQNJUJURSN-UHFFFAOYSA-N 0 3 194.278 1.978 20 0 ADADHN CC[C@@H](C)CN(C)C(=O)C(C)(C)N 40920571 167450643 /nfs/dbraw/zinc/45/06/43/167450643.db2.gz HUOIFMSJXMQPLD-MRVPVSSYSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)N1CCc2n[nH]cc2C1 306450602 167470309 /nfs/dbraw/zinc/47/03/09/167470309.db2.gz ZFZILAOEUXSWIZ-MRVPVSSYSA-N 0 3 179.267 1.566 20 0 ADADHN CC[C@@H](C)N1CC[C@](F)(CO)C1 306177905 167471095 /nfs/dbraw/zinc/47/10/95/167471095.db2.gz XUWROWJSRWDZJS-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](C)C1 40724499 167491667 /nfs/dbraw/zinc/49/16/67/167491667.db2.gz YZFQGEAMOJDPRP-AEJSXWLSSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](C)[C@H](C)NCc1ncc[nH]1 49715693 167494233 /nfs/dbraw/zinc/49/42/33/167494233.db2.gz GBFWTBQUDTUHCE-BDAKNGLRSA-N 0 3 181.283 1.934 20 0 ADADHN CCNc1ccccc1CN 13608513 167311315 /nfs/dbraw/zinc/31/13/15/167311315.db2.gz HOHDYZFUHAZLIT-UHFFFAOYSA-N 0 3 150.225 1.577 20 0 ADADHN CC[C@@H](COC)NCc1ccncc1 70623751 167515424 /nfs/dbraw/zinc/51/54/24/167515424.db2.gz AJMXKKFTVYUKDQ-NSHDSACASA-N 0 3 194.278 1.596 20 0 ADADHN CC[C@@H](F)CN1C[C@H](O)C2(CC2)C1 307751843 167517831 /nfs/dbraw/zinc/51/78/31/167517831.db2.gz POFYPKPZOBFBLE-BDAKNGLRSA-N 0 3 187.258 1.191 20 0 ADADHN CC[C@@H](N)C(=O)Nc1cccc(C)c1 36871403 167521813 /nfs/dbraw/zinc/52/18/13/167521813.db2.gz APGJRLUEAUWDCH-SNVBAGLBSA-N 0 3 192.262 1.671 20 0 ADADHN CC[C@@H](O)CN[C@@H](C)c1cccnc1 37688773 167537451 /nfs/dbraw/zinc/53/74/51/167537451.db2.gz XMKNWCMTZSEXDB-GXSJLCMTSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@@](C)(O)CN1CC[C@@](C)(F)C1 306686997 167578896 /nfs/dbraw/zinc/57/88/96/167578896.db2.gz GXLNFCUOKWWXHE-NXEZZACHSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@H](C)NCc1ccc(CO)o1 81546724 167616134 /nfs/dbraw/zinc/61/61/34/167616134.db2.gz LTLUYIYXKVCCQX-QMMMGPOBSA-N 0 3 183.251 1.660 20 0 ADADHN CC[C@H](C)[C@@H](C)NC(=O)[C@H](N)CC 42558945 167626657 /nfs/dbraw/zinc/62/66/57/167626657.db2.gz GLPNUNALLFHNMV-DJLDLDEBSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](COC)NCc1ccncc1 70623752 167647275 /nfs/dbraw/zinc/64/72/75/167647275.db2.gz AJMXKKFTVYUKDQ-LLVKDONJSA-N 0 3 194.278 1.596 20 0 ADADHN CC[C@H](N)C(=O)NCc1ccccc1 34180102 167651465 /nfs/dbraw/zinc/65/14/65/167651465.db2.gz PBFYKXNLPYNWNL-JTQLQIEISA-N 0 3 192.262 1.040 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccccc1C 36871412 167652597 /nfs/dbraw/zinc/65/25/97/167652597.db2.gz AVQKZTNKUSNTBH-VIFPVBQESA-N 0 3 192.262 1.671 20 0 ADADHN CC[C@H](N)C(=O)Nc1cccc(C)c1 36871402 167652736 /nfs/dbraw/zinc/65/27/36/167652736.db2.gz APGJRLUEAUWDCH-JTQLQIEISA-N 0 3 192.262 1.671 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@H](C)C1 37507192 167652967 /nfs/dbraw/zinc/65/29/67/167652967.db2.gz ZEYAZKOPZNHHPC-GUBZILKMSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@@H](C)CC1(C)C 306851090 167653409 /nfs/dbraw/zinc/65/34/09/167653409.db2.gz QDCFKBDEJUHMED-IUCAKERBSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C 36871330 167653415 /nfs/dbraw/zinc/65/34/15/167653415.db2.gz JLOGSHXFETWDME-LPEHRKFASA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](NCc1nccn1C)C(C)C 42589092 167666012 /nfs/dbraw/zinc/66/60/12/167666012.db2.gz LEKGIPKKNYDXFU-JTQLQIEISA-N 0 3 195.310 1.944 20 0 ADADHN CC[C@H]1CCCN1Cc1cc[nH]n1 307604793 167683767 /nfs/dbraw/zinc/68/37/67/167683767.db2.gz XBMZKZVFWRKMAZ-JTQLQIEISA-N 0 3 179.267 1.784 20 0 ADADHN CC[C@H]1CN(CC2CC2)CCO1 336555752 167693436 /nfs/dbraw/zinc/69/34/36/167693436.db2.gz MLVOOXFMJYGXKM-JTQLQIEISA-N 0 3 169.268 1.507 20 0 ADADHN CCc1cc([C@@H](C)N)n(C)n1 82842640 167731372 /nfs/dbraw/zinc/73/13/72/167731372.db2.gz FDQNIQRNZYHBEF-ZCFIWIBFSA-N 0 3 153.229 1.002 20 0 ADADHN CCc1cccc2c1OC[C@H]2N 35657710 167752332 /nfs/dbraw/zinc/75/23/32/167752332.db2.gz HAOUCRMXJPUIAV-SECBINFHSA-N 0 3 163.220 1.641 20 0 ADADHN CCn1ccnc1CNCC1CCC1 51921441 167805256 /nfs/dbraw/zinc/80/52/56/167805256.db2.gz MHPIAUFDFDWIBD-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CNC(=O)CN[C@H](C)c1ccccc1 20035429 167959013 /nfs/dbraw/zinc/95/90/13/167959013.db2.gz HSJYRTLJIRNQMP-SECBINFHSA-N 0 3 192.262 1.083 20 0 ADADHN CNC(=O)[C@H](C)N[C@@H]1CCC12CCC2 306175014 167971314 /nfs/dbraw/zinc/97/13/14/167971314.db2.gz MQNCQOZCLYXJNO-DTWKUNHWSA-N 0 3 196.294 1.043 20 0 ADADHN CNCC(=O)N(C)[C@@H]1CCCC[C@@H]1C 37806882 167983278 /nfs/dbraw/zinc/98/32/78/167983278.db2.gz WKFMRKVZKVYBNZ-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N1CC[C@@H](C)C[C@@H](C)C1 307190987 167984788 /nfs/dbraw/zinc/98/47/88/167984788.db2.gz KCBZIQOOPZHKDE-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CNCC(=O)N(C)[C@H]1CCCC[C@H]1C 37806879 167984845 /nfs/dbraw/zinc/98/48/45/167984845.db2.gz WKFMRKVZKVYBNZ-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N1C[C@H](C)CCC[C@H]1C 307511249 167985653 /nfs/dbraw/zinc/98/56/53/167985653.db2.gz LDIBTNLVFXNUKL-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N1CCCC[C@H]1C(C)C 336517490 167985696 /nfs/dbraw/zinc/98/56/96/167985696.db2.gz BJSQIKVNKLQQRI-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 42494862 167985856 /nfs/dbraw/zinc/98/58/56/167985856.db2.gz SMFFUGDBRURTCO-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 19426505 167986003 /nfs/dbraw/zinc/98/60/03/167986003.db2.gz RXJNISQQRDDOIT-KXUCPTDWSA-N 0 3 198.310 1.147 20 0 ADADHN CNCC(=O)N[C@H](C)c1ccsc1 61366425 167986036 /nfs/dbraw/zinc/98/60/36/167986036.db2.gz LSESSLHKGBVMNJ-SSDOTTSWSA-N 0 3 198.291 1.145 20 0 ADADHN CNCC(=O)NC1(C)CCCCC1 45046981 167986372 /nfs/dbraw/zinc/98/63/72/167986372.db2.gz PGSYLQUPPPGMOP-UHFFFAOYSA-N 0 3 184.283 1.045 20 0 ADADHN CNCc1cc(-c2ccncc2)n[nH]1 50478939 168015611 /nfs/dbraw/zinc/01/56/11/168015611.db2.gz LEZUROOJXLMGDZ-UHFFFAOYSA-N 0 3 188.234 1.191 20 0 ADADHN CNCc1cc(C)oc1C 36947798 168015674 /nfs/dbraw/zinc/01/56/74/168015674.db2.gz CPLYWFGMMQTLJX-UHFFFAOYSA-N 0 3 139.198 1.616 20 0 ADADHN CNCc1cc(C(F)(F)F)n[nH]1 72226098 168015856 /nfs/dbraw/zinc/01/58/56/168015856.db2.gz UUCFAKXUGFPRGH-UHFFFAOYSA-N 0 3 179.145 1.148 20 0 ADADHN CNCc1cc(-c2ccccn2)n[nH]1 50478935 168016575 /nfs/dbraw/zinc/01/65/75/168016575.db2.gz PSXMUJQRWZYUTK-UHFFFAOYSA-N 0 3 188.234 1.191 20 0 ADADHN CNCc1c[nH]nc1C1CCCC1 83273351 168016593 /nfs/dbraw/zinc/01/65/93/168016593.db2.gz SDYDAWPBEIVSHM-UHFFFAOYSA-N 0 3 179.267 1.787 20 0 ADADHN CNCc1cc(-c2cccnc2)n[nH]1 50478941 168017070 /nfs/dbraw/zinc/01/70/70/168017070.db2.gz IFMBJZCOYLFPNT-UHFFFAOYSA-N 0 3 188.234 1.191 20 0 ADADHN CNCc1ccc(OC(C)C)nc1 38540936 168018628 /nfs/dbraw/zinc/01/86/28/168018628.db2.gz ZPAIUYNNWHLOBP-UHFFFAOYSA-N 0 3 180.251 1.588 20 0 ADADHN CNCc1ccc(Cl)cn1 70624933 168018739 /nfs/dbraw/zinc/01/87/39/168018739.db2.gz LUKUXDRCQOBRAD-UHFFFAOYSA-N 0 3 156.616 1.454 20 0 ADADHN CNCc1cccc(C(F)(F)F)n1 85221168 168018826 /nfs/dbraw/zinc/01/88/26/168018826.db2.gz IGLWJWFLOBKURR-UHFFFAOYSA-N 0 3 190.168 1.820 20 0 ADADHN CNCc1ccc(C(F)(F)F)cn1 95761302 168019326 /nfs/dbraw/zinc/01/93/26/168019326.db2.gz YNTYWEZRKYDRHQ-UHFFFAOYSA-N 0 3 190.168 1.820 20 0 ADADHN CNCc1cccc(NC(C)=O)c1 36282649 168019331 /nfs/dbraw/zinc/01/93/31/168019331.db2.gz RLAGGQJBJWMNPZ-UHFFFAOYSA-N 0 3 178.235 1.364 20 0 ADADHN CNCc1c[nH]nc1C(F)(F)F 83273036 168019458 /nfs/dbraw/zinc/01/94/58/168019458.db2.gz ANJUKUXRQKJUAJ-UHFFFAOYSA-N 0 3 179.145 1.148 20 0 ADADHN CNCc1ccnc(C2CC2)n1 54791161 168020067 /nfs/dbraw/zinc/02/00/67/168020067.db2.gz VCERGODDPLWUTR-UHFFFAOYSA-N 0 3 163.224 1.073 20 0 ADADHN CNCc1cnccc1C 82836900 168020527 /nfs/dbraw/zinc/02/05/27/168020527.db2.gz XLIXVGXDWAONAR-UHFFFAOYSA-N 0 3 136.198 1.109 20 0 in-vitro ADADHN CNCc1ccnc(C(F)(F)F)c1 38434630 168020603 /nfs/dbraw/zinc/02/06/03/168020603.db2.gz MMRPRAIHDBXPHW-UHFFFAOYSA-N 0 3 190.168 1.820 20 0 ADADHN CNCc1ccccc1NC(C)=O 36280880 168020622 /nfs/dbraw/zinc/02/06/22/168020622.db2.gz OVDAAOHDNRNCRW-UHFFFAOYSA-N 0 3 178.235 1.364 20 0 ADADHN CNCc1cnn(C2CCCC2)c1 40538516 168021542 /nfs/dbraw/zinc/02/15/42/168021542.db2.gz HJPPRUYMFWOPJN-UHFFFAOYSA-N 0 3 179.267 1.718 20 0 ADADHN CNCc1cncnc1C(F)(F)F 83277733 168021751 /nfs/dbraw/zinc/02/17/51/168021751.db2.gz ZWKZPFGLBVJFHP-UHFFFAOYSA-N 0 3 191.156 1.215 20 0 ADADHN CNCc1nc(C(C)C)cs1 3711101 168021967 /nfs/dbraw/zinc/02/19/67/168021967.db2.gz PQKZAUQEMBDUKX-UHFFFAOYSA-N 0 3 170.281 1.986 20 0 ADADHN CNCc1nc(-c2cccs2)c[nH]1 36877309 168023291 /nfs/dbraw/zinc/02/32/91/168023291.db2.gz BCHMYAAPXRPNIZ-UHFFFAOYSA-N 0 3 193.275 1.858 20 0 ADADHN CNCc1cnn(C)c1C(F)(F)F 78936176 168023350 /nfs/dbraw/zinc/02/33/50/168023350.db2.gz NOHIGHVULWFSKU-UHFFFAOYSA-N 0 3 193.172 1.158 20 0 ADADHN CNCc1cnn(CC2CCCC2)c1 54719205 168023801 /nfs/dbraw/zinc/02/38/01/168023801.db2.gz JGRNUCVKQGMPTD-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CNCc1cnn(CC(C)C)c1 40932484 168023929 /nfs/dbraw/zinc/02/39/29/168023929.db2.gz PAJDSXKFDDFPID-UHFFFAOYSA-N 0 3 167.256 1.259 20 0 ADADHN CNCc1cnoc1C(C)C 82843369 168024034 /nfs/dbraw/zinc/02/40/34/168024034.db2.gz LRJUYSQASDMEIF-UHFFFAOYSA-N 0 3 154.213 1.517 20 0 ADADHN CNCc1sc(C)nc1C 52330068 168025337 /nfs/dbraw/zinc/02/53/37/168025337.db2.gz AMEJZNVARBMYKK-UHFFFAOYSA-N 0 3 156.254 1.479 20 0 ADADHN CN[C@@H](C)C(=O)N(C)C1CCCCC1 55421390 168029565 /nfs/dbraw/zinc/02/95/65/168029565.db2.gz DCVPJEICAPIMHC-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CN[C@@H](C)C(=O)NC1CCC(C)CC1 52395798 168029729 /nfs/dbraw/zinc/02/97/29/168029729.db2.gz PEHQPSWHAVHZMW-KYHHOPLUSA-N 0 3 198.310 1.289 20 0 ADADHN CN[C@@H](C)C(=O)N1CCCCCCC1 54071847 168029759 /nfs/dbraw/zinc/02/97/59/168029759.db2.gz ZNFQNONBMUWGRF-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CN[C@@H](C)C(=O)Nc1ccccc1C 55421695 168029963 /nfs/dbraw/zinc/02/99/63/168029963.db2.gz SZGZEDUMTPWSOD-VIFPVBQESA-N 0 3 192.262 1.541 20 0 ADADHN CN[C@@H](C)C(=O)N(C)CC(C)(C)C 54076805 168030131 /nfs/dbraw/zinc/03/01/31/168030131.db2.gz QEJFWLNYUDLNHE-QMMMGPOBSA-N 0 3 186.299 1.099 20 0 ADADHN CN[C@@H](C)C(=O)Nc1ccc(F)cc1 55421536 168030260 /nfs/dbraw/zinc/03/02/60/168030260.db2.gz XGXPQYXFHMPKSZ-ZETCQYMHSA-N 0 3 196.225 1.372 20 0 ADADHN CN[C@@H](C)C(=O)Nc1ccccc1F 55421311 168030275 /nfs/dbraw/zinc/03/02/75/168030275.db2.gz FHTTVBUIXUMUPO-ZETCQYMHSA-N 0 3 196.225 1.372 20 0 ADADHN CN[C@@H](C)C(=O)Nc1cccc(F)c1 48775623 168030522 /nfs/dbraw/zinc/03/05/22/168030522.db2.gz PKUSTLBTICXPTN-ZETCQYMHSA-N 0 3 196.225 1.372 20 0 ADADHN CN[C@@H](C)C(=O)N(C)c1ccccc1 55421412 168030541 /nfs/dbraw/zinc/03/05/41/168030541.db2.gz UZHNZOMZHWFJOD-VIFPVBQESA-N 0 3 192.262 1.257 20 0 ADADHN CN[C@@H](C)C(=O)Nc1cccc(C)c1 55421419 168030574 /nfs/dbraw/zinc/03/05/74/168030574.db2.gz BGCLEYGEBWHOEG-VIFPVBQESA-N 0 3 192.262 1.541 20 0 ADADHN CN[C@@H](C)C(=O)Nc1ccccc1 20299761 168030923 /nfs/dbraw/zinc/03/09/23/168030923.db2.gz FLUVCRPZQJWVCW-QMMMGPOBSA-N 0 3 178.235 1.233 20 0 ADADHN CN[C@@H](C)C(=O)N1CCC(C)(C)CC1 61821104 168031327 /nfs/dbraw/zinc/03/13/27/168031327.db2.gz DWBRVXTUAGOVQA-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CN[C@@H](C)C(=O)NC1CCCCCC1 48775748 168031333 /nfs/dbraw/zinc/03/13/33/168031333.db2.gz BMZUBTCUQIHSPL-VIFPVBQESA-N 0 3 198.310 1.433 20 0 ADADHN CN[C@@H](C)C(=O)NC1(C)CCCCC1 54076803 168031412 /nfs/dbraw/zinc/03/14/12/168031412.db2.gz JLKVRYRQJRTZGF-VIFPVBQESA-N 0 3 198.310 1.433 20 0 ADADHN CN[C@@H](C)C(=O)Nc1ccc(C)cc1 55421286 168031461 /nfs/dbraw/zinc/03/14/61/168031461.db2.gz MLPDYQRKRGUKMN-VIFPVBQESA-N 0 3 192.262 1.541 20 0 ADADHN CN[C@@H](C)C(=O)NC1CCCCC1 20299781 168031496 /nfs/dbraw/zinc/03/14/96/168031496.db2.gz BTMJRAVONZTMRN-QMMMGPOBSA-N 0 3 184.283 1.043 20 0 ADADHN CN[C@@H](C)C(=O)NC1(C)CCCC1 54076525 168031513 /nfs/dbraw/zinc/03/15/13/168031513.db2.gz DYQVESNLHUCSFF-QMMMGPOBSA-N 0 3 184.283 1.043 20 0 ADADHN CN[C@@H]1CCCc2c1ncn2C 76087432 168040262 /nfs/dbraw/zinc/04/02/62/168040262.db2.gz DCIHDXUENZXXLF-SSDOTTSWSA-N 0 3 165.240 1.017 20 0 ADADHN CN[C@H]1CCCc2c(OC)ccnc21 95221080 168057054 /nfs/dbraw/zinc/05/70/54/168057054.db2.gz VZVOMKZWBYHONL-VIFPVBQESA-N 0 3 192.262 1.687 20 0 ADADHN CN[C@H]1CCCc2c1ncn2C 76087434 168057933 /nfs/dbraw/zinc/05/79/33/168057933.db2.gz DCIHDXUENZXXLF-ZETCQYMHSA-N 0 3 165.240 1.017 20 0 ADADHN CN[C@H]1Cc2cc(OC)c(OC)cc21 85221647 168060074 /nfs/dbraw/zinc/06/00/74/168060074.db2.gz ZDZHWEZKMRRZHH-VIFPVBQESA-N 0 3 193.246 1.520 20 0 ADADHN CNc1c(N)cnc2ccccc12 34196929 168062383 /nfs/dbraw/zinc/06/23/83/168062383.db2.gz OGAYBYZECXWINC-UHFFFAOYSA-N 0 3 173.219 1.859 20 0 ADADHN CNc1ccc2c(c1)CNC2 238317044 168066682 /nfs/dbraw/zinc/06/66/82/168066682.db2.gz WHXNAZMBNDOAGR-UHFFFAOYSA-N 0 3 148.209 1.332 20 0 ADADHN CNc1cccc2c1CNC2 238320391 168068881 /nfs/dbraw/zinc/06/88/81/168068881.db2.gz UIFKAXYCVSUNJT-UHFFFAOYSA-N 0 3 148.209 1.332 20 0 in-vitro ADADHN C[C@H]1CCN(C(=O)C(C)(C)N)C[C@H]1C 135198879 343957454 /nfs/dbraw/zinc/95/74/54/343957454.db2.gz IWCWEOXZZILXIF-DTWKUNHWSA-N 0 3 198.310 1.228 20 0 ADADHN COC(=O)C1CCN(C(C)C)CC1 48582380 168083298 /nfs/dbraw/zinc/08/32/98/168083298.db2.gz GRMCCTRAYYCXEV-UHFFFAOYSA-N 0 3 185.267 1.280 20 0 ADADHN COC(=O)C1CCN(CC2CC2)CC1 50048155 168084438 /nfs/dbraw/zinc/08/44/38/168084438.db2.gz ZWFIKJYHPVOXOQ-UHFFFAOYSA-N 0 3 197.278 1.281 20 0 ADADHN COC(=O)CN1C[C@H](C)CC1(C)C 306513081 168090675 /nfs/dbraw/zinc/09/06/75/168090675.db2.gz RPMZGLMMIJXRKZ-MRVPVSSYSA-N 0 3 185.267 1.280 20 0 ADADHN COC(=O)CN1[C@@H](C)CCC1(C)C 336304225 168091118 /nfs/dbraw/zinc/09/11/18/168091118.db2.gz CAVPIVOCRKKOGW-QMMMGPOBSA-N 0 3 185.267 1.422 20 0 ADADHN COC(=O)CN1C[C@@H](C)CC1(C)C 306513082 168091152 /nfs/dbraw/zinc/09/11/52/168091152.db2.gz RPMZGLMMIJXRKZ-QMMMGPOBSA-N 0 3 185.267 1.280 20 0 ADADHN COC(=O)CN1C[C@H]2CCCC[C@H]2C1 307390486 168091303 /nfs/dbraw/zinc/09/13/03/168091303.db2.gz SQOGYJLSWBUROX-AOOOYVTPSA-N 0 3 197.278 1.281 20 0 ADADHN COC(=O)CN1[C@H](C)CCC1(C)C 336304224 168092208 /nfs/dbraw/zinc/09/22/08/168092208.db2.gz CAVPIVOCRKKOGW-MRVPVSSYSA-N 0 3 185.267 1.422 20 0 ADADHN COC(=O)CN1CC[C@@H]2CCCC[C@@H]21 111250434 168092367 /nfs/dbraw/zinc/09/23/67/168092367.db2.gz YVNHJAPLQWNOQS-UWVGGRQHSA-N 0 3 197.278 1.424 20 0 ADADHN COC(=O)C[C@@](C)(N)c1ccccc1 86851621 168094244 /nfs/dbraw/zinc/09/42/44/168094244.db2.gz GCSLBFMKJPBNFV-LLVKDONJSA-N 0 3 193.246 1.424 20 0 in-vitro ADADHN COC(=O)C[C@](C)(N)c1ccccc1 86851622 168096244 /nfs/dbraw/zinc/09/62/44/168096244.db2.gz GCSLBFMKJPBNFV-NSHDSACASA-N 0 3 193.246 1.424 20 0 in-vitro ADADHN COC(=O)NCc1ccccc1CN 61841222 168102322 /nfs/dbraw/zinc/10/23/22/168102322.db2.gz DNTBGVBCUVDNGK-UHFFFAOYSA-N 0 3 194.234 1.001 20 0 ADADHN COC(=O)[C@@H](C)N1CCCC[C@H](C)C1 336078635 168105733 /nfs/dbraw/zinc/10/57/33/168105733.db2.gz OFIVJMUTNQZPRG-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)[C@@H](C)N1CCCC[C@@H](C)C1 336078423 168105931 /nfs/dbraw/zinc/10/59/31/168105931.db2.gz OFIVJMUTNQZPRG-NXEZZACHSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)[C@H](C)N1CCCC[C@H](C)C1 336078424 168116657 /nfs/dbraw/zinc/11/66/57/168116657.db2.gz OFIVJMUTNQZPRG-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)[C@H](C)N1CCCCCCC1 49956494 168116935 /nfs/dbraw/zinc/11/69/35/168116935.db2.gz VQCLDGBCXWACRM-JTQLQIEISA-N 0 3 199.294 1.814 20 0 ADADHN COC(=O)[C@H](C)N1CCCC[C@@H](C)C1 336078636 168117975 /nfs/dbraw/zinc/11/79/75/168117975.db2.gz OFIVJMUTNQZPRG-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)c1ccc(CNC(C)C)o1 34981170 168132588 /nfs/dbraw/zinc/13/25/88/168132588.db2.gz IZZAQRLSBNFJBA-UHFFFAOYSA-N 0 3 197.234 1.564 20 0 ADADHN COC(CN1CCCCC1)OC 8378333 168140270 /nfs/dbraw/zinc/14/02/70/168140270.db2.gz MJGOGSOZYPJOSG-UHFFFAOYSA-N 0 3 173.256 1.091 20 0 ADADHN COC1(C)CN(C[C@H]2CCCOC2)C1 335613326 168143201 /nfs/dbraw/zinc/14/32/01/168143201.db2.gz UXYQCNPDSARBBS-SNVBAGLBSA-N 0 3 199.294 1.134 20 0 ADADHN COC1(C)CN(C[C@@H]2C[C@@H]2C)C1 334646477 168143522 /nfs/dbraw/zinc/14/35/22/168143522.db2.gz QDYBDGOSDVBTON-IUCAKERBSA-N 0 3 169.268 1.363 20 0 ADADHN COC1(C)CN(C[C@H]2C[C@H]2C)C1 334646480 168143798 /nfs/dbraw/zinc/14/37/98/168143798.db2.gz QDYBDGOSDVBTON-RKDXNWHRSA-N 0 3 169.268 1.363 20 0 ADADHN COC1(C)CN(C[C@@H]2CCCOC2)C1 335613324 168144161 /nfs/dbraw/zinc/14/41/61/168144161.db2.gz UXYQCNPDSARBBS-JTQLQIEISA-N 0 3 199.294 1.134 20 0 ADADHN COC1(C)CN(C[C@@H]2C[C@H]2C)C1 334646471 168144488 /nfs/dbraw/zinc/14/44/88/168144488.db2.gz QDYBDGOSDVBTON-BDAKNGLRSA-N 0 3 169.268 1.363 20 0 ADADHN COC1(C)CN(C[C@H]2C[C@@H]2C)C1 334646474 168144578 /nfs/dbraw/zinc/14/45/78/168144578.db2.gz QDYBDGOSDVBTON-DTWKUNHWSA-N 0 3 169.268 1.363 20 0 ADADHN COC1CC(N[C@H]2CCC[C@H]2F)C1 336319994 168145554 /nfs/dbraw/zinc/14/55/54/168145554.db2.gz OKMSOBXHNSHBBJ-BMNUFHGDSA-N 0 3 187.258 1.644 20 0 ADADHN COC1CC(N[C@@H]2CCC[C@@H]2F)C1 335370757 168145985 /nfs/dbraw/zinc/14/59/85/168145985.db2.gz OKMSOBXHNSHBBJ-HORUIINNSA-N 0 3 187.258 1.644 20 0 ADADHN COC1CCN(Cc2cnc[nH]2)CC1 336472585 168146452 /nfs/dbraw/zinc/14/64/52/168146452.db2.gz VFECYGJGSQKDDQ-UHFFFAOYSA-N 0 3 195.266 1.021 20 0 ADADHN CN[C@@H]1CCCc2c(OC)ccnc21 95221079 168041707 /nfs/dbraw/zinc/04/17/07/168041707.db2.gz VZVOMKZWBYHONL-SECBINFHSA-N 0 3 192.262 1.687 20 0 ADADHN COCCCNCc1c(C)noc1C 20253310 168155737 /nfs/dbraw/zinc/15/57/37/168155737.db2.gz DJBRPSDAXJUZON-UHFFFAOYSA-N 0 3 198.266 1.418 20 0 ADADHN COCCCNCc1ccc(C)o1 20142216 168155869 /nfs/dbraw/zinc/15/58/69/168155869.db2.gz URCOJYXSEQKLOM-UHFFFAOYSA-N 0 3 183.251 1.714 20 0 ADADHN COCCCN[C@H](C)c1ccco1 20142409 168156458 /nfs/dbraw/zinc/15/64/58/168156458.db2.gz ULGSYAJCCOEFPH-SECBINFHSA-N 0 3 183.251 1.967 20 0 ADADHN COCCCN[C@@H](C)c1ccco1 20142407 168157110 /nfs/dbraw/zinc/15/71/10/168157110.db2.gz ULGSYAJCCOEFPH-VIFPVBQESA-N 0 3 183.251 1.967 20 0 ADADHN COCCN1CCC(F)(F)[C@H](C)C1 306208871 168160847 /nfs/dbraw/zinc/16/08/47/168160847.db2.gz RXEWROOTZYJZBF-MRVPVSSYSA-N 0 3 193.237 1.610 20 0 ADADHN COCCN1CCC(F)(F)[C@@H](C)C1 306208872 168161767 /nfs/dbraw/zinc/16/17/67/168161767.db2.gz RXEWROOTZYJZBF-QMMMGPOBSA-N 0 3 193.237 1.610 20 0 ADADHN COCCN1CCS[C@@H](C)[C@H]1C 335890519 168162380 /nfs/dbraw/zinc/16/23/80/168162380.db2.gz XQSBOCGDFYTNGP-BDAKNGLRSA-N 0 3 189.324 1.459 20 0 ADADHN COCCN1CCS[C@@H](C)[C@@H]1C 335890521 168162431 /nfs/dbraw/zinc/16/24/31/168162431.db2.gz XQSBOCGDFYTNGP-IUCAKERBSA-N 0 3 189.324 1.459 20 0 ADADHN COCCN1C[C@H](C)OC2(CCC2)C1 335463422 168162622 /nfs/dbraw/zinc/16/26/22/168162622.db2.gz SBZYOZHCMWISPQ-JTQLQIEISA-N 0 3 199.294 1.276 20 0 ADADHN COCCN1C[C@H](C)S[C@H](C)C1 335845073 168162775 /nfs/dbraw/zinc/16/27/75/168162775.db2.gz NNWJVYFQGIUVSL-DTORHVGOSA-N 0 3 189.324 1.459 20 0 ADADHN COCCN1CC[C@@](C)(F)C1 307324291 168162935 /nfs/dbraw/zinc/16/29/35/168162935.db2.gz RVLLFTOSCVCGCQ-MRVPVSSYSA-N 0 3 161.220 1.067 20 0 ADADHN COCCN1CCSC[C@@H]1C 335492136 168163322 /nfs/dbraw/zinc/16/33/22/168163322.db2.gz BUAVLCZZJXZUSC-QMMMGPOBSA-N 0 3 175.297 1.070 20 0 ADADHN COCCN1CCCc2occc2C1 335993725 168163458 /nfs/dbraw/zinc/16/34/58/168163458.db2.gz QJFQBPVYYVTQBA-UHFFFAOYSA-N 0 3 195.262 1.674 20 0 ADADHN COCCN1CC[C@](C)(F)C1 307324297 168163583 /nfs/dbraw/zinc/16/35/83/168163583.db2.gz RVLLFTOSCVCGCQ-QMMMGPOBSA-N 0 3 161.220 1.067 20 0 ADADHN COCCN1C[C@@H](C)OC2(CCC2)C1 335463424 168163659 /nfs/dbraw/zinc/16/36/59/168163659.db2.gz SBZYOZHCMWISPQ-SNVBAGLBSA-N 0 3 199.294 1.276 20 0 ADADHN COCCN1CCc2ccsc2C1 307581680 168163839 /nfs/dbraw/zinc/16/38/39/168163839.db2.gz RTRMRVGCTGOOOT-UHFFFAOYSA-N 0 3 197.303 1.753 20 0 ADADHN COCCN1C[C@H](C)S[C@@H](C)C1 335845074 168163949 /nfs/dbraw/zinc/16/39/49/168163949.db2.gz NNWJVYFQGIUVSL-IUCAKERBSA-N 0 3 189.324 1.459 20 0 ADADHN COCCN1CCS[C@H](C)[C@@H]1C 335890520 168164080 /nfs/dbraw/zinc/16/40/80/168164080.db2.gz XQSBOCGDFYTNGP-DTWKUNHWSA-N 0 3 189.324 1.459 20 0 ADADHN COCCN1CCSC(C)(C)C1 336552777 168164125 /nfs/dbraw/zinc/16/41/25/168164125.db2.gz UGHQJJXVBTVLEZ-UHFFFAOYSA-N 0 3 189.324 1.460 20 0 ADADHN COCCN1CCOCC2(CCC2)C1 334502482 168164550 /nfs/dbraw/zinc/16/45/50/168164550.db2.gz RZNNMUOBCPKBBQ-UHFFFAOYSA-N 0 3 199.294 1.135 20 0 ADADHN COCCN1CCOCC12CCCC2 334832728 168164756 /nfs/dbraw/zinc/16/47/56/168164756.db2.gz FUMROJPFGLPJCH-UHFFFAOYSA-N 0 3 199.294 1.278 20 0 ADADHN COCCN1CCS[C@H](C)C1 335555851 168164858 /nfs/dbraw/zinc/16/48/58/168164858.db2.gz IUQXTJVHTUONSH-MRVPVSSYSA-N 0 3 175.297 1.070 20 0 ADADHN COCCN1C[C@@H](C)S[C@H](C)C1 335845075 168164946 /nfs/dbraw/zinc/16/49/46/168164946.db2.gz NNWJVYFQGIUVSL-RKDXNWHRSA-N 0 3 189.324 1.459 20 0 ADADHN COCCN1CCS[C@H](C)[C@H]1C 335890522 168164993 /nfs/dbraw/zinc/16/49/93/168164993.db2.gz XQSBOCGDFYTNGP-RKDXNWHRSA-N 0 3 189.324 1.459 20 0 ADADHN COCCN1CCSC[C@H]1C 335492134 168165010 /nfs/dbraw/zinc/16/50/10/168165010.db2.gz BUAVLCZZJXZUSC-MRVPVSSYSA-N 0 3 175.297 1.070 20 0 ADADHN COCCNC/C=C\c1ccccc1 35535636 168166303 /nfs/dbraw/zinc/16/63/03/168166303.db2.gz WBCLIMQLSCPAIZ-YVMONPNESA-N 0 3 191.274 1.936 20 0 ADADHN COCCNCc1cc(F)ccc1C 62665633 168167346 /nfs/dbraw/zinc/16/73/46/168167346.db2.gz GOYGDSZWRMRKLI-UHFFFAOYSA-N 0 3 197.253 1.870 20 0 ADADHN COCCN[C@H](C)c1ccc(C)o1 19881435 168167644 /nfs/dbraw/zinc/16/76/44/168167644.db2.gz HCUNXTWHQUNBOT-SECBINFHSA-N 0 3 183.251 1.885 20 0 ADADHN COCCNCc1cccn1C1CC1 45205860 168167672 /nfs/dbraw/zinc/16/76/72/168167672.db2.gz RFAPGADZWXMUDK-UHFFFAOYSA-N 0 3 194.278 1.559 20 0 ADADHN COCCNCc1cccnc1C 82420311 168167779 /nfs/dbraw/zinc/16/77/79/168167779.db2.gz YCGQYQDKXFEDEU-UHFFFAOYSA-N 0 3 180.251 1.126 20 0 ADADHN COCCN[C@@H](C)c1ccncc1 19881362 168167857 /nfs/dbraw/zinc/16/78/57/168167857.db2.gz UPDQADFMUINLQK-VIFPVBQESA-N 0 3 180.251 1.379 20 0 ADADHN COCCN[C@@H](C)c1cccc(O)c1 19881575 168167879 /nfs/dbraw/zinc/16/78/79/168167879.db2.gz DXTBBWFOZWULBP-VIFPVBQESA-N 0 3 195.262 1.689 20 0 ADADHN COCCNCc1cccc(C)c1F 83342754 168167915 /nfs/dbraw/zinc/16/79/15/168167915.db2.gz AQKZGQKCUMMRNV-UHFFFAOYSA-N 0 3 197.253 1.870 20 0 ADADHN COCCN[C@H](C)c1ccncc1 19881364 168167932 /nfs/dbraw/zinc/16/79/32/168167932.db2.gz UPDQADFMUINLQK-SECBINFHSA-N 0 3 180.251 1.379 20 0 ADADHN COCCN[C@H](C)c1cccnc1 19881369 168168019 /nfs/dbraw/zinc/16/80/19/168168019.db2.gz LLYOBZNTHYKOFP-SECBINFHSA-N 0 3 180.251 1.379 20 0 ADADHN COCCN[C@H](C)c1ccccn1 19881360 168168107 /nfs/dbraw/zinc/16/81/07/168168107.db2.gz KJDRTCJIOWBBLL-SECBINFHSA-N 0 3 180.251 1.379 20 0 ADADHN COCCN[C@@H]1CCc2ccccc21 19881428 168168268 /nfs/dbraw/zinc/16/82/68/168168268.db2.gz BGBGBXCFLANKJU-GFCCVEGCSA-N 0 3 191.274 1.910 20 0 ADADHN COCCNCc1cccc(C)c1 4700599 168168292 /nfs/dbraw/zinc/16/82/92/168168292.db2.gz TUQYIODQEMPRGA-UHFFFAOYSA-N 0 3 179.263 1.731 20 0 ADADHN COCCN[C@@H](C)c1cccnc1 19881366 168168638 /nfs/dbraw/zinc/16/86/38/168168638.db2.gz LLYOBZNTHYKOFP-VIFPVBQESA-N 0 3 180.251 1.379 20 0 ADADHN COCCN[C@H](C)c1cccc(O)c1 19881577 168168756 /nfs/dbraw/zinc/16/87/56/168168756.db2.gz DXTBBWFOZWULBP-SECBINFHSA-N 0 3 195.262 1.689 20 0 ADADHN COCCN[C@@H](C)c1ccc(C)o1 19881433 168168794 /nfs/dbraw/zinc/16/87/94/168168794.db2.gz HCUNXTWHQUNBOT-VIFPVBQESA-N 0 3 183.251 1.885 20 0 ADADHN COCCN[C@H]1CCc2ccccc21 19881431 168168863 /nfs/dbraw/zinc/16/88/63/168168863.db2.gz BGBGBXCFLANKJU-LBPRGKRZSA-N 0 3 191.274 1.910 20 0 ADADHN COCCN[C@@H](C)c1ccccn1 19881359 168168916 /nfs/dbraw/zinc/16/89/16/168168916.db2.gz KJDRTCJIOWBBLL-VIFPVBQESA-N 0 3 180.251 1.379 20 0 ADADHN COCC[C@@H](C)NCc1cc(C)no1 45039079 168173047 /nfs/dbraw/zinc/17/30/47/168173047.db2.gz SJOUVUCTMXAICO-MRVPVSSYSA-N 0 3 198.266 1.498 20 0 ADADHN COCC[C@@H](C)NCc1c[nH]nc1C 45037404 168173173 /nfs/dbraw/zinc/17/31/73/168173173.db2.gz IWWGNNUFXUGKMF-MRVPVSSYSA-N 0 3 197.282 1.233 20 0 ADADHN COCC[C@H](C)NCc1c[nH]nc1C 45037400 168173219 /nfs/dbraw/zinc/17/32/19/168173219.db2.gz IWWGNNUFXUGKMF-QMMMGPOBSA-N 0 3 197.282 1.233 20 0 ADADHN COCC[C@@H]1NCc2ccccc21 83389374 168173482 /nfs/dbraw/zinc/17/34/82/168173482.db2.gz XZCIDTUVWRDVHS-NSHDSACASA-N 0 3 177.247 1.867 20 0 ADADHN COCC[C@H](C)NCc1cc(C)no1 45039076 168173944 /nfs/dbraw/zinc/17/39/44/168173944.db2.gz SJOUVUCTMXAICO-QMMMGPOBSA-N 0 3 198.266 1.498 20 0 ADADHN COCC[C@H]1NCc2ccccc21 83389373 168175040 /nfs/dbraw/zinc/17/50/40/168175040.db2.gz XZCIDTUVWRDVHS-LLVKDONJSA-N 0 3 177.247 1.867 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1ccccn1 19904597 168180014 /nfs/dbraw/zinc/18/00/14/168180014.db2.gz BOQDZOQEHKLLDQ-ZJUUUORDSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@@H](C)N1CCOC2(CCC2)C1 334870301 168180161 /nfs/dbraw/zinc/18/01/61/168180161.db2.gz PDLFLTJUIOZDPN-SNVBAGLBSA-N 0 3 199.294 1.276 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1ccncc1 19904605 168180319 /nfs/dbraw/zinc/18/03/19/168180319.db2.gz PLHNPLGQDZYOFE-ZJUUUORDSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@@H](C)NCc1cccc(O)c1 19905031 168180361 /nfs/dbraw/zinc/18/03/61/168180361.db2.gz WGVUOBTZYLDZAY-SECBINFHSA-N 0 3 195.262 1.517 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1cnn(C)c1 44494382 168180515 /nfs/dbraw/zinc/18/05/15/168180515.db2.gz GZXJMILPORQTQS-BDAKNGLRSA-N 0 3 197.282 1.106 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1ccco1 19904683 168180542 /nfs/dbraw/zinc/18/05/42/168180542.db2.gz GPDLKCLETBGXHY-RKDXNWHRSA-N 0 3 183.251 1.965 20 0 ADADHN COC[C@@H](C)NCc1ccncc1 19904442 168180697 /nfs/dbraw/zinc/18/06/97/168180697.db2.gz ZPNDSFILIUCOMD-SECBINFHSA-N 0 3 180.251 1.206 20 0 ADADHN COC[C@@H](C)NCc1ccc(O)cc1 19904325 168180763 /nfs/dbraw/zinc/18/07/63/168180763.db2.gz FCSAQGYRPXPGDA-SECBINFHSA-N 0 3 195.262 1.517 20 0 ADADHN COC[C@@H](C)N1CCSCC1 335492371 168181015 /nfs/dbraw/zinc/18/10/15/168181015.db2.gz JMVITYFVJNGCKN-MRVPVSSYSA-N 0 3 175.297 1.070 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1ccccn1 19904601 168181190 /nfs/dbraw/zinc/18/11/90/168181190.db2.gz BOQDZOQEHKLLDQ-NXEZZACHSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1cnn(C)c1 44494384 168181195 /nfs/dbraw/zinc/18/11/95/168181195.db2.gz GZXJMILPORQTQS-RKDXNWHRSA-N 0 3 197.282 1.106 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1cccnc1 19904615 168181233 /nfs/dbraw/zinc/18/12/33/168181233.db2.gz NLXQAKJJIHIHAV-NXEZZACHSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@@H](C)N1CC[C@](C)(F)C1 306527586 168181422 /nfs/dbraw/zinc/18/14/22/168181422.db2.gz YASKKPBEIWHROK-BDAKNGLRSA-N 0 3 175.247 1.455 20 0 ADADHN COC[C@@H](C)N1CC[C@@](C)(F)C1 306527589 168181463 /nfs/dbraw/zinc/18/14/63/168181463.db2.gz YASKKPBEIWHROK-RKDXNWHRSA-N 0 3 175.247 1.455 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1ccco1 19904681 168181512 /nfs/dbraw/zinc/18/15/12/168181512.db2.gz GPDLKCLETBGXHY-BDAKNGLRSA-N 0 3 183.251 1.965 20 0 ADADHN COC[C@@H](C)N[C@H](C)c1ccncc1 19904609 168181626 /nfs/dbraw/zinc/18/16/26/168181626.db2.gz PLHNPLGQDZYOFE-NXEZZACHSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@@H](C)N[C@@H](C)c1cccnc1 19904612 168181756 /nfs/dbraw/zinc/18/17/56/168181756.db2.gz NLXQAKJJIHIHAV-ZJUUUORDSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@@H](C)NCc1cccnc1 19904424 168181884 /nfs/dbraw/zinc/18/18/84/168181884.db2.gz FZELXWKXJZOCND-SECBINFHSA-N 0 3 180.251 1.206 20 0 ADADHN COC[C@@H](C)N1CCS[C@H](C)C1 335540001 168181901 /nfs/dbraw/zinc/18/19/01/168181901.db2.gz HFRGZGJGWZYYNI-RKDXNWHRSA-N 0 3 189.324 1.459 20 0 ADADHN COC[C@@H](C)NCc1cccn1C 20360058 168181946 /nfs/dbraw/zinc/18/19/46/168181946.db2.gz WMWQRRMHQAEEMN-SECBINFHSA-N 0 3 182.267 1.150 20 0 ADADHN COC[C@@H](C)NCc1ccccn1 19905111 168181967 /nfs/dbraw/zinc/18/19/67/168181967.db2.gz WKROBQQNAHMEIU-SECBINFHSA-N 0 3 180.251 1.206 20 0 ADADHN COC[C@@H](C)NCc1ccsc1 19904451 168181986 /nfs/dbraw/zinc/18/19/86/168181986.db2.gz JTLWJPLPVOTGFO-MRVPVSSYSA-N 0 3 185.292 1.873 20 0 ADADHN COC[C@@H](C)N1CC[C@H](F)C1 334698827 168182018 /nfs/dbraw/zinc/18/20/18/168182018.db2.gz FAZWQHRVRYJFRC-SFYZADRCSA-N 0 3 161.220 1.065 20 0 ADADHN COC[C@@H](N)c1cc(C)ccc1C 19255167 168182171 /nfs/dbraw/zinc/18/21/71/168182171.db2.gz OMHXOYQQRWBJGZ-LLVKDONJSA-N 0 3 179.263 1.950 20 0 ADADHN COC[C@@H](N)c1cc(F)ccc1F 23068421 168184126 /nfs/dbraw/zinc/18/41/26/168184126.db2.gz SIXAHZUTKFJHJI-SECBINFHSA-N 0 3 187.189 1.611 20 0 ADADHN COC[C@@H]1CN(C2CCCC2)CCO1 335525018 168184816 /nfs/dbraw/zinc/18/48/16/168184816.db2.gz NCOHAPXOPWLUMN-NSHDSACASA-N 0 3 199.294 1.276 20 0 ADADHN COC[C@@H]1CN(C(C)C)C[C@@H](C)O1 307535901 168186277 /nfs/dbraw/zinc/18/62/77/168186277.db2.gz NUJZQOIACOZMLS-ZJUUUORDSA-N 0 3 187.283 1.131 20 0 ADADHN COC[C@@H]1CN(C(C)C)C[C@H](C)O1 307535869 168186311 /nfs/dbraw/zinc/18/63/11/168186311.db2.gz NUJZQOIACOZMLS-UWVGGRQHSA-N 0 3 187.283 1.131 20 0 ADADHN COC[C@H](C)N1CCSCC1 335492372 168186786 /nfs/dbraw/zinc/18/67/86/168186786.db2.gz JMVITYFVJNGCKN-QMMMGPOBSA-N 0 3 175.297 1.070 20 0 ADADHN COC[C@H](C)N1CCS[C@H](C)C1 335539996 168187220 /nfs/dbraw/zinc/18/72/20/168187220.db2.gz HFRGZGJGWZYYNI-DTWKUNHWSA-N 0 3 189.324 1.459 20 0 ADADHN COC[C@H](C)N1CCOC2(CCC2)C1 334870299 168187259 /nfs/dbraw/zinc/18/72/59/168187259.db2.gz PDLFLTJUIOZDPN-JTQLQIEISA-N 0 3 199.294 1.276 20 0 ADADHN COC[C@H](C)N1CC[C@H](F)C1 334698829 168187790 /nfs/dbraw/zinc/18/77/90/168187790.db2.gz FAZWQHRVRYJFRC-YUMQZZPRSA-N 0 3 161.220 1.065 20 0 ADADHN COC[C@H](C)N1CC[C@@](C)(F)C1 306527587 168188030 /nfs/dbraw/zinc/18/80/30/168188030.db2.gz YASKKPBEIWHROK-DTWKUNHWSA-N 0 3 175.247 1.455 20 0 ADADHN COC[C@H](C)N1CC[C@](C)(F)C1 306527588 168188523 /nfs/dbraw/zinc/18/85/23/168188523.db2.gz YASKKPBEIWHROK-IUCAKERBSA-N 0 3 175.247 1.455 20 0 ADADHN COC[C@H](C)N[C@H](C)c1ccco1 19904684 168188959 /nfs/dbraw/zinc/18/89/59/168188959.db2.gz GPDLKCLETBGXHY-DTWKUNHWSA-N 0 3 183.251 1.965 20 0 ADADHN COC[C@H](C)N[C@H](C)c1cccnc1 19904617 168189081 /nfs/dbraw/zinc/18/90/81/168189081.db2.gz NLXQAKJJIHIHAV-VHSXEESVSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@H](C)NCc1cccc(O)c1 19905032 168189107 /nfs/dbraw/zinc/18/91/07/168189107.db2.gz WGVUOBTZYLDZAY-VIFPVBQESA-N 0 3 195.262 1.517 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1cccnc1 19904614 168189121 /nfs/dbraw/zinc/18/91/21/168189121.db2.gz NLXQAKJJIHIHAV-UWVGGRQHSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@H](C)NCc1cccnc1 19904426 168189128 /nfs/dbraw/zinc/18/91/28/168189128.db2.gz FZELXWKXJZOCND-VIFPVBQESA-N 0 3 180.251 1.206 20 0 ADADHN COC[C@H](C)N[C@H](C)c1cnn(C)c1 44494383 168189163 /nfs/dbraw/zinc/18/91/63/168189163.db2.gz GZXJMILPORQTQS-DTWKUNHWSA-N 0 3 197.282 1.106 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1ccccn1 19904599 168189266 /nfs/dbraw/zinc/18/92/66/168189266.db2.gz BOQDZOQEHKLLDQ-UWVGGRQHSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@H](C)NCc1ccncc1 19904444 168189368 /nfs/dbraw/zinc/18/93/68/168189368.db2.gz ZPNDSFILIUCOMD-VIFPVBQESA-N 0 3 180.251 1.206 20 0 ADADHN COC[C@H](C)NCc1ccsc1 19904453 168189379 /nfs/dbraw/zinc/18/93/79/168189379.db2.gz JTLWJPLPVOTGFO-QMMMGPOBSA-N 0 3 185.292 1.873 20 0 ADADHN COC[C@H](C)NCc1ccccn1 19905113 168189457 /nfs/dbraw/zinc/18/94/57/168189457.db2.gz WKROBQQNAHMEIU-VIFPVBQESA-N 0 3 180.251 1.206 20 0 ADADHN COC[C@H](C)N[C@H](C)c1ccccn1 19904603 168189559 /nfs/dbraw/zinc/18/95/59/168189559.db2.gz BOQDZOQEHKLLDQ-VHSXEESVSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1ccncc1 19904607 168189745 /nfs/dbraw/zinc/18/97/45/168189745.db2.gz PLHNPLGQDZYOFE-UWVGGRQHSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1ccco1 19904682 168189768 /nfs/dbraw/zinc/18/97/68/168189768.db2.gz GPDLKCLETBGXHY-IUCAKERBSA-N 0 3 183.251 1.965 20 0 ADADHN COC[C@H](C)N[C@@H](C)c1cnn(C)c1 44494381 168189781 /nfs/dbraw/zinc/18/97/81/168189781.db2.gz GZXJMILPORQTQS-IUCAKERBSA-N 0 3 197.282 1.106 20 0 ADADHN COC[C@H](C)N[C@H](C)c1ccncc1 19904611 168189794 /nfs/dbraw/zinc/18/97/94/168189794.db2.gz PLHNPLGQDZYOFE-VHSXEESVSA-N 0 3 194.278 1.767 20 0 ADADHN COC[C@H](C)NCc1cccn1C 20360060 168189827 /nfs/dbraw/zinc/18/98/27/168189827.db2.gz WMWQRRMHQAEEMN-VIFPVBQESA-N 0 3 182.267 1.150 20 0 ADADHN COC[C@H](C)NCc1ccc(O)cc1 19904326 168190139 /nfs/dbraw/zinc/19/01/39/168190139.db2.gz FCSAQGYRPXPGDA-VIFPVBQESA-N 0 3 195.262 1.517 20 0 ADADHN COC[C@H]1CN(C(C)C)C[C@@H](C)O1 307535853 168191002 /nfs/dbraw/zinc/19/10/02/168191002.db2.gz NUJZQOIACOZMLS-NXEZZACHSA-N 0 3 187.283 1.131 20 0 ADADHN COC[C@H](N)c1cc(F)ccc1F 23068422 168191104 /nfs/dbraw/zinc/19/11/04/168191104.db2.gz SIXAHZUTKFJHJI-VIFPVBQESA-N 0 3 187.189 1.611 20 0 ADADHN COC[C@H]1CN(C(C)C)C[C@H](C)O1 307535891 168191430 /nfs/dbraw/zinc/19/14/30/168191430.db2.gz NUJZQOIACOZMLS-VHSXEESVSA-N 0 3 187.283 1.131 20 0 ADADHN COC[C@H](N)c1cc(C)ccc1C 19255169 168191585 /nfs/dbraw/zinc/19/15/85/168191585.db2.gz OMHXOYQQRWBJGZ-NSHDSACASA-N 0 3 179.263 1.950 20 0 ADADHN COC[C@H]1CN(C2CCCC2)CCO1 335525017 168193355 /nfs/dbraw/zinc/19/33/55/168193355.db2.gz NCOHAPXOPWLUMN-LLVKDONJSA-N 0 3 199.294 1.276 20 0 ADADHN COCc1ccc(CNC(C)C)o1 45206756 168194265 /nfs/dbraw/zinc/19/42/65/168194265.db2.gz NXRIRUNIGIUQMC-UHFFFAOYSA-N 0 3 183.251 1.924 20 0 ADADHN COCc1ccc(CNC2CC2)o1 45206757 168194992 /nfs/dbraw/zinc/19/49/92/168194992.db2.gz SIWLKWYRSJMOLO-UHFFFAOYSA-N 0 3 181.235 1.678 20 0 ADADHN Cc1ccncc1CN[C@@H]1CCOC1 135466971 343963703 /nfs/dbraw/zinc/96/37/03/343963703.db2.gz XRYLXELNMHPBAZ-LLVKDONJSA-N 0 3 192.262 1.269 20 0 ADADHN CO[C@@H](CN)c1nc(C)cs1 20418284 168205042 /nfs/dbraw/zinc/20/50/42/168205042.db2.gz ZWWXRAQRZRKTKQ-LURJTMIESA-N 0 3 172.253 1.098 20 0 ADADHN CO[C@@H]1CCCN(C[C@@H]2CCCO2)C1 336631498 168205648 /nfs/dbraw/zinc/20/56/48/168205648.db2.gz HGLQMHOKURNZMO-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@@H]1CCCN(C[C@H]2CCCO2)C1 334960253 168206092 /nfs/dbraw/zinc/20/60/92/168206092.db2.gz HGLQMHOKURNZMO-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@@H]1CCCN(Cc2cnc[nH]2)C1 334362776 168206445 /nfs/dbraw/zinc/20/64/45/168206445.db2.gz KXJWJWLUVJFMIL-SNVBAGLBSA-N 0 3 195.266 1.021 20 0 ADADHN CO[C@@H]1CCCN(Cc2ccco2)C1 336326696 168206579 /nfs/dbraw/zinc/20/65/79/168206579.db2.gz BIKSHMFGIRUCCF-SNVBAGLBSA-N 0 3 195.262 1.890 20 0 ADADHN CO[C@@H]1CCN(Cc2ccoc2C)C1 334839808 168206998 /nfs/dbraw/zinc/20/69/98/168206998.db2.gz BGHJTXYONNHPNP-LLVKDONJSA-N 0 3 195.262 1.809 20 0 ADADHN CO[C@@H]1CCN(Cc2ccncc2)C1 334429277 168207167 /nfs/dbraw/zinc/20/71/67/168207167.db2.gz YWDDOBSZHIANGF-LLVKDONJSA-N 0 3 192.262 1.302 20 0 ADADHN CO[C@@H]1CCN(CC2=CCCOC2)C1 335796279 168207260 /nfs/dbraw/zinc/20/72/60/168207260.db2.gz SYSCARRIRIVAMA-LLVKDONJSA-N 0 3 197.278 1.054 20 0 ADADHN CO[C@@H]1CCN(Cc2ccco2)C1 307698676 168207534 /nfs/dbraw/zinc/20/75/34/168207534.db2.gz IJVHWOAERGZRHT-SECBINFHSA-N 0 3 181.235 1.500 20 0 ADADHN CO[C@@H]1CCC[C@H]1NCc1c[nH]cn1 54765306 168207845 /nfs/dbraw/zinc/20/78/45/168207845.db2.gz OLOZHKDUVUABBZ-NXEZZACHSA-N 0 3 195.266 1.067 20 0 ADADHN CO[C@@H]1CCC[C@H]1NCc1cnc[nH]1 54765306 168207848 /nfs/dbraw/zinc/20/78/48/168207848.db2.gz OLOZHKDUVUABBZ-NXEZZACHSA-N 0 3 195.266 1.067 20 0 ADADHN CO[C@@H]1CCN(Cc2ccc(C)o2)C1 334297002 168207901 /nfs/dbraw/zinc/20/79/01/168207901.db2.gz ADNXNZLCCZAFTA-SNVBAGLBSA-N 0 3 195.262 1.809 20 0 ADADHN CO[C@@H]1CCC[C@H]1NCc1ccco1 49948878 168208223 /nfs/dbraw/zinc/20/82/23/168208223.db2.gz MOFHDXWZYWGQPQ-GHMZBOCLSA-N 0 3 195.262 1.937 20 0 ADADHN CO[C@@H]1CCN(Cc2occc2C)C1 334254553 168208292 /nfs/dbraw/zinc/20/82/92/168208292.db2.gz DKTJVSFOLQEPFN-SNVBAGLBSA-N 0 3 195.262 1.809 20 0 ADADHN CO[C@@H]1CCN(C[C@@H]2CCCCO2)C1 335294715 168208402 /nfs/dbraw/zinc/20/84/02/168208402.db2.gz HGFZAPDUSGQMJO-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@@H]1CCN(Cc2cccn2C)C1 334428492 168208482 /nfs/dbraw/zinc/20/84/82/168208482.db2.gz YCIIHQGFJNEAAY-LLVKDONJSA-N 0 3 194.278 1.246 20 0 ADADHN CO[C@@H]1CCN(C[C@H]2CCCCO2)C1 335294714 168208498 /nfs/dbraw/zinc/20/84/98/168208498.db2.gz HGFZAPDUSGQMJO-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@@H]1CCN(Cc2ccccc2)C1 95931101 168208562 /nfs/dbraw/zinc/20/85/62/168208562.db2.gz QTKGPIMTYKXKPS-GFCCVEGCSA-N 0 3 191.274 1.907 20 0 ADADHN CO[C@@H]1CCN(Cc2ccn(C)c2)C1 334435725 168208951 /nfs/dbraw/zinc/20/89/51/168208951.db2.gz PBFMIIIBLXZEIL-LLVKDONJSA-N 0 3 194.278 1.246 20 0 ADADHN CO[C@H](C)CN1CC[C@](C)(F)C1 307514743 168213113 /nfs/dbraw/zinc/21/31/13/168213113.db2.gz RUSCGQLPMQOTSR-BDAKNGLRSA-N 0 3 175.247 1.455 20 0 ADADHN CO[C@H](C)CN1CCSC[C@H]1C 335520496 168213119 /nfs/dbraw/zinc/21/31/19/168213119.db2.gz XSQLZWMDBKLLLK-RKDXNWHRSA-N 0 3 189.324 1.459 20 0 ADADHN CO[C@H](C)CN1CCSC[C@@H]1C 335520494 168213139 /nfs/dbraw/zinc/21/31/39/168213139.db2.gz XSQLZWMDBKLLLK-DTWKUNHWSA-N 0 3 189.324 1.459 20 0 ADADHN CO[C@H](C)CN1CC[C@H](F)C1 336263008 168213364 /nfs/dbraw/zinc/21/33/64/168213364.db2.gz MJENMFQGYMHZQV-SFYZADRCSA-N 0 3 161.220 1.065 20 0 ADADHN CO[C@H](C)CN1CCOC2(CCC2)C1 334320605 168213407 /nfs/dbraw/zinc/21/34/07/168213407.db2.gz VWKHPULMZJEBKR-SNVBAGLBSA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@H](C)CN1CC[C@@H](F)C1 336263006 168213542 /nfs/dbraw/zinc/21/35/42/168213542.db2.gz MJENMFQGYMHZQV-HTQZYQBOSA-N 0 3 161.220 1.065 20 0 ADADHN CO[C@H](C)CN1CCS[C@H](C)C1 335520451 168213959 /nfs/dbraw/zinc/21/39/59/168213959.db2.gz KQIQVXPGLLXYKZ-RKDXNWHRSA-N 0 3 189.324 1.459 20 0 ADADHN CO[C@H](C)CN1CC[C@@](C)(F)C1 307514746 168213977 /nfs/dbraw/zinc/21/39/77/168213977.db2.gz RUSCGQLPMQOTSR-RKDXNWHRSA-N 0 3 175.247 1.455 20 0 ADADHN CO[C@H](CN)c1nc(C)cs1 20418287 168214136 /nfs/dbraw/zinc/21/41/36/168214136.db2.gz ZWWXRAQRZRKTKQ-ZCFIWIBFSA-N 0 3 172.253 1.098 20 0 ADADHN CO[C@H](C)CN1CCOCC1(C)C 335594478 168214152 /nfs/dbraw/zinc/21/41/52/168214152.db2.gz IFDSNIKOZITTQE-SECBINFHSA-N 0 3 187.283 1.132 20 0 ADADHN CO[C@H]1CCCN(C[C@H]2CCCO2)C1 334960254 168215112 /nfs/dbraw/zinc/21/51/12/168215112.db2.gz HGLQMHOKURNZMO-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@H]1CCCN(C[C@@H]2CCCO2)C1 336631499 168215309 /nfs/dbraw/zinc/21/53/09/168215309.db2.gz HGLQMHOKURNZMO-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@H]1CCCN(Cc2ccco2)C1 336326695 168215914 /nfs/dbraw/zinc/21/59/14/168215914.db2.gz BIKSHMFGIRUCCF-JTQLQIEISA-N 0 3 195.262 1.890 20 0 ADADHN CO[C@H]1CCN(Cc2occc2C)C1 336434097 168216331 /nfs/dbraw/zinc/21/63/31/168216331.db2.gz DKTJVSFOLQEPFN-JTQLQIEISA-N 0 3 195.262 1.809 20 0 ADADHN CO[C@H]1CCN(Cc2cccn2C)C1 334287670 168216484 /nfs/dbraw/zinc/21/64/84/168216484.db2.gz YCIIHQGFJNEAAY-NSHDSACASA-N 0 3 194.278 1.246 20 0 ADADHN CO[C@H]1CCN(C[C@@H]2CCCCO2)C1 336555451 168216600 /nfs/dbraw/zinc/21/66/00/168216600.db2.gz HGFZAPDUSGQMJO-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@H]1CCN(Cc2ccoc2C)C1 334839809 168216666 /nfs/dbraw/zinc/21/66/66/168216666.db2.gz BGHJTXYONNHPNP-NSHDSACASA-N 0 3 195.262 1.809 20 0 ADADHN CO[C@H]1CCN(CC2=CCCOC2)C1 334424576 168216835 /nfs/dbraw/zinc/21/68/35/168216835.db2.gz SYSCARRIRIVAMA-NSHDSACASA-N 0 3 197.278 1.054 20 0 ADADHN CO[C@H]1CCN(Cc2ccc(C)o2)C1 334164918 168216932 /nfs/dbraw/zinc/21/69/32/168216932.db2.gz ADNXNZLCCZAFTA-JTQLQIEISA-N 0 3 195.262 1.809 20 0 ADADHN CO[C@H]1CCN(C[C@H]2CCCCO2)C1 336555452 168216973 /nfs/dbraw/zinc/21/69/73/168216973.db2.gz HGFZAPDUSGQMJO-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CO[C@H]1CCN(Cc2ccco2)C1 306369239 168217237 /nfs/dbraw/zinc/21/72/37/168217237.db2.gz IJVHWOAERGZRHT-VIFPVBQESA-N 0 3 181.235 1.500 20 0 ADADHN CO[C@H]1CCN(Cc2ccn(C)c2)C1 334278175 168217367 /nfs/dbraw/zinc/21/73/67/168217367.db2.gz PBFMIIIBLXZEIL-NSHDSACASA-N 0 3 194.278 1.246 20 0 ADADHN CO[C@H]1CCN(Cc2ccncc2)C1 334288330 168217813 /nfs/dbraw/zinc/21/78/13/168217813.db2.gz YWDDOBSZHIANGF-NSHDSACASA-N 0 3 192.262 1.302 20 0 ADADHN CO[C@H]1CCCN(Cc2cnc[nH]2)C1 334362775 168217883 /nfs/dbraw/zinc/21/78/83/168217883.db2.gz KXJWJWLUVJFMIL-JTQLQIEISA-N 0 3 195.266 1.021 20 0 ADADHN CO[C@H]1Cc2ccccc2[C@H]1N 19257271 168221009 /nfs/dbraw/zinc/22/10/09/168221009.db2.gz IGDBSYLULISNJI-VHSXEESVSA-N 0 3 163.220 1.258 20 0 ADADHN COc1cc(CN(C)C)ccc1N 117647900 168233860 /nfs/dbraw/zinc/23/38/60/168233860.db2.gz DPQIBVKVVGXAPI-UHFFFAOYSA-N 0 3 180.251 1.339 20 0 in-vitro ADADHN COc1cc(Cl)nc(CN)c1 95763874 168234329 /nfs/dbraw/zinc/23/43/29/168234329.db2.gz HCCRIHUOEPMZJY-UHFFFAOYSA-N 0 3 172.615 1.202 20 0 ADADHN COc1cc(CN2CCCC2)ccn1 334521307 168234382 /nfs/dbraw/zinc/23/43/82/168234382.db2.gz FVNONLGYIPVJRW-UHFFFAOYSA-N 0 3 192.262 1.686 20 0 ADADHN COc1cc(F)c([C@@H](C)N)c(F)c1 37903239 168235485 /nfs/dbraw/zinc/23/54/85/168235485.db2.gz QMTBJBIVEQEOIX-RXMQYKEDSA-N 0 3 187.189 1.993 20 0 ADADHN COc1cc(F)c([C@H](C)N)c(F)c1 37903238 168236193 /nfs/dbraw/zinc/23/61/93/168236193.db2.gz QMTBJBIVEQEOIX-YFKPBYRVSA-N 0 3 187.189 1.993 20 0 ADADHN COc1cc(Cl)ncc1CN 238341887 168236337 /nfs/dbraw/zinc/23/63/37/168236337.db2.gz JSPMUZMNXWOZFD-UHFFFAOYSA-N 0 3 172.615 1.202 20 0 ADADHN COc1cc(N)nc2c1NCCC2 95908429 168237048 /nfs/dbraw/zinc/23/70/48/168237048.db2.gz UPFSZAODMVHSBY-UHFFFAOYSA-N 0 3 179.223 1.031 20 0 ADADHN COc1cc2c(c(OC)c1)CCNC2 11597022 168240043 /nfs/dbraw/zinc/24/00/43/168240043.db2.gz NKXWHSXCIHBUCB-UHFFFAOYSA-N 0 3 193.246 1.350 20 0 ADADHN COc1cc2c(cc1O)CNC2 38415952 168240177 /nfs/dbraw/zinc/24/01/77/168240177.db2.gz QAFDCJFBFFHATB-UHFFFAOYSA-N 0 3 165.192 1.004 20 0 ADADHN COc1cc2c(cc1F)CNC2 95803747 168240250 /nfs/dbraw/zinc/24/02/50/168240250.db2.gz NNHSRZDFAFZYCH-UHFFFAOYSA-N 0 3 167.183 1.438 20 0 ADADHN COc1ccc(C2(N)CC2)c(OC)c1 71506328 168247396 /nfs/dbraw/zinc/24/73/96/168247396.db2.gz WCBRRZPJOXUSPO-UHFFFAOYSA-N 0 3 193.246 1.652 20 0 ADADHN COc1ccc(CN)c(Cl)n1 85210395 168248766 /nfs/dbraw/zinc/24/87/66/168248766.db2.gz OVJZMNVPZFEZFE-UHFFFAOYSA-N 0 3 172.615 1.202 20 0 ADADHN COc1ccc(CN[C@@H](C)CO)cc1 35188669 168250484 /nfs/dbraw/zinc/25/04/84/168250484.db2.gz JECRNIMUUGOGMJ-VIFPVBQESA-N 0 3 195.262 1.166 20 0 in-vitro ADADHN COc1ccc(CNC2CC2)cn1 51523721 168250977 /nfs/dbraw/zinc/25/09/77/168250977.db2.gz XGXGCJDIWCRXGX-UHFFFAOYSA-N 0 3 178.235 1.342 20 0 ADADHN COc1ccc(CN2CCCC2)cn1 336144365 168251030 /nfs/dbraw/zinc/25/10/30/168251030.db2.gz FAWLSEZZCKRPKT-UHFFFAOYSA-N 0 3 192.262 1.686 20 0 ADADHN COc1ccc(CNC2CC2)cc1O 22147932 168251217 /nfs/dbraw/zinc/25/12/17/168251217.db2.gz MMPQJDKJOIHAEF-UHFFFAOYSA-N 0 3 193.246 1.653 20 0 ADADHN COc1ccc(CN[C@H](C)CO)cc1 35188670 168251879 /nfs/dbraw/zinc/25/18/79/168251879.db2.gz JECRNIMUUGOGMJ-SECBINFHSA-N 0 3 195.262 1.166 20 0 in-vitro ADADHN COc1ccc(F)cc1[C@@H](N)[C@H](C)O 82383945 168253633 /nfs/dbraw/zinc/25/36/33/168253633.db2.gz QDBSKZMELBFHAG-WKEGUHRASA-N 0 3 199.225 1.215 20 0 ADADHN COc1ccc(F)cc1[C@H](N)[C@H](C)O 82383948 168253740 /nfs/dbraw/zinc/25/37/40/168253740.db2.gz QDBSKZMELBFHAG-QUBYGPBYSA-N 0 3 199.225 1.215 20 0 ADADHN COc1ccc(F)cc1[C@@H](N)[C@@H](C)O 82383946 168253953 /nfs/dbraw/zinc/25/39/53/168253953.db2.gz QDBSKZMELBFHAG-LDWIPMOCSA-N 0 3 199.225 1.215 20 0 ADADHN COc1ccc(F)cc1[C@H](N)[C@@H](C)O 82383949 168254504 /nfs/dbraw/zinc/25/45/04/168254504.db2.gz QDBSKZMELBFHAG-LHLIQPBNSA-N 0 3 199.225 1.215 20 0 ADADHN COc1ccc(OC)c(C2(N)CC2)c1 71506323 168256311 /nfs/dbraw/zinc/25/63/11/168256311.db2.gz FZKIGWLCCASRJZ-UHFFFAOYSA-N 0 3 193.246 1.652 20 0 ADADHN COc1ccc([C@@H](C)NCCO)cc1 20597053 168257182 /nfs/dbraw/zinc/25/71/82/168257182.db2.gz PZDSISDTFSUXTO-SECBINFHSA-N 0 3 195.262 1.338 20 0 ADADHN COc1ccc([C@@H](N)CN(C)C)cc1 19821414 168257920 /nfs/dbraw/zinc/25/79/20/168257920.db2.gz ZVYAFQNZQLLQOS-NSHDSACASA-N 0 3 194.278 1.257 20 0 in-vitro ADADHN COc1ccc([C@@H]2CCCCN2)nc1 75086705 168258240 /nfs/dbraw/zinc/25/82/40/168258240.db2.gz CHAXTYMCNWIRSX-JTQLQIEISA-N 0 3 192.262 1.905 20 0 ADADHN COc1ccc([C@H](C)NCCO)cc1 20597054 168258757 /nfs/dbraw/zinc/25/87/57/168258757.db2.gz PZDSISDTFSUXTO-VIFPVBQESA-N 0 3 195.262 1.338 20 0 ADADHN COc1ccc([C@H](N)CN(C)C)cc1 19821416 168259171 /nfs/dbraw/zinc/25/91/71/168259171.db2.gz ZVYAFQNZQLLQOS-LLVKDONJSA-N 0 3 194.278 1.257 20 0 in-vitro ADADHN COc1ccc([C@H](C)N)nc1 83268296 168259275 /nfs/dbraw/zinc/25/92/75/168259275.db2.gz XFPSDYRFLSUNKD-LURJTMIESA-N 0 3 152.197 1.110 20 0 in-vitro ADADHN COc1ccc([C@H]2CCCCN2)nc1 75086707 168259308 /nfs/dbraw/zinc/25/93/08/168259308.db2.gz CHAXTYMCNWIRSX-SNVBAGLBSA-N 0 3 192.262 1.905 20 0 ADADHN COc1ccc([C@H]2CCCCN2)cn1 2534024 168259788 /nfs/dbraw/zinc/25/97/88/168259788.db2.gz PZPSASQDMBLQNN-SNVBAGLBSA-N 0 3 192.262 1.905 20 0 ADADHN COc1ccc2c(c1)CNCC21CC1 91368602 168261432 /nfs/dbraw/zinc/26/14/32/168261432.db2.gz DMJCJHXVYFBYJQ-UHFFFAOYSA-N 0 3 189.258 1.830 20 0 ADADHN COc1ccc2c(c1)CNC21CC1 95803757 168261491 /nfs/dbraw/zinc/26/14/91/168261491.db2.gz FUKOFKORZXJBCD-UHFFFAOYSA-N 0 3 175.231 1.788 20 0 ADADHN COc1ccc2c(c1)CCN(C)C2 1999215 168262028 /nfs/dbraw/zinc/26/20/28/168262028.db2.gz FXCIEQJPMSJEII-UHFFFAOYSA-N 0 3 177.247 1.683 20 0 ADADHN COc1ccc2c(c1)OC[C@@H]2N 62803931 168263063 /nfs/dbraw/zinc/26/30/63/168263063.db2.gz UBNFZTRISBVHJR-QMMMGPOBSA-N 0 3 165.192 1.087 20 0 ADADHN COc1ccc2c(c1)OC[C@H]2N 62803932 168263657 /nfs/dbraw/zinc/26/36/57/168263657.db2.gz UBNFZTRISBVHJR-MRVPVSSYSA-N 0 3 165.192 1.087 20 0 ADADHN COc1ccc2c(c1OC)OC[C@H]2N 74942395 168264860 /nfs/dbraw/zinc/26/48/60/168264860.db2.gz XPXIRRHQAGTFEJ-SSDOTTSWSA-N 0 3 195.218 1.096 20 0 ADADHN COc1ccc2cc(CN)[nH]c2c1 82634236 168265309 /nfs/dbraw/zinc/26/53/09/168265309.db2.gz JOSIBNUFVWDZJN-UHFFFAOYSA-N 0 3 176.219 1.635 20 0 ADADHN COc1ccc2c(c1OC)OC[C@@H]2N 74942393 168265551 /nfs/dbraw/zinc/26/55/51/168265551.db2.gz XPXIRRHQAGTFEJ-ZETCQYMHSA-N 0 3 195.218 1.096 20 0 ADADHN COc1cccc(C2(N)CC2)c1OC 82896975 168268083 /nfs/dbraw/zinc/26/80/83/168268083.db2.gz LAVXFJVMLREJAF-UHFFFAOYSA-N 0 3 193.246 1.652 20 0 ADADHN COc1cccc(CNC(C)(C)C)n1 51523644 168269000 /nfs/dbraw/zinc/26/90/00/168269000.db2.gz PICYJGJLSLKWFY-UHFFFAOYSA-N 0 3 194.278 1.978 20 0 ADADHN COc1cccc(CN[C@@H](C)CO)c1 35603779 168269205 /nfs/dbraw/zinc/26/92/05/168269205.db2.gz FDWSHNFLDAKGLN-VIFPVBQESA-N 0 3 195.262 1.166 20 0 ADADHN COc1cccc(CN2CCCC2)n1 306412570 168269352 /nfs/dbraw/zinc/26/93/52/168269352.db2.gz MNZCMBLBHAFUPA-UHFFFAOYSA-N 0 3 192.262 1.686 20 0 ADADHN COc1cccc(CNC2CC2)n1 51523643 168269442 /nfs/dbraw/zinc/26/94/42/168269442.db2.gz LPMWPYGVOXLQFE-UHFFFAOYSA-N 0 3 178.235 1.342 20 0 ADADHN COc1cccc(CNCCCO)c1 20187757 168269461 /nfs/dbraw/zinc/26/94/61/168269461.db2.gz YIXWKBNRUZDMNB-UHFFFAOYSA-N 0 3 195.262 1.167 20 0 ADADHN COc1cccc(CNCC(C)C)n1 51523646 168269503 /nfs/dbraw/zinc/26/95/03/168269503.db2.gz GMGFQDCUBJTLFB-UHFFFAOYSA-N 0 3 194.278 1.836 20 0 ADADHN COc1cccc(CNC(C)C)n1 51523629 168269688 /nfs/dbraw/zinc/26/96/88/168269688.db2.gz KXFXMSMHOFQRJY-UHFFFAOYSA-N 0 3 180.251 1.588 20 0 ADADHN COc1cccc(CN[C@H](C)CO)c1 35603781 168269806 /nfs/dbraw/zinc/26/98/06/168269806.db2.gz FDWSHNFLDAKGLN-SECBINFHSA-N 0 3 195.262 1.166 20 0 ADADHN COc1cccc([C@@H](C)N)c1OC 60176250 168270692 /nfs/dbraw/zinc/27/06/92/168270692.db2.gz XSRDWBCINFWLJO-SSDOTTSWSA-N 0 3 181.235 1.724 20 0 ADADHN COc1cccc([C@@H](C)NCCO)c1 20597051 168270849 /nfs/dbraw/zinc/27/08/49/168270849.db2.gz ZJEQHSLWIOPGGV-SECBINFHSA-N 0 3 195.262 1.338 20 0 ADADHN COc1cccc([C@H](C)N)c1OC 60176249 168272418 /nfs/dbraw/zinc/27/24/18/168272418.db2.gz XSRDWBCINFWLJO-ZETCQYMHSA-N 0 3 181.235 1.724 20 0 ADADHN COc1cccc([C@H](C)NCCO)c1 20597052 168272884 /nfs/dbraw/zinc/27/28/84/168272884.db2.gz ZJEQHSLWIOPGGV-VIFPVBQESA-N 0 3 195.262 1.338 20 0 ADADHN COc1cccc2c1CCN(C)C2 38888693 168273602 /nfs/dbraw/zinc/27/36/02/168273602.db2.gz KRLDCRSPHOQRDO-UHFFFAOYSA-N 0 3 177.247 1.683 20 0 ADADHN COc1cccc2c1C1(CC1)CNC2 91366439 168273994 /nfs/dbraw/zinc/27/39/94/168273994.db2.gz KMOLTPRQFDWBSO-UHFFFAOYSA-N 0 3 189.258 1.830 20 0 ADADHN COc1cccc2c1CNCC21CC1 91368644 168274167 /nfs/dbraw/zinc/27/41/67/168274167.db2.gz YMQUSZSLAAFXTF-UHFFFAOYSA-N 0 3 189.258 1.830 20 0 ADADHN COc1ccccc1-c1c[nH]c(N)n1 31891146 168275405 /nfs/dbraw/zinc/27/54/05/168275405.db2.gz KRHAIGOLHAWCQP-UHFFFAOYSA-N 0 3 189.218 1.668 20 0 ADADHN COc1ccccc1[C@H](C)NCCO 20597094 168277976 /nfs/dbraw/zinc/27/79/76/168277976.db2.gz OSAVJELKDNDXBI-VIFPVBQESA-N 0 3 195.262 1.338 20 0 ADADHN COc1cccnc1[C@H](C)N 80539302 168278245 /nfs/dbraw/zinc/27/82/45/168278245.db2.gz HCGUGLVPOSXMMM-LURJTMIESA-N 0 3 152.197 1.110 20 0 ADADHN COc1ccnc2c1CCC[C@@H]2N 95221013 168279261 /nfs/dbraw/zinc/27/92/61/168279261.db2.gz RAAFWHDPWRQKAW-QMMMGPOBSA-N 0 3 178.235 1.426 20 0 ADADHN COc1ccncc1[C@@H](C)N 95761357 168279853 /nfs/dbraw/zinc/27/98/53/168279853.db2.gz ZJBYYTUNFNTOPV-ZCFIWIBFSA-N 0 3 152.197 1.110 20 0 ADADHN COc1ccncc1[C@H](C)N 95761356 168279873 /nfs/dbraw/zinc/27/98/73/168279873.db2.gz ZJBYYTUNFNTOPV-LURJTMIESA-N 0 3 152.197 1.110 20 0 ADADHN COc1ccnc(Cl)c1CN 212532251 168280292 /nfs/dbraw/zinc/28/02/92/168280292.db2.gz QTQMQJSGPZZYJO-UHFFFAOYSA-N 0 3 172.615 1.202 20 0 ADADHN COc1ccnc2c1CCC[C@H]2N 95221015 168280623 /nfs/dbraw/zinc/28/06/23/168280623.db2.gz RAAFWHDPWRQKAW-MRVPVSSYSA-N 0 3 178.235 1.426 20 0 ADADHN COc1cnc2ccccc2c1CN 84451039 168281024 /nfs/dbraw/zinc/28/10/24/168281024.db2.gz KSNFBDABFCZHQM-UHFFFAOYSA-N 0 3 188.230 1.702 20 0 ADADHN COc1cncc(CN2CCCC2)c1 335107051 168281430 /nfs/dbraw/zinc/28/14/30/168281430.db2.gz KRNSUFCBVCTJKC-UHFFFAOYSA-N 0 3 192.262 1.686 20 0 ADADHN COc1ncc(CNC2CC2)s1 45205412 168286511 /nfs/dbraw/zinc/28/65/11/168286511.db2.gz VJVOKLLZGYCMLL-UHFFFAOYSA-N 0 3 184.264 1.404 20 0 ADADHN COc1ncccc1CNC(C)C 37485415 168287859 /nfs/dbraw/zinc/28/78/59/168287859.db2.gz QXJDKDIYSIETPD-UHFFFAOYSA-N 0 3 180.251 1.588 20 0 ADADHN COc1ncccc1CNCC1CC1 37485397 168288046 /nfs/dbraw/zinc/28/80/46/168288046.db2.gz DBWIRXZNTKYRPM-UHFFFAOYSA-N 0 3 192.262 1.590 20 0 ADADHN COc1ncccc1CNCC(C)C 37408097 168288542 /nfs/dbraw/zinc/28/85/42/168288542.db2.gz ATXJLIPVTVKACC-UHFFFAOYSA-N 0 3 194.278 1.836 20 0 ADADHN CSC1(CN2CC[C@H](F)C2)CC1 335408271 168296450 /nfs/dbraw/zinc/29/64/50/168296450.db2.gz ZDZUFUMNHANBGC-QMMMGPOBSA-N 0 3 189.299 1.926 20 0 ADADHN CSC1(CN2CC[C@@H](F)C2)CC1 335408269 168296480 /nfs/dbraw/zinc/29/64/80/168296480.db2.gz ZDZUFUMNHANBGC-MRVPVSSYSA-N 0 3 189.299 1.926 20 0 ADADHN CSCCN1CCCOCC1 335660042 168299896 /nfs/dbraw/zinc/29/98/96/168299896.db2.gz CSEYCFIFKFXECT-UHFFFAOYSA-N 0 3 175.297 1.072 20 0 ADADHN CSCCNCc1cccnc1 48436312 168300134 /nfs/dbraw/zinc/30/01/34/168300134.db2.gz ALGFZHMUEXFHTE-UHFFFAOYSA-N 0 3 182.292 1.534 20 0 ADADHN CSCCCNCc1cc[nH]n1 41014693 168300176 /nfs/dbraw/zinc/30/01/76/168300176.db2.gz PSEQKLALHNKLKB-UHFFFAOYSA-N 0 3 185.296 1.252 20 0 ADADHN CSCCCNCc1ccccn1 20091642 168300382 /nfs/dbraw/zinc/30/03/82/168300382.db2.gz DIJMFNBSXHFKQX-UHFFFAOYSA-N 0 3 196.319 1.924 20 0 ADADHN CSCCNCc1ccccn1 48436308 168300960 /nfs/dbraw/zinc/30/09/60/168300960.db2.gz QWRYRMJXJYDWLC-UHFFFAOYSA-N 0 3 182.292 1.534 20 0 ADADHN CSCCN1CCSC[C@@H]1C 335492202 168300982 /nfs/dbraw/zinc/30/09/82/168300982.db2.gz JVLJMYMBKVBSKX-QMMMGPOBSA-N 0 3 191.365 1.787 20 0 ADADHN CSCCN1CCS[C@@H](C)C1 335555876 168301000 /nfs/dbraw/zinc/30/10/00/168301000.db2.gz POHGEPHDFPFWTE-QMMMGPOBSA-N 0 3 191.365 1.787 20 0 ADADHN CSCCN1CCS[C@H](C)C1 335555875 168301047 /nfs/dbraw/zinc/30/10/47/168301047.db2.gz POHGEPHDFPFWTE-MRVPVSSYSA-N 0 3 191.365 1.787 20 0 ADADHN CSCCN1CCSC[C@H]1C 335492201 168301185 /nfs/dbraw/zinc/30/11/85/168301185.db2.gz JVLJMYMBKVBSKX-MRVPVSSYSA-N 0 3 191.365 1.787 20 0 ADADHN CSCCN1CCSCC1 336552963 168301248 /nfs/dbraw/zinc/30/12/48/168301248.db2.gz ZKAJXETUHAZJCN-UHFFFAOYSA-N 0 3 177.338 1.398 20 0 ADADHN CSCCCNCc1cnn(C)c1 41054713 168301325 /nfs/dbraw/zinc/30/13/25/168301325.db2.gz PZVLAAGVACBLRO-UHFFFAOYSA-N 0 3 199.323 1.263 20 0 ADADHN CSCCNCc1ccco1 48436320 168301404 /nfs/dbraw/zinc/30/14/04/168301404.db2.gz ODILPLUVDPZZLJ-UHFFFAOYSA-N 0 3 171.265 1.732 20 0 ADADHN CS[C@H]1CCN(Cc2cnc[nH]2)C1 336208837 168307470 /nfs/dbraw/zinc/30/74/70/168307470.db2.gz PBDJXJLUQPTALB-VIFPVBQESA-N 0 3 197.307 1.347 20 0 ADADHN CS[C@@H]1CCN(Cc2cnc[nH]2)C1 336208836 168308407 /nfs/dbraw/zinc/30/84/07/168308407.db2.gz PBDJXJLUQPTALB-SECBINFHSA-N 0 3 197.307 1.347 20 0 ADADHN C[C@@H](C(N)=O)N1CC[C@]2(CCOC2)C1 334435668 168324780 /nfs/dbraw/zinc/32/47/80/168324780.db2.gz ZMERUQXXNGUIAB-WPRPVWTQSA-N 0 3 198.266 1.023 20 0 ADADHN C[C@@H](C(=O)NC1CC1)N1CCC[C@H]1C 335720088 168325281 /nfs/dbraw/zinc/32/52/81/168325281.db2.gz UKSHDPMRRGSXLM-BDAKNGLRSA-N 0 3 196.294 1.138 20 0 ADADHN C[C@@H](C(N)=O)N1CC[C@@]2(CCOC2)C1 334435667 168325898 /nfs/dbraw/zinc/32/58/98/168325898.db2.gz ZMERUQXXNGUIAB-WCBMZHEXSA-N 0 3 198.266 1.023 20 0 ADADHN C[C@@H](C(=O)NC(C)(C)C)N1CCCC1 306250980 168326043 /nfs/dbraw/zinc/32/60/43/168326043.db2.gz YUCWGUBPHMRXGB-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN C[C@@H](C(=O)N(C)C)N1CCC(C)(C)C1 335815713 168326155 /nfs/dbraw/zinc/32/61/55/168326155.db2.gz QBDISASDHLZTOA-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H](CCCO)NCc1ccccn1 87358498 168336823 /nfs/dbraw/zinc/33/68/23/168336823.db2.gz OZTSIEUEBWKDFR-JTQLQIEISA-N 0 3 194.278 1.332 20 0 ADADHN C[C@@H](CCCO)NCc1cccnc1 87358863 168337139 /nfs/dbraw/zinc/33/71/39/168337139.db2.gz HAVPDNXGWWBXGO-JTQLQIEISA-N 0 3 194.278 1.332 20 0 ADADHN C[C@@H](CCCO)NCc1ccco1 87358865 168338177 /nfs/dbraw/zinc/33/81/77/168338177.db2.gz KNZOEPDNFNVZBC-VIFPVBQESA-N 0 3 183.251 1.530 20 0 ADADHN C[C@@H](CF)N[C@H]1CCCOC1 306589680 168340582 /nfs/dbraw/zinc/34/05/82/168340582.db2.gz OQDOGCVKTGICAT-YUMQZZPRSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@@H](CF)N[C@@H]1COC(C)(C)C1 334956068 168340708 /nfs/dbraw/zinc/34/07/08/168340708.db2.gz QJLBIDGATJTVJR-YUMQZZPRSA-N 0 3 175.247 1.502 20 0 ADADHN C[C@@H](CN(C)C)NCc1ccco1 64875638 168340985 /nfs/dbraw/zinc/34/09/85/168340985.db2.gz QBZBYZBSLKVVMS-VIFPVBQESA-N 0 3 182.267 1.319 20 0 ADADHN C[C@@H](CF)N[C@H]1CCCSC1 306433633 168341213 /nfs/dbraw/zinc/34/12/13/168341213.db2.gz XKSJHOXXZAHHKW-YUMQZZPRSA-N 0 3 177.288 1.830 20 0 ADADHN C[C@@H](CF)N[C@H]1CCSC1 306275968 168341281 /nfs/dbraw/zinc/34/12/81/168341281.db2.gz DHSCMXKPOQZZOX-BQBZGAKWSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@@H](CF)N[C@@H]1CCCOC1 306589669 168341393 /nfs/dbraw/zinc/34/13/93/168341393.db2.gz OQDOGCVKTGICAT-JGVFFNPUSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@@H](CF)N[C@@H]1CCSC1 306275969 168341495 /nfs/dbraw/zinc/34/14/95/168341495.db2.gz DHSCMXKPOQZZOX-NKWVEPMBSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@@H](CF)N[C@@H]1CCCSC1 306433632 168341503 /nfs/dbraw/zinc/34/15/03/168341503.db2.gz XKSJHOXXZAHHKW-JGVFFNPUSA-N 0 3 177.288 1.830 20 0 ADADHN C[C@@H](CF)N[C@H]1COC(C)(C)C1 334956066 168341582 /nfs/dbraw/zinc/34/15/82/168341582.db2.gz QJLBIDGATJTVJR-JGVFFNPUSA-N 0 3 175.247 1.502 20 0 ADADHN C[C@@H](CN)SC1=NCCS1 82634341 168344652 /nfs/dbraw/zinc/34/46/52/168344652.db2.gz FSHDEEGFCQKTNR-YFKPBYRVSA-N 0 3 176.310 1.170 20 0 ADADHN C[C@@H](CNc1ncccc1F)N(C)C 54700688 168348732 /nfs/dbraw/zinc/34/87/32/168348732.db2.gz CZKSFTVTOUQQGI-QMMMGPOBSA-N 0 3 197.257 1.583 20 0 ADADHN C[C@@H](CNc1nccs1)N(C)C 37988061 168349429 /nfs/dbraw/zinc/34/94/29/168349429.db2.gz BZPMZKYLHWWDTO-ZETCQYMHSA-N 0 3 185.296 1.505 20 0 ADADHN C[C@@H](CNCc1cscn1)N(C)C 40505571 168349530 /nfs/dbraw/zinc/34/95/30/168349530.db2.gz MWIVRDNSPINWFB-QMMMGPOBSA-N 0 3 199.323 1.183 20 0 ADADHN C[C@@H](CO)NCc1ccc(F)cc1 35188666 168349806 /nfs/dbraw/zinc/34/98/06/168349806.db2.gz WQKKCUHETCEZCK-QMMMGPOBSA-N 0 3 183.226 1.296 20 0 ADADHN C[C@@H](CO)N[C@@H]1CCCc2occc21 123933145 168349812 /nfs/dbraw/zinc/34/98/12/168349812.db2.gz XPFCEFRHEZFGQU-WCBMZHEXSA-N 0 3 195.262 1.627 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1ccccc1F 35603273 168349850 /nfs/dbraw/zinc/34/98/50/168349850.db2.gz ATTVTBXKZLCIEF-IUCAKERBSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](CO)NCc1cccc(F)c1 35603761 168349912 /nfs/dbraw/zinc/34/99/12/168349912.db2.gz MURVGQDPTLNOPN-QMMMGPOBSA-N 0 3 183.226 1.296 20 0 ADADHN C[C@@H](CO)NCc1ccc(Cl)cc1 35603819 168350209 /nfs/dbraw/zinc/35/02/09/168350209.db2.gz QUVIULTYTZDFBA-QMMMGPOBSA-N 0 3 199.681 1.810 20 0 ADADHN C[C@@H](CO)NCc1cccc(Cl)c1 35602642 168350453 /nfs/dbraw/zinc/35/04/53/168350453.db2.gz VGQRQQCPIIKMFH-QMMMGPOBSA-N 0 3 199.681 1.810 20 0 ADADHN C[C@@H](CO)NCc1ccccc1F 35188473 168350495 /nfs/dbraw/zinc/35/04/95/168350495.db2.gz PNORSBLNQXECTN-QMMMGPOBSA-N 0 3 183.226 1.296 20 0 ADADHN C[C@@H](CO)NCc1ccsc1 35603577 168350542 /nfs/dbraw/zinc/35/05/42/168350542.db2.gz SIQVWNSQXVNWAH-ZETCQYMHSA-N 0 3 171.265 1.219 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1cccs1 35603301 168350718 /nfs/dbraw/zinc/35/07/18/168350718.db2.gz IUQRVTVPCDMFQD-YUMQZZPRSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@@H](CO)NCc1cccs1 35188475 168350810 /nfs/dbraw/zinc/35/08/10/168350810.db2.gz BWQBRKPIYLAZBK-ZETCQYMHSA-N 0 3 171.265 1.219 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1 35603261 168351093 /nfs/dbraw/zinc/35/10/93/168351093.db2.gz GSEAMQRUJRNXOX-IUCAKERBSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1ccco1 35603230 168351144 /nfs/dbraw/zinc/35/11/44/168351144.db2.gz MLRGNJVSLQQCRN-YUMQZZPRSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1cccc(F)c1 35602601 168351357 /nfs/dbraw/zinc/35/13/57/168351357.db2.gz SLIIAOMGUCBZMS-IUCAKERBSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1cccc(O)c1 35602951 168351477 /nfs/dbraw/zinc/35/14/77/168351477.db2.gz ZYJWHQVUMPOUHW-IUCAKERBSA-N 0 3 195.262 1.424 20 0 ADADHN C[C@@H](CO)N[C@@H](C)c1ccsc1 50340291 168351614 /nfs/dbraw/zinc/35/16/14/168351614.db2.gz AAVWWQDNZLVGKT-YUMQZZPRSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1cccc(F)c1 35602605 168352151 /nfs/dbraw/zinc/35/21/51/168352151.db2.gz SLIIAOMGUCBZMS-DTWKUNHWSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1ccsc1 50340297 168352168 /nfs/dbraw/zinc/35/21/68/168352168.db2.gz AAVWWQDNZLVGKT-JGVFFNPUSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@@H](CO)N[C@H]1CCCc2occc21 123933585 168352468 /nfs/dbraw/zinc/35/24/68/168352468.db2.gz XPFCEFRHEZFGQU-WPRPVWTQSA-N 0 3 195.262 1.627 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1cccs1 35603305 168352480 /nfs/dbraw/zinc/35/24/80/168352480.db2.gz IUQRVTVPCDMFQD-JGVFFNPUSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1ccccc1F 35603277 168352490 /nfs/dbraw/zinc/35/24/90/168352490.db2.gz ATTVTBXKZLCIEF-DTWKUNHWSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1cccc(O)c1 35602955 168352531 /nfs/dbraw/zinc/35/25/31/168352531.db2.gz ZYJWHQVUMPOUHW-DTWKUNHWSA-N 0 3 195.262 1.424 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1ccc(F)cc1 35603265 168352943 /nfs/dbraw/zinc/35/29/43/168352943.db2.gz GSEAMQRUJRNXOX-DTWKUNHWSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](CO)N[C@H](C)c1ccco1 35603234 168353287 /nfs/dbraw/zinc/35/32/87/168353287.db2.gz MLRGNJVSLQQCRN-JGVFFNPUSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@@H](F)CCN1CCc2n[nH]cc2C1 335707095 168355270 /nfs/dbraw/zinc/35/52/70/168355270.db2.gz OORMSNGMQUBEAZ-MRVPVSSYSA-N 0 3 197.257 1.516 20 0 ADADHN C[C@@H](F)CCN1CCOCC1(C)C 306751516 168355811 /nfs/dbraw/zinc/35/58/11/168355811.db2.gz HXCDKGXFAVDUAC-SECBINFHSA-N 0 3 189.274 1.845 20 0 ADADHN C[C@@H](F)CCN1CC[C@@H](F)C1 336263153 168355942 /nfs/dbraw/zinc/35/59/42/168355942.db2.gz VNENIIAHEKPIMR-HTQZYQBOSA-N 0 3 163.211 1.778 20 0 ADADHN C[C@@H](F)CCN1CC[C@H](F)C1 336263155 168355997 /nfs/dbraw/zinc/35/59/97/168355997.db2.gz VNENIIAHEKPIMR-SFYZADRCSA-N 0 3 163.211 1.778 20 0 ADADHN C[C@@H](F)CCN1CCN(C)C[C@H]1C 307624559 168356523 /nfs/dbraw/zinc/35/65/23/168356523.db2.gz RRLRCWAUDUQHSY-NXEZZACHSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@@H](F)CCN1CCOC(C)(C)C1 306361941 168356527 /nfs/dbraw/zinc/35/65/27/168356527.db2.gz QRDQRIGHLUVZKT-SECBINFHSA-N 0 3 189.274 1.845 20 0 ADADHN C[C@@H](F)CCN1CCSCC1 307535679 168356648 /nfs/dbraw/zinc/35/66/48/168356648.db2.gz IBGHUIMXVHGGAP-MRVPVSSYSA-N 0 3 177.288 1.783 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1CC12CCCCC2 307134970 168357075 /nfs/dbraw/zinc/35/70/75/168357075.db2.gz PHGZIGSJTLPOLQ-RKDXNWHRSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@@H](N)C(=O)N[C@H](C)c1cccs1 35736817 168357169 /nfs/dbraw/zinc/35/71/69/168357169.db2.gz WYWMHOBQQDYDDA-RNFRBKRXSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@@H](N)C(=O)Nc1cccc(Cl)c1 19485950 168357254 /nfs/dbraw/zinc/35/72/54/168357254.db2.gz FSAOZGHRBAKTRP-ZCFIWIBFSA-N 0 3 198.653 1.626 20 0 ADADHN C[C@@H](N)C(=O)N[C@H](C)c1ccsc1 61366217 168357346 /nfs/dbraw/zinc/35/73/46/168357346.db2.gz AKAZSZSIUWOWDP-RNFRBKRXSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@@H](N)C(=O)N(C)C1CCCCCC1 36328557 168357478 /nfs/dbraw/zinc/35/74/78/168357478.db2.gz NSLPCHDDXLDJIX-SECBINFHSA-N 0 3 198.310 1.515 20 0 ADADHN C[C@@H](N)C(=O)Nc1ccccc1F 19510949 168357545 /nfs/dbraw/zinc/35/75/45/168357545.db2.gz LPXJDWKYNHLYMR-ZCFIWIBFSA-N 0 3 182.198 1.111 20 0 ADADHN C[C@@H](N)C(=O)N1CCC[C@@H]1C(C)(C)C 306688401 168357564 /nfs/dbraw/zinc/35/75/64/168357564.db2.gz MSELJXIRZUOPML-RKDXNWHRSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H](N)C(=O)NC1CCCCCC1 37388580 168357596 /nfs/dbraw/zinc/35/75/96/168357596.db2.gz HAJOFPXCCZBOFS-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN C[C@@H](N)C(=O)N(C)[C@H](C)C(C)(C)C 37807134 168357673 /nfs/dbraw/zinc/35/76/73/168357673.db2.gz HSIZQGHXIQGYFI-HTQZYQBOSA-N 0 3 186.299 1.227 20 0 ADADHN C[C@@H](N)C(=O)N1CCC[C@H]1C(C)(C)C 306688400 168357687 /nfs/dbraw/zinc/35/76/87/168357687.db2.gz MSELJXIRZUOPML-BDAKNGLRSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H](N)C(=O)NC1CCCCCCC1 19440456 168357816 /nfs/dbraw/zinc/35/78/16/168357816.db2.gz XYNPWWATWUEWNE-SECBINFHSA-N 0 3 198.310 1.563 20 0 ADADHN C[C@@H](N)C(=O)N[C@H](C)C1CCCCC1 52342193 168357828 /nfs/dbraw/zinc/35/78/28/168357828.db2.gz GXHNRJCYUYRTHO-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](N)C(=O)Nc1cc(Cl)ccn1 226673942 168357970 /nfs/dbraw/zinc/35/79/70/168357970.db2.gz JRVVWIHLLWEVGW-RXMQYKEDSA-N 0 3 199.641 1.021 20 0 ADADHN C[C@@H](N)C(=O)NC1(C)CCCCC1 45046934 168358032 /nfs/dbraw/zinc/35/80/32/168358032.db2.gz SDOGIZKTPHEFLP-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN C[C@@H](N)C(=O)N[C@H]1CC12CCCCC2 307134969 168358072 /nfs/dbraw/zinc/35/80/72/168358072.db2.gz PHGZIGSJTLPOLQ-BDAKNGLRSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 34679222 168358127 /nfs/dbraw/zinc/35/81/27/168358127.db2.gz RLHYPWJBPDJDNV-ZYUZMQFOSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@@H](N)C(=O)N1CCC[C@@H]2CCC[C@H]21 83700915 168358172 /nfs/dbraw/zinc/35/81/72/168358172.db2.gz VAKXSFHTCYEOAZ-KXUCPTDWSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H](N)C(=O)Nc1cccc(F)c1 19423402 168358217 /nfs/dbraw/zinc/35/82/17/168358217.db2.gz VCARXBNLDBFTQE-ZCFIWIBFSA-N 0 3 182.198 1.111 20 0 ADADHN C[C@@H](N)C(=O)N(C)c1ccc(F)cc1 49965876 168358239 /nfs/dbraw/zinc/35/82/39/168358239.db2.gz COTJNRVRIDOXGR-SSDOTTSWSA-N 0 3 196.225 1.136 20 0 ADADHN C[C@@H](N)C(=O)N1CCCCC(C)(C)C1 335004879 168358436 /nfs/dbraw/zinc/35/84/36/168358436.db2.gz TYBXJBZMBASYQQ-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](N)C(=O)N1CCC[C@H]1C1CCC1 307107788 168358587 /nfs/dbraw/zinc/35/85/87/168358587.db2.gz GDILKGWPXONKIW-SCZZXKLOSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H](N)C(=O)N(C)Cc1cccs1 35717464 168358608 /nfs/dbraw/zinc/35/86/08/168358608.db2.gz RYASRQUOZHCNGT-SSDOTTSWSA-N 0 3 198.291 1.054 20 0 ADADHN C[C@@H](N)C(=O)N1[C@H](C)CCC[C@H]1C 42204964 168358928 /nfs/dbraw/zinc/35/89/28/168358928.db2.gz WVPABQIMYSOMAJ-IWSPIJDZSA-N 0 3 184.283 1.123 20 0 ADADHN C[C@@H](N)C(=O)N[C@H]1CCCC[C@H]1C 34679228 168358989 /nfs/dbraw/zinc/35/89/89/168358989.db2.gz APCLYSZDABRHMF-HLTSFMKQSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1C 37806847 168359057 /nfs/dbraw/zinc/35/90/57/168359057.db2.gz BSDRBTOUUAULKS-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H](N)C(=O)N1CCC[C@@H]1C1CCC1 307107783 168359135 /nfs/dbraw/zinc/35/91/35/168359135.db2.gz GDILKGWPXONKIW-PSASIEDQSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H](N)C(=O)N1CCCCCCC1 20265829 168359150 /nfs/dbraw/zinc/35/91/50/168359150.db2.gz URROWOPGAACQHX-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN C[C@@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1C 37806849 168359160 /nfs/dbraw/zinc/35/91/60/168359160.db2.gz BSDRBTOUUAULKS-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H](N)C(=O)N[C@H](C)c1ccccc1 19427705 168359208 /nfs/dbraw/zinc/35/92/08/168359208.db2.gz UJLHTMLCGCJXRX-RKDXNWHRSA-N 0 3 192.262 1.211 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1C 34679229 168359287 /nfs/dbraw/zinc/35/92/87/168359287.db2.gz APCLYSZDABRHMF-IWSPIJDZSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](N)C(=O)N(C)CC1CCCCC1 37818853 168359345 /nfs/dbraw/zinc/35/93/45/168359345.db2.gz OMGZAPQWINEEJO-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](N)C(=O)Nc1ccccc1Cl 19503829 168359364 /nfs/dbraw/zinc/35/93/64/168359364.db2.gz VRPXYDLVWZJFBV-ZCFIWIBFSA-N 0 3 198.653 1.626 20 0 ADADHN C[C@@H](N)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 34679220 168359378 /nfs/dbraw/zinc/35/93/78/168359378.db2.gz RLHYPWJBPDJDNV-KYXWUPHJSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@@H](N)C(=O)N1CC[C@@H](C)C(C)(C)C1 335027167 168359412 /nfs/dbraw/zinc/35/94/12/168359412.db2.gz CSXDIPGWYCRPRM-RKDXNWHRSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H](N)C(=O)N(C)Cc1ccsc1 35719301 168359448 /nfs/dbraw/zinc/35/94/48/168359448.db2.gz RXISAMZRDSMQIJ-SSDOTTSWSA-N 0 3 198.291 1.054 20 0 ADADHN C[C@@H](N)C(=O)N1CCC[C@H]2CCC[C@H]21 83700912 168359457 /nfs/dbraw/zinc/35/94/57/168359457.db2.gz VAKXSFHTCYEOAZ-OPRDCNLKSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H](N)C(=O)NCCC1CCCCC1 37740208 168359469 /nfs/dbraw/zinc/35/94/69/168359469.db2.gz GUKUTWZLJIHETG-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@@H](N)C1=NCc2ccccc2N1 71372348 168361040 /nfs/dbraw/zinc/36/10/40/168361040.db2.gz GIMMXJVVWMBWRY-SSDOTTSWSA-N 0 3 175.235 1.167 20 0 ADADHN C[C@@H](N)c1cc(F)ccc1N 75845405 168370130 /nfs/dbraw/zinc/37/01/30/168370130.db2.gz JLTCGWBRNSZJIX-RXMQYKEDSA-N 0 3 154.188 1.428 20 0 ADADHN C[C@@H](N)c1cc(F)nc(F)c1 217547989 168370351 /nfs/dbraw/zinc/37/03/51/168370351.db2.gz PIOVROIWCWWIMM-SCSAIBSYSA-N 0 3 158.151 1.380 20 0 ADADHN C[C@@H](N)c1cc(Cl)ccn1 82406148 168370774 /nfs/dbraw/zinc/37/07/74/168370774.db2.gz CRJWHVHYCRSVFV-RXMQYKEDSA-N 0 3 156.616 1.755 20 0 ADADHN C[C@@H](N)c1cc(F)ccn1 238423672 168370934 /nfs/dbraw/zinc/37/09/34/168370934.db2.gz JLWBNANFBVXBSG-RXMQYKEDSA-N 0 3 140.161 1.240 20 0 ADADHN C[C@@H]([NH3+])c1ccc([O-])c2ncccc12 71453877 168370989 /nfs/dbraw/zinc/37/09/89/168370989.db2.gz MVVXTOPFBHWKSI-SSDOTTSWSA-N 0 3 188.230 1.960 20 0 ADADHN C[C@@H](N)c1cccc(S(C)(=O)=O)c1 82912010 168371641 /nfs/dbraw/zinc/37/16/41/168371641.db2.gz OZXBHQHDKSSLMS-SSDOTTSWSA-N 0 3 199.275 1.110 20 0 ADADHN C[C@@H](N)c1ccccc1S(C)(=O)=O 82912013 168372396 /nfs/dbraw/zinc/37/23/96/168372396.db2.gz YWPAIOBGKCDKQA-SSDOTTSWSA-N 0 3 199.275 1.110 20 0 ADADHN C[C@@H](N)c1ccncc1F 83570789 168373065 /nfs/dbraw/zinc/37/30/65/168373065.db2.gz CKEIEOLXLLJFSA-RXMQYKEDSA-N 0 3 140.161 1.240 20 0 in-vitro ADADHN C[C@@H](NC(=O)CN)C1CCCCC1 52342197 168376387 /nfs/dbraw/zinc/37/63/87/168376387.db2.gz KXFYOECCYFTIAZ-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@@H](NC1CC1)C(=O)N1CCCCC1 20299952 168378303 /nfs/dbraw/zinc/37/83/03/168378303.db2.gz WZWQUQZFWZNZAG-SECBINFHSA-N 0 3 196.294 1.139 20 0 ADADHN C[C@@H](NC1CCC1)c1ccn(C)n1 334791769 168378306 /nfs/dbraw/zinc/37/83/06/168378306.db2.gz HXWQQYOBASXIDQ-MRVPVSSYSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H](NCC(C)(C)O)c1ccco1 37692329 168378658 /nfs/dbraw/zinc/37/86/58/168378658.db2.gz HYNIICVXYOFDMS-MRVPVSSYSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](NC1CCC1)c1cnn(C)c1 52208954 168378689 /nfs/dbraw/zinc/37/86/89/168378689.db2.gz AGCWZJTWLCZQMI-MRVPVSSYSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H](NCC(C)(C)O)c1cccnc1 37692314 168379036 /nfs/dbraw/zinc/37/90/36/168379036.db2.gz GMIHGSBSTFGJQI-SECBINFHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](NC1CC(C)(F)C1)c1cn[nH]c1 334519450 168379155 /nfs/dbraw/zinc/37/91/55/168379155.db2.gz ILXPIORLWAKGRS-CUUXFQNZSA-N 0 3 197.257 1.951 20 0 ADADHN C[C@@H](NC1CC1)C(=O)NC1CCCC1 20299948 168379206 /nfs/dbraw/zinc/37/92/06/168379206.db2.gz JJSOGTFWNYTIAG-MRVPVSSYSA-N 0 3 196.294 1.186 20 0 ADADHN C[C@@H](NC1CC1)C(=O)N1CCC[C@H]1C 335655940 168379293 /nfs/dbraw/zinc/37/92/93/168379293.db2.gz DJLRLLYKFVEGJL-RKDXNWHRSA-N 0 3 196.294 1.138 20 0 ADADHN C[C@@H](NC1CC1)c1ccncc1 21968647 168379338 /nfs/dbraw/zinc/37/93/38/168379338.db2.gz UMUZFDMDRNYDNM-MRVPVSSYSA-N 0 3 162.236 1.895 20 0 ADADHN C[C@@H](NC1CCCC1)c1nncn1C 37016754 168379731 /nfs/dbraw/zinc/37/97/31/168379731.db2.gz KQRYKJSGYPVUEE-MRVPVSSYSA-N 0 3 194.282 1.408 20 0 ADADHN C[C@@H](NC1CCC1)c1ncc[nH]1 124801093 168379827 /nfs/dbraw/zinc/37/98/27/168379827.db2.gz QNOKNQRSJVFXNM-SSDOTTSWSA-N 0 3 165.240 1.613 20 0 ADADHN C[C@@H](NCCCO)c1ccco1 20187990 168380392 /nfs/dbraw/zinc/38/03/92/168380392.db2.gz FLFMEPILQDFHFR-MRVPVSSYSA-N 0 3 169.224 1.313 20 0 ADADHN C[C@@H](NCCN(C)C)c1cccnc1 21955220 168380676 /nfs/dbraw/zinc/38/06/76/168380676.db2.gz RCAYQQGZGCJFOX-SNVBAGLBSA-N 0 3 193.294 1.294 20 0 ADADHN C[C@@H](NCCN(C)C)c1cscn1 22862504 168380760 /nfs/dbraw/zinc/38/07/60/168380760.db2.gz CFYGBZCNUFVPDA-MRVPVSSYSA-N 0 3 199.323 1.355 20 0 ADADHN C[C@@H](NCCC(N)=O)c1ccsc1 50340428 168380791 /nfs/dbraw/zinc/38/07/91/168380791.db2.gz ZJBVZNQGUVWYQR-SSDOTTSWSA-N 0 3 198.291 1.274 20 0 ADADHN C[C@@H](NCCO)c1ccccc1F 20597068 168380996 /nfs/dbraw/zinc/38/09/96/168380996.db2.gz IFGXPUINQJUOGJ-MRVPVSSYSA-N 0 3 183.226 1.469 20 0 ADADHN C[C@@H](NCCO)c1ccc(Cl)cc1 20597095 168381070 /nfs/dbraw/zinc/38/10/70/168381070.db2.gz PJWPXLSJSPGJEO-MRVPVSSYSA-N 0 3 199.681 1.983 20 0 ADADHN C[C@@H](NCCO)c1ccccc1Cl 20360890 168381161 /nfs/dbraw/zinc/38/11/61/168381161.db2.gz AUQGOUSCSNBVLK-MRVPVSSYSA-N 0 3 199.681 1.983 20 0 ADADHN C[C@@H](NCCCO)c1ccccc1F 20187970 168381183 /nfs/dbraw/zinc/38/11/83/168381183.db2.gz FTLFNWDEXAQGCK-SECBINFHSA-N 0 3 197.253 1.859 20 0 ADADHN C[C@@H](NCCCCO)c1ccccn1 43445476 168381486 /nfs/dbraw/zinc/38/14/86/168381486.db2.gz QATLBHGNJIYMMH-SNVBAGLBSA-N 0 3 194.278 1.505 20 0 ADADHN C[C@@H](NCCN(C)C)c1ccsc1 50337309 168381626 /nfs/dbraw/zinc/38/16/26/168381626.db2.gz QGBNBKYHGCZTMJ-SECBINFHSA-N 0 3 198.335 1.960 20 0 ADADHN C[C@@H](NCCCO)c1cccc(F)c1 20188318 168381712 /nfs/dbraw/zinc/38/17/12/168381712.db2.gz JEZSFZUOQCSMHA-SECBINFHSA-N 0 3 197.253 1.859 20 0 ADADHN C[C@@H](NCCCCO)c1ccco1 43445487 168381764 /nfs/dbraw/zinc/38/17/64/168381764.db2.gz RYCDXROUNJJKGT-SECBINFHSA-N 0 3 183.251 1.703 20 0 ADADHN C[C@@H](NCCO)c1cccc(F)c1 20596930 168381853 /nfs/dbraw/zinc/38/18/53/168381853.db2.gz TZNQFQYOIATESF-MRVPVSSYSA-N 0 3 183.226 1.469 20 0 ADADHN C[C@@H](NCCCO)c1ccsc1 50339414 168381916 /nfs/dbraw/zinc/38/19/16/168381916.db2.gz KYSCHXCDXRFUKF-MRVPVSSYSA-N 0 3 185.292 1.781 20 0 ADADHN C[C@@H](NCCN(C)C)c1nccs1 45206162 168382260 /nfs/dbraw/zinc/38/22/60/168382260.db2.gz YDOSCMQGBJKGFC-MRVPVSSYSA-N 0 3 199.323 1.355 20 0 ADADHN C[C@@H](NCCN(C)C)c1ccco1 19255216 168382265 /nfs/dbraw/zinc/38/22/65/168382265.db2.gz WDKDDAOTEYPZKS-SECBINFHSA-N 0 3 182.267 1.492 20 0 ADADHN C[C@@H](NCCCCO)c1cccnc1 43445472 168382364 /nfs/dbraw/zinc/38/23/64/168382364.db2.gz VIQZJIUPWGLTOR-SNVBAGLBSA-N 0 3 194.278 1.505 20 0 ADADHN C[C@@H](NCCO)c1cccs1 34973728 168382457 /nfs/dbraw/zinc/38/24/57/168382457.db2.gz DTZDWMBEOJORIO-SSDOTTSWSA-N 0 3 171.265 1.391 20 0 ADADHN C[C@@H](NCCO)c1ccsc1 50339894 168382463 /nfs/dbraw/zinc/38/24/63/168382463.db2.gz BBAJTIRAYCMTHZ-SSDOTTSWSA-N 0 3 171.265 1.391 20 0 ADADHN C[C@@H](NC[C@@H]1CCOC1)c1ccco1 35738777 168382895 /nfs/dbraw/zinc/38/28/95/168382895.db2.gz QGQQDWPAVYJNDM-ZJUUUORDSA-N 0 3 195.262 1.967 20 0 ADADHN C[C@@H](NCc1ccco1)[C@H]1CCCO1 20205922 168382964 /nfs/dbraw/zinc/38/29/64/168382964.db2.gz BQYFQUGTRPWNBK-MWLCHTKSSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@@H](N[C@@H]1CC12CC2)c1ccncn1 335247173 168383066 /nfs/dbraw/zinc/38/30/66/168383066.db2.gz BIPZSGUXJGMYID-PSASIEDQSA-N 0 3 189.262 1.680 20 0 ADADHN C[C@@H](NC[C@H]1CCOC1)c1ccco1 35738779 168383265 /nfs/dbraw/zinc/38/32/65/168383265.db2.gz QGQQDWPAVYJNDM-NXEZZACHSA-N 0 3 195.262 1.967 20 0 ADADHN C[C@@H](NCc1cc[nH]n1)C1CC1 36900350 168383300 /nfs/dbraw/zinc/38/33/00/168383300.db2.gz JLQIZWMWRMXGFW-SSDOTTSWSA-N 0 3 165.240 1.298 20 0 ADADHN C[C@@H](NCc1ccccn1)C1CC1 19957388 168383568 /nfs/dbraw/zinc/38/35/68/168383568.db2.gz WKGINKPFGRTSKO-SECBINFHSA-N 0 3 176.263 1.970 20 0 ADADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccncn1 307599064 168383588 /nfs/dbraw/zinc/38/35/88/168383588.db2.gz QGXCVRGLBNZJIK-PSASIEDQSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@@H](N[C@@H]1CC1(C)C)c1cn[nH]c1 306382521 168383684 /nfs/dbraw/zinc/38/36/84/168383684.db2.gz ZTYRFTRNPHRWCA-VXNVDRBHSA-N 0 3 179.267 1.859 20 0 ADADHN C[C@@H](N[C@@H]1CC12CC2)c1cn[nH]c1 335275478 168383990 /nfs/dbraw/zinc/38/39/90/168383990.db2.gz BEKQOJBXWPOVJI-VXNVDRBHSA-N 0 3 177.251 1.613 20 0 ADADHN C[C@@H](NCc1ncc[nH]1)C1CC1 49714847 168384260 /nfs/dbraw/zinc/38/42/60/168384260.db2.gz HYFSHVSUIOPYJM-SSDOTTSWSA-N 0 3 165.240 1.298 20 0 ADADHN C[C@@H](NCc1ccco1)[C@@H]1CCCO1 20205914 168384649 /nfs/dbraw/zinc/38/46/49/168384649.db2.gz BQYFQUGTRPWNBK-KOLCDFICSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@@H](N[C@H]1CC12CC2)c1ccncn1 335247176 168385202 /nfs/dbraw/zinc/38/52/02/168385202.db2.gz BIPZSGUXJGMYID-SCZZXKLOSA-N 0 3 189.262 1.680 20 0 ADADHN C[C@@H](N[C@H]1CC12CC2)c1cn[nH]c1 335275470 168385222 /nfs/dbraw/zinc/38/52/22/168385222.db2.gz BEKQOJBXWPOVJI-APPZFPTMSA-N 0 3 177.251 1.613 20 0 ADADHN C[C@@H](N[C@H]1CC1(C)C)c1cn[nH]c1 306382518 168385534 /nfs/dbraw/zinc/38/55/34/168385534.db2.gz ZTYRFTRNPHRWCA-APPZFPTMSA-N 0 3 179.267 1.859 20 0 ADADHN C[C@@H](N[C@H]1CCn2ccnc21)C1CC1 306848683 168385825 /nfs/dbraw/zinc/38/58/25/168385825.db2.gz MXFKJXGIDUZZFG-SCZZXKLOSA-N 0 3 191.278 1.716 20 0 ADADHN C[C@@H](N[C@@H]1CCn2ccnc21)C1CC1 306848682 168386049 /nfs/dbraw/zinc/38/60/49/168386049.db2.gz MXFKJXGIDUZZFG-PSASIEDQSA-N 0 3 191.278 1.716 20 0 ADADHN C[C@@H](N[C@H](C)c1ccccc1)C(N)=O 20307260 168386094 /nfs/dbraw/zinc/38/60/94/168386094.db2.gz WZGAFOYFEHKZHT-RKDXNWHRSA-N 0 3 192.262 1.211 20 0 ADADHN C[C@@H](N[C@H](C)c1cccs1)C(N)=O 35138598 168386257 /nfs/dbraw/zinc/38/62/57/168386257.db2.gz BPKUOBHHVZFCQB-RNFRBKRXSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@@H](N[C@H]1CC1(C)C)c1ccncn1 307599067 168386463 /nfs/dbraw/zinc/38/64/63/168386463.db2.gz QGXCVRGLBNZJIK-SCZZXKLOSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@@H](O)CCNCc1cccc(O)c1 78782043 168388898 /nfs/dbraw/zinc/38/88/98/168388898.db2.gz ZFQRFSDVQRXYCE-SECBINFHSA-N 0 3 195.262 1.253 20 0 ADADHN C[C@@H](O)CCN1CC[C@](C)(F)C1 336199139 168388955 /nfs/dbraw/zinc/38/89/55/168388955.db2.gz LPYGVVREBHCIFV-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@@H](O)CCN(C)Cc1ccncc1 44134218 168389125 /nfs/dbraw/zinc/38/91/25/168389125.db2.gz YACJNFJZFJMMMU-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN C[C@@H](O)CCNCc1ccsc1 78780490 168389134 /nfs/dbraw/zinc/38/91/34/168389134.db2.gz KTKOYDLTXJJYNX-MRVPVSSYSA-N 0 3 185.292 1.609 20 0 ADADHN C[C@@H](O)CCN1CC[C@@](C)(F)C1 336199142 168389414 /nfs/dbraw/zinc/38/94/14/168389414.db2.gz LPYGVVREBHCIFV-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@@H](O)CCNCc1ccc(F)cc1 78781401 168389497 /nfs/dbraw/zinc/38/94/97/168389497.db2.gz GVMGQYCVUWDVGX-SECBINFHSA-N 0 3 197.253 1.686 20 0 ADADHN C[C@@H](O)CCNCc1ccco1 78780468 168389669 /nfs/dbraw/zinc/38/96/69/168389669.db2.gz NGVBKVGLBXANGQ-MRVPVSSYSA-N 0 3 169.224 1.140 20 0 ADADHN C[C@@H](O)CCNCc1ccccc1F 78781442 168389713 /nfs/dbraw/zinc/38/97/13/168389713.db2.gz HUEDTMNISAZLNM-SECBINFHSA-N 0 3 197.253 1.686 20 0 ADADHN C[C@@H](O)CCN(C)Cc1cccnc1 44134010 168389746 /nfs/dbraw/zinc/38/97/46/168389746.db2.gz KZOARRQDTINLNO-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN C[C@@H](O)CCN[C@H](C)c1ccccn1 82992749 168389761 /nfs/dbraw/zinc/38/97/61/168389761.db2.gz LTYGZSLJXOMUJE-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](O)CCNCc1cccc(F)c1 78782035 168389801 /nfs/dbraw/zinc/38/98/01/168389801.db2.gz HHAKDIBLTNYSFC-SECBINFHSA-N 0 3 197.253 1.686 20 0 ADADHN C[C@@H](O)CCN[C@H](C)c1ccco1 82993183 168389937 /nfs/dbraw/zinc/38/99/37/168389937.db2.gz VMZPPPZUAFJNOS-RKDXNWHRSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](O)CCN[C@H](C)c1ccncc1 82992921 168390015 /nfs/dbraw/zinc/39/00/15/168390015.db2.gz FDZGWXHRXZOPQU-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](O)CCN[C@H](C)c1cccnc1 82992762 168390146 /nfs/dbraw/zinc/39/01/46/168390146.db2.gz LDAMOGOCKUFACU-NXEZZACHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](O)CCNCc1cncs1 82994138 168390189 /nfs/dbraw/zinc/39/01/89/168390189.db2.gz ZQNMKAXTNIQKRP-SSDOTTSWSA-N 0 3 186.280 1.004 20 0 ADADHN C[C@@H](O)CCN1CCOCC12CCC2 334309712 168390258 /nfs/dbraw/zinc/39/02/58/168390258.db2.gz NCTWNCLIDQDHOL-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@@H](O)CN1CCC[C@@H]1c1ccc[nH]1 335015372 168390481 /nfs/dbraw/zinc/39/04/81/168390481.db2.gz WKZKHOGLMCRQSJ-MWLCHTKSSA-N 0 3 194.278 1.532 20 0 ADADHN C[C@@H](O)CN(C)Cc1ccc(F)cc1 42437069 168390541 /nfs/dbraw/zinc/39/05/41/168390541.db2.gz FTPMATRWCSOTEX-SECBINFHSA-N 0 3 197.253 1.638 20 0 ADADHN C[C@@H](O)CN1CCC(F)(F)[C@H](C)C1 306361632 168390568 /nfs/dbraw/zinc/39/05/68/168390568.db2.gz PXASKIKYYGFDQU-HTQZYQBOSA-N 0 3 193.237 1.344 20 0 ADADHN C[C@@H](O)CN1CC2(CCCCC2)C1 123262159 168390714 /nfs/dbraw/zinc/39/07/14/168390714.db2.gz MURKPZFOIRBQGQ-SNVBAGLBSA-N 0 3 183.295 1.633 20 0 ADADHN C[C@@H](O)CN(C)Cc1cccc(N)c1 51816912 168390874 /nfs/dbraw/zinc/39/08/74/168390874.db2.gz GWCWAVOOZRUXOJ-SECBINFHSA-N 0 3 194.278 1.081 20 0 ADADHN C[C@@H](O)CN1CC2(CCCC2)C1 123258183 168391074 /nfs/dbraw/zinc/39/10/74/168391074.db2.gz DJQWBMJTVJNOOP-SECBINFHSA-N 0 3 169.268 1.243 20 0 ADADHN C[C@@H](O)CN1CCC(C(F)F)CC1 306899227 168391834 /nfs/dbraw/zinc/39/18/34/168391834.db2.gz ZSXHVKNEQBHVDG-SSDOTTSWSA-N 0 3 193.237 1.344 20 0 ADADHN C[C@@H](O)CN(Cc1ccco1)C1CC1 42693172 168392518 /nfs/dbraw/zinc/39/25/18/168392518.db2.gz XRRLXTMVBUBYGR-SECBINFHSA-N 0 3 195.262 1.625 20 0 ADADHN C[C@@H](O)CN1CCC[C@H]1c1ccc[nH]1 335015371 168393101 /nfs/dbraw/zinc/39/31/01/168393101.db2.gz WKZKHOGLMCRQSJ-KOLCDFICSA-N 0 3 194.278 1.532 20 0 ADADHN C[C@@H](O)CN1CCOC2(CCCC2)C1 335036061 168393128 /nfs/dbraw/zinc/39/31/28/168393128.db2.gz PRJYUSRNRHQYOY-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@@H](O)CN1CCOCC12CCCC2 306741642 168393375 /nfs/dbraw/zinc/39/33/75/168393375.db2.gz DVTBZRDKSVWFCV-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@@H](O)CN1CCCc2occc2C1 335666479 168393437 /nfs/dbraw/zinc/39/34/37/168393437.db2.gz WJFWNUXLZWPMEI-SECBINFHSA-N 0 3 195.262 1.409 20 0 ADADHN C[C@@H](O)CN1CCc2ccccc2C1 32008466 168393477 /nfs/dbraw/zinc/39/34/77/168393477.db2.gz BRYRUMXPKITJOF-SNVBAGLBSA-N 0 3 191.274 1.426 20 0 ADADHN C[C@@H](O)CN1CCc2sccc2C1 37693715 168393797 /nfs/dbraw/zinc/39/37/97/168393797.db2.gz UPQQHWPDBNPICO-MRVPVSSYSA-N 0 3 197.303 1.487 20 0 ADADHN C[C@@H](O)CN1C[C@@H](C)OC2(CCC2)C1 335465079 168393840 /nfs/dbraw/zinc/39/38/40/168393840.db2.gz SEKMYKZJBGHHCV-NXEZZACHSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H](O)CN1CC[C@@H]1c1ccccc1 335539985 168394146 /nfs/dbraw/zinc/39/41/46/168394146.db2.gz FRLZPYNTVFNGBC-ZYHUDNBSSA-N 0 3 191.274 1.814 20 0 ADADHN C[C@@H](O)CN1CC[C@H]1c1ccccc1 335539982 168394414 /nfs/dbraw/zinc/39/44/14/168394414.db2.gz FRLZPYNTVFNGBC-PWSUYJOCSA-N 0 3 191.274 1.814 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1ccco1 35601954 168395413 /nfs/dbraw/zinc/39/54/13/168395413.db2.gz RUMHXWNTUYPOKW-HTQZYQBOSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1ccsc1 50340280 168395463 /nfs/dbraw/zinc/39/54/63/168395463.db2.gz RFEUQIUIGZYYSL-HTQZYQBOSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1ccccc1F 35601972 168395583 /nfs/dbraw/zinc/39/55/83/168395583.db2.gz FMOBZUDKUSOXPZ-RKDXNWHRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1cccc(F)c1 35601656 168396087 /nfs/dbraw/zinc/39/60/87/168396087.db2.gz IHIXHAMAZLJOLN-RKDXNWHRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](O)CNCc1ccc(Cl)o1 37487039 168396239 /nfs/dbraw/zinc/39/62/39/168396239.db2.gz VKYXNNNHSUKPME-ZCFIWIBFSA-N 0 3 189.642 1.403 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1cccc(O)c1 35601818 168396519 /nfs/dbraw/zinc/39/65/19/168396519.db2.gz JLIOBGDULGCLID-RKDXNWHRSA-N 0 3 195.262 1.424 20 0 ADADHN C[C@@H](O)CN[C@H](C)c1ccc(F)cc1 35115409 168396573 /nfs/dbraw/zinc/39/65/73/168396573.db2.gz KSCHUPZMMYJXFJ-RKDXNWHRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@@H](O)[C@@H](C)N(C)Cc1cccnc1 44134030 168397481 /nfs/dbraw/zinc/39/74/81/168397481.db2.gz LKDZNZCSRCNVBT-NXEZZACHSA-N 0 3 194.278 1.283 20 0 ADADHN C[C@@H](O)[C@@H](C)N(C)Cc1ccccn1 44133607 168397876 /nfs/dbraw/zinc/39/78/76/168397876.db2.gz LHXPBUUFXIDVLE-NXEZZACHSA-N 0 3 194.278 1.283 20 0 ADADHN C[C@@H](O)[C@@H](N)c1ccc(F)c(F)c1 34414288 168397999 /nfs/dbraw/zinc/39/79/99/168397999.db2.gz BKMCHPFXUMNRLJ-MLUIRONXSA-N 0 3 187.189 1.345 20 0 ADADHN C[C@@H](O)[C@@H]1NCc2ccccc21 83389213 168398975 /nfs/dbraw/zinc/39/89/75/168398975.db2.gz DLLYWUKJZXFACG-XCBNKYQSSA-N 0 3 163.220 1.212 20 0 in-vitro ADADHN C[C@@H](O)[C@H]1NCc2ccccc21 83389211 168399021 /nfs/dbraw/zinc/39/90/21/168399021.db2.gz DLLYWUKJZXFACG-GMSGAONNSA-N 0 3 163.220 1.212 20 0 in-vitro ADADHN C[C@@H](O)[C@H](N)c1ccc(F)c(F)c1 34414284 168399599 /nfs/dbraw/zinc/39/95/99/168399599.db2.gz BKMCHPFXUMNRLJ-ANLVUFKYSA-N 0 3 187.189 1.345 20 0 ADADHN C[C@@H](c1cnccn1)N1CCCC1 306183983 168406021 /nfs/dbraw/zinc/40/60/21/168406021.db2.gz BXZUICZMOPCAPV-VIFPVBQESA-N 0 3 177.251 1.633 20 0 ADADHN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CN 306676969 168411728 /nfs/dbraw/zinc/41/17/28/168411728.db2.gz XRUDNPXLCNZYAB-RKDXNWHRSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@@H](N)C1CCC1 307228207 168422042 /nfs/dbraw/zinc/42/20/42/168422042.db2.gz HASSXHZHSNIUQG-SCZZXKLOSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@H](N)C1CCC1 307228206 168423208 /nfs/dbraw/zinc/42/32/08/168423208.db2.gz HASSXHZHSNIUQG-PSASIEDQSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cnns1 307327431 168428582 /nfs/dbraw/zinc/42/85/82/168428582.db2.gz OVUGLAWGVDTVLO-VXNVDRBHSA-N 0 3 197.307 1.816 20 0 ADADHN C[C@@H]1CCN(Cc2ccnn2C)C1 306538625 168433732 /nfs/dbraw/zinc/43/37/32/168433732.db2.gz PGEQCTODIQFUBB-SECBINFHSA-N 0 3 179.267 1.262 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2cnnn2C)C1 128462241 168438837 /nfs/dbraw/zinc/43/88/37/168438837.db2.gz ISHUNKKQPLZMEJ-RKDXNWHRSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2ccn(C)n2)C1 124700374 168439491 /nfs/dbraw/zinc/43/94/91/168439491.db2.gz COSMXKYYDRJOKT-NXEZZACHSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H]1CC[C@H](NCc2cnnn2C)C1 128461769 168442470 /nfs/dbraw/zinc/44/24/70/168442470.db2.gz ISHUNKKQPLZMEJ-BDAKNGLRSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CC[C@H](NCc2cnccn2)C1 128544034 168442501 /nfs/dbraw/zinc/44/25/01/168442501.db2.gz GKTLUIUILFXEBY-ZJUUUORDSA-N 0 3 191.278 1.755 20 0 ADADHN C[C@@H]1CN(Cc2ccno2)C[C@@H]1C 307583527 168453271 /nfs/dbraw/zinc/45/32/71/168453271.db2.gz YZBBCEHEUHVEAN-DTORHVGOSA-N 0 3 180.251 1.762 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2cncn2C)C1 335295058 168464242 /nfs/dbraw/zinc/46/42/42/168464242.db2.gz KCEHXHAXGPXUMU-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1C[C@@H](NCc2cncs2)CO1 335426601 168466059 /nfs/dbraw/zinc/46/60/59/168466059.db2.gz ZEGJGXDEVSQLKM-HTQZYQBOSA-N 0 3 198.291 1.410 20 0 ADADHN C[C@@H]1C[C@@H](NCc2ccco2)CCO1 69855701 168466573 /nfs/dbraw/zinc/46/65/73/168466573.db2.gz FCASVQVIUGOSIV-ZJUUUORDSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCOCC1(C)C 306318338 168469200 /nfs/dbraw/zinc/46/92/00/168469200.db2.gz BEOQVLNUPCEMNN-NXEZZACHSA-N 0 3 183.295 1.753 20 0 ADADHN C[C@@H]1N(CC2CC2)CCOC1(C)C 335916058 168481760 /nfs/dbraw/zinc/48/17/60/168481760.db2.gz RCJGNCXWFHCWOG-VIFPVBQESA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1OCC[C@H]1NCc1ccccc1 96033496 168487301 /nfs/dbraw/zinc/48/73/01/168487301.db2.gz WYYROTROHMUABP-CMPLNLGQSA-N 0 3 191.274 1.954 20 0 ADADHN C[C@@H]1OCC[C@@H]1NCc1ccco1 133942380 168487471 /nfs/dbraw/zinc/48/74/71/168487471.db2.gz STXOWZJHHPJARJ-WPRPVWTQSA-N 0 3 181.235 1.547 20 0 ADADHN C[C@@H]1OCC[C@H]1NCc1cccnc1 96033436 168488100 /nfs/dbraw/zinc/48/81/00/168488100.db2.gz TWZITSICFTWZTA-GXSJLCMTSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@](F)(CN)c1ccccc1 39258265 168494641 /nfs/dbraw/zinc/49/46/41/168494641.db2.gz RSJAQRQLXXKVKN-SECBINFHSA-N 0 3 153.200 1.830 20 0 ADADHN C[C@H](CCCO)NCc1ccco1 87358866 168523846 /nfs/dbraw/zinc/52/38/46/168523846.db2.gz KNZOEPDNFNVZBC-SECBINFHSA-N 0 3 183.251 1.530 20 0 ADADHN C[C@H](CO)N[C@H](C)c1ccsc1 50340300 168536704 /nfs/dbraw/zinc/53/67/04/168536704.db2.gz AAVWWQDNZLVGKT-HTQZYQBOSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@H](CO)N[C@H]1CCCc2occc21 123933790 168536931 /nfs/dbraw/zinc/53/69/31/168536931.db2.gz XPFCEFRHEZFGQU-SCZZXKLOSA-N 0 3 195.262 1.627 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1C 42273428 168541429 /nfs/dbraw/zinc/54/14/29/168541429.db2.gz BSDRBTOUUAULKS-UTLUCORTSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H](N)C(=O)N1CC[C@H](C)C(C)(C)C1 335026703 168542363 /nfs/dbraw/zinc/54/23/63/168542363.db2.gz CSXDIPGWYCRPRM-IUCAKERBSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H](N)C(=O)N(C)c1ccc(F)cc1 49965875 168542376 /nfs/dbraw/zinc/54/23/76/168542376.db2.gz COTJNRVRIDOXGR-ZETCQYMHSA-N 0 3 196.225 1.136 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](C)N 136132631 343975414 /nfs/dbraw/zinc/97/54/14/343975414.db2.gz AERMILPQYKKJGP-IWSPIJDZSA-N 0 3 184.283 1.123 20 0 ADADHN C[C@H](NCc1ccco1)[C@H]1CCCO1 20205925 168569203 /nfs/dbraw/zinc/56/92/03/168569203.db2.gz BQYFQUGTRPWNBK-GXSJLCMTSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H](N[C@H](C)C(N)=O)c1cccs1 35138596 168571906 /nfs/dbraw/zinc/57/19/06/168571906.db2.gz BPKUOBHHVZFCQB-NKWVEPMBSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@H](O)CCNCc1ccc(F)cc1 78781400 168575485 /nfs/dbraw/zinc/57/54/85/168575485.db2.gz GVMGQYCVUWDVGX-VIFPVBQESA-N 0 3 197.253 1.686 20 0 ADADHN C[C@H](O)CCNCc1ccccc1F 78781441 168576281 /nfs/dbraw/zinc/57/62/81/168576281.db2.gz HUEDTMNISAZLNM-VIFPVBQESA-N 0 3 197.253 1.686 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cnns1 307327428 168609553 /nfs/dbraw/zinc/60/95/53/168609553.db2.gz OVUGLAWGVDTVLO-CBAPKCEASA-N 0 3 197.307 1.816 20 0 ADADHN C[C@H]1CN(Cc2nccn2C)C[C@@H]1C 336556177 168636848 /nfs/dbraw/zinc/63/68/48/168636848.db2.gz URVKGXIFWGZREG-UWVGGRQHSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@H]1CN[C@@H](Cc2ccccc2)CO1 63219491 168642103 /nfs/dbraw/zinc/64/21/03/168642103.db2.gz OLDFUGLZCZSWQC-JQWIXIFHSA-N 0 3 191.274 1.606 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2ccnn2C)C1 335901128 168649286 /nfs/dbraw/zinc/64/92/86/168649286.db2.gz GWIZYBHSYZBSJB-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1OCC[C@H]1NCc1ccco1 133941789 168671817 /nfs/dbraw/zinc/67/18/17/168671817.db2.gz STXOWZJHHPJARJ-PSASIEDQSA-N 0 3 181.235 1.547 20 0 ADADHN Cc1[nH]ncc1CNc1cccnc1 36901406 168703660 /nfs/dbraw/zinc/70/36/60/168703660.db2.gz AIPIJLWNMLVTLK-UHFFFAOYSA-N 0 3 188.234 1.725 20 0 ADADHN Cc1c(CNC(C)C)cnn1C 36947897 168710028 /nfs/dbraw/zinc/71/00/28/168710028.db2.gz BUQSAPTUPCHHME-UHFFFAOYSA-N 0 3 167.256 1.227 20 0 ADADHN Cc1cc(C)cc(NC(=O)[C@@H](C)N)c1 19517469 168746021 /nfs/dbraw/zinc/74/60/21/168746021.db2.gz HDMGAWAVSDMCJJ-SECBINFHSA-N 0 3 192.262 1.589 20 0 ADADHN Cc1cc(CCN(C)C)on1 39112917 168752491 /nfs/dbraw/zinc/75/24/91/168752491.db2.gz XSWPRZYJJORTCL-UHFFFAOYSA-N 0 3 154.213 1.087 20 0 ADADHN Cc1cc(CN)nc(-c2ccco2)n1 54830701 168754421 /nfs/dbraw/zinc/75/44/21/168754421.db2.gz OFXIRAZIXBPJSE-UHFFFAOYSA-N 0 3 189.218 1.504 20 0 ADADHN Cc1cc(CNC[C@H](C)O)c(C)s1 49685641 168757186 /nfs/dbraw/zinc/75/71/86/168757186.db2.gz LFEXZKMSIXWLOB-ZETCQYMHSA-N 0 3 199.319 1.835 20 0 ADADHN Cc1cc2cnccc2nc1C(=N)N 67173623 168789980 /nfs/dbraw/zinc/78/99/80/168789980.db2.gz LRAHJYGNTRTWOA-UHFFFAOYSA-N 0 3 186.218 1.222 20 0 ADADHN Cc1ccc([C@@H](N)C2CC2)o1 3739107 168834873 /nfs/dbraw/zinc/83/48/73/168834873.db2.gz MMTUYNKRGCVPBY-VIFPVBQESA-N 0 3 151.209 1.998 20 0 ADADHN Cc1ccc([C@@H](N)CO)c(Cl)c1 72197567 168835241 /nfs/dbraw/zinc/83/52/41/168835241.db2.gz KUUZGJDTKWZPKE-VIFPVBQESA-N 0 3 185.654 1.641 20 0 ADADHN Cc1ccc([C@@H](C)NCC(N)=O)s1 19265572 168836377 /nfs/dbraw/zinc/83/63/77/168836377.db2.gz DMZBRYUSCDKPAK-SSDOTTSWSA-N 0 3 198.291 1.192 20 0 ADADHN Cc1cccc(CN[C@@H]2CCOC2)c1 70964649 168866530 /nfs/dbraw/zinc/86/65/30/168866530.db2.gz IFDRHECMFKDHTD-GFCCVEGCSA-N 0 3 191.274 1.874 20 0 ADADHN Cc1ccccc1-n1cc(CN)nn1 50224155 168883362 /nfs/dbraw/zinc/88/33/62/168883362.db2.gz CWQYDEVMKGODGN-UHFFFAOYSA-N 0 3 188.234 1.034 20 0 ADADHN Cc1ccoc1CN[C@@H]1CCCOC1 126783486 168893747 /nfs/dbraw/zinc/89/37/47/168893747.db2.gz GVKFFYJUTGRTHM-SNVBAGLBSA-N 0 3 195.262 1.857 20 0 ADADHN Cc1ccoc1CNC[C@H]1CCCO1 37927463 168893775 /nfs/dbraw/zinc/89/37/75/168893775.db2.gz APEOZKAZFCRJRZ-SNVBAGLBSA-N 0 3 195.262 1.857 20 0 ADADHN Cc1cnc(CNCC2CC2)s1 20216502 168902525 /nfs/dbraw/zinc/90/25/25/168902525.db2.gz XBGLSKISLRUWRB-UHFFFAOYSA-N 0 3 182.292 1.951 20 0 ADADHN Cc1cnn(C)c1CNC1CC(C)C1 307534717 168914866 /nfs/dbraw/zinc/91/48/66/168914866.db2.gz HRGKEVPEEMNITD-UHFFFAOYSA-N 0 3 193.294 1.617 20 0 ADADHN Cc1csc(CN[C@H]2CCOC2)c1 307387247 168920600 /nfs/dbraw/zinc/92/06/00/168920600.db2.gz MMTKIDLOVBYZBI-VIFPVBQESA-N 0 3 197.303 1.935 20 0 ADADHN Cc1nc(CN2CC[C@H](C)[C@@H]2C)n[nH]1 335724171 168939748 /nfs/dbraw/zinc/93/97/48/168939748.db2.gz RCPUBLJUPYHQFO-YUMQZZPRSA-N 0 3 194.282 1.343 20 0 ADADHN C[C@H]1C[C@H]1CNCc1ccccn1 136249574 343978028 /nfs/dbraw/zinc/97/80/28/343978028.db2.gz UOONKQKXPKJOOD-UWVGGRQHSA-N 0 3 176.263 1.827 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1ccccn1 136249496 343978048 /nfs/dbraw/zinc/97/80/48/343978048.db2.gz UOONKQKXPKJOOD-VHSXEESVSA-N 0 3 176.263 1.827 20 0 ADADHN Cc1nocc1CN[C@H]1CC1(C)C 306750237 169004332 /nfs/dbraw/zinc/00/43/32/169004332.db2.gz MJRSCTQDPGQPQE-VIFPVBQESA-N 0 3 180.251 1.871 20 0 ADADHN Cc1nocc1CN[C@@H]1CC[C@@H](F)C1 307381872 169004358 /nfs/dbraw/zinc/00/43/58/169004358.db2.gz HEDUJEQDELEXEI-NXEZZACHSA-N 0 3 198.241 1.963 20 0 ADADHN Cc1nocc1CN[C@@H]1CC[C@H](F)C1 307381874 169004445 /nfs/dbraw/zinc/00/44/45/169004445.db2.gz HEDUJEQDELEXEI-VHSXEESVSA-N 0 3 198.241 1.963 20 0 ADADHN Cc1nocc1CNC1CC1 306765281 169004700 /nfs/dbraw/zinc/00/47/00/169004700.db2.gz ZWOOHHTXDRHWMH-UHFFFAOYSA-N 0 3 152.197 1.235 20 0 ADADHN Cc1nocc1CNC1CC(C)(F)C1 336215544 169004820 /nfs/dbraw/zinc/00/48/20/169004820.db2.gz WFHOZCMVUDDCKU-UHFFFAOYSA-N 0 3 198.241 1.963 20 0 ADADHN Cc1nocc1CNC1CCC1 306663619 169005109 /nfs/dbraw/zinc/00/51/09/169005109.db2.gz QXUJEWMBHNTQIO-UHFFFAOYSA-N 0 3 166.224 1.625 20 0 ADADHN Cc1nocc1CNC(C)C 306956683 169005119 /nfs/dbraw/zinc/00/51/19/169005119.db2.gz RXARLVGBLCICPQ-UHFFFAOYSA-N 0 3 154.213 1.481 20 0 ADADHN Cc1nocc1CN[C@H]1CC[C@H](F)C1 307381873 169005436 /nfs/dbraw/zinc/00/54/36/169005436.db2.gz HEDUJEQDELEXEI-UWVGGRQHSA-N 0 3 198.241 1.963 20 0 ADADHN Cc1nocc1CN[C@H]1CC[C@@H](F)C1 307381875 169005846 /nfs/dbraw/zinc/00/58/46/169005846.db2.gz HEDUJEQDELEXEI-ZJUUUORDSA-N 0 3 198.241 1.963 20 0 ADADHN Cc1nocc1CN[C@@H]1CC1(C)C 306750236 169005967 /nfs/dbraw/zinc/00/59/67/169005967.db2.gz MJRSCTQDPGQPQE-SECBINFHSA-N 0 3 180.251 1.871 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1ccccn1 136249463 343978055 /nfs/dbraw/zinc/97/80/55/343978055.db2.gz UOONKQKXPKJOOD-NXEZZACHSA-N 0 3 176.263 1.827 20 0 ADADHN Cc1occc1CN1CC[C@](C)(O)C1 334881549 169010417 /nfs/dbraw/zinc/01/04/17/169010417.db2.gz GGZGSOBRBHACJP-NSHDSACASA-N 0 3 195.262 1.545 20 0 ADADHN Cc1occc1CN1CCC[C@H](O)C1 335264196 169010470 /nfs/dbraw/zinc/01/04/70/169010470.db2.gz XXBMNEBBEFZOAJ-NSHDSACASA-N 0 3 195.262 1.545 20 0 ADADHN Cc1occc1CN1CC[C@H](O)C1 334856597 169010509 /nfs/dbraw/zinc/01/05/09/169010509.db2.gz QSUFWQUADJIPMG-JTQLQIEISA-N 0 3 181.235 1.155 20 0 ADADHN Cc1occc1CN1CCC[C@@H]1CO 334856305 169010528 /nfs/dbraw/zinc/01/05/28/169010528.db2.gz PKQAHYAFPJFNRM-LLVKDONJSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1occc1CN[C@@H]1CCO[C@@H]1C 306973223 169010608 /nfs/dbraw/zinc/01/06/08/169010608.db2.gz WXYWNHJICOOPMN-MWLCHTKSSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN1CCC(O)CC1 335258818 169010837 /nfs/dbraw/zinc/01/08/37/169010837.db2.gz CDQGGTGXANQVTO-UHFFFAOYSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1occc1CN[C@@H]1CCO[C@H]1C 306973221 169010867 /nfs/dbraw/zinc/01/08/67/169010867.db2.gz WXYWNHJICOOPMN-GXSJLCMTSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN(C)C[C@H](C)O 42449690 169010880 /nfs/dbraw/zinc/01/08/80/169010880.db2.gz INBBZZAZWZLZIZ-QMMMGPOBSA-N 0 3 183.251 1.401 20 0 ADADHN Cc1occc1CN[C@@]1(C)CCOC1 306262529 169010894 /nfs/dbraw/zinc/01/08/94/169010894.db2.gz YVJUTBIHMMXWKL-NSHDSACASA-N 0 3 195.262 1.857 20 0 ADADHN Cc1occc1CN1C[C@@H](O)C[C@H]1C 335262575 169010975 /nfs/dbraw/zinc/01/09/75/169010975.db2.gz OZXGIKBPNDLPPW-KCJUWKMLSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1occc1CNC[C@H]1CCCO1 37927457 169011004 /nfs/dbraw/zinc/01/10/04/169011004.db2.gz WSTGAPUJMODVCU-LLVKDONJSA-N 0 3 195.262 1.857 20 0 ADADHN Cc1occc1CN[C@@H]1CO[C@@H](C)C1 335442769 169011100 /nfs/dbraw/zinc/01/11/00/169011100.db2.gz XMFLBBBKKCSLED-KWQFWETISA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN[C@H]1CCO[C@H]1C 306973224 169011136 /nfs/dbraw/zinc/01/11/36/169011136.db2.gz WXYWNHJICOOPMN-ONGXEEELSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN(C)CCCCO 42449684 169011190 /nfs/dbraw/zinc/01/11/90/169011190.db2.gz SJRZUVUMZVJXMO-UHFFFAOYSA-N 0 3 197.278 1.792 20 0 ADADHN Cc1occc1CN1CC[C@@H](O)C1 334856601 169011212 /nfs/dbraw/zinc/01/12/12/169011212.db2.gz QSUFWQUADJIPMG-SNVBAGLBSA-N 0 3 181.235 1.155 20 0 ADADHN Cc1occc1CN[C@H]1CCCOC1 306213549 169011220 /nfs/dbraw/zinc/01/12/20/169011220.db2.gz LQCVJWGGYFGIRR-NSHDSACASA-N 0 3 195.262 1.857 20 0 ADADHN Cc1occc1CN[C@H]1C[C@@H](O)C1 334883233 169011330 /nfs/dbraw/zinc/01/13/30/169011330.db2.gz SGKFQIMYNVGCMN-AOOOYVTPSA-N 0 3 181.235 1.201 20 0 ADADHN Cc1occc1CNC1CC1 36947970 169011353 /nfs/dbraw/zinc/01/13/53/169011353.db2.gz DKXQMMPQFVREBX-UHFFFAOYSA-N 0 3 151.209 1.840 20 0 ADADHN Cc1occc1CN[C@@H]1CO[C@H](C)C1 335442768 169011439 /nfs/dbraw/zinc/01/14/39/169011439.db2.gz XMFLBBBKKCSLED-KCJUWKMLSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN[C@]1(C)CCOC1 306262528 169011444 /nfs/dbraw/zinc/01/14/44/169011444.db2.gz YVJUTBIHMMXWKL-LLVKDONJSA-N 0 3 195.262 1.857 20 0 ADADHN Cc1occc1CN[C@H]1CCO[C@@H]1C 306973222 169011448 /nfs/dbraw/zinc/01/14/48/169011448.db2.gz WXYWNHJICOOPMN-KOLCDFICSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN1CC[C@H](CO)C1 334865957 169011503 /nfs/dbraw/zinc/01/15/03/169011503.db2.gz DIBZTLPFPLTGTM-JTQLQIEISA-N 0 3 195.262 1.402 20 0 ADADHN Cc1occc1CNC[C@@H]1CCCO1 37927456 169011534 /nfs/dbraw/zinc/01/15/34/169011534.db2.gz WSTGAPUJMODVCU-NSHDSACASA-N 0 3 195.262 1.857 20 0 ADADHN Cc1occc1CN1CCC[C@H]1CO 335132576 169011648 /nfs/dbraw/zinc/01/16/48/169011648.db2.gz PKQAHYAFPJFNRM-NSHDSACASA-N 0 3 195.262 1.545 20 0 ADADHN Cc1occc1CN[C@@H]1CCCOC1 306213547 169011682 /nfs/dbraw/zinc/01/16/82/169011682.db2.gz LQCVJWGGYFGIRR-LLVKDONJSA-N 0 3 195.262 1.857 20 0 ADADHN Cc1occc1CN[C@H]1CO[C@H](C)C1 335442770 169011710 /nfs/dbraw/zinc/01/17/10/169011710.db2.gz XMFLBBBKKCSLED-LDYMZIIASA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN(C)CC(C)(C)O 42449704 169011716 /nfs/dbraw/zinc/01/17/16/169011716.db2.gz RAULMBAFCCEVPJ-UHFFFAOYSA-N 0 3 197.278 1.791 20 0 ADADHN Cc1occc1CNC1CCOCC1 307506474 169011734 /nfs/dbraw/zinc/01/17/34/169011734.db2.gz YGOUKDCDJQYKPA-UHFFFAOYSA-N 0 3 195.262 1.857 20 0 ADADHN Cc1occc1CN(C)CCCO 42375777 169011777 /nfs/dbraw/zinc/01/17/77/169011777.db2.gz JJJDOJANROMUFH-UHFFFAOYSA-N 0 3 183.251 1.402 20 0 ADADHN Cc1occc1CN1CCC[C@@H](O)C1 335264195 169011824 /nfs/dbraw/zinc/01/18/24/169011824.db2.gz XXBMNEBBEFZOAJ-LLVKDONJSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1occc1CN[C@@H]1CCC[C@H]1O 307027440 169011935 /nfs/dbraw/zinc/01/19/35/169011935.db2.gz JUURIYTYJZPAQT-GHMZBOCLSA-N 0 3 195.262 1.591 20 0 ADADHN Cc1occc1CN[C@H]1CO[C@@H](C)C1 335442767 169011964 /nfs/dbraw/zinc/01/19/64/169011964.db2.gz XMFLBBBKKCSLED-GZMMTYOYSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1occc1CN1C[C@@H](O)C[C@@H]1C 335262576 169011977 /nfs/dbraw/zinc/01/19/77/169011977.db2.gz OZXGIKBPNDLPPW-KWQFWETISA-N 0 3 195.262 1.543 20 0 ADADHN Cc1occc1CN1C[C@H](O)C[C@@H]1C 335262574 169012063 /nfs/dbraw/zinc/01/20/63/169012063.db2.gz OZXGIKBPNDLPPW-GZMMTYOYSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1occc1CN(C)C[C@@H](C)O 42449688 169012138 /nfs/dbraw/zinc/01/21/38/169012138.db2.gz INBBZZAZWZLZIZ-MRVPVSSYSA-N 0 3 183.251 1.401 20 0 ADADHN Cc1occc1CN1CC[C@@](C)(O)C1 334881548 169012170 /nfs/dbraw/zinc/01/21/70/169012170.db2.gz GGZGSOBRBHACJP-LLVKDONJSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1occc1CN1C[C@H](O)C[C@H]1C 335262577 169012200 /nfs/dbraw/zinc/01/22/00/169012200.db2.gz OZXGIKBPNDLPPW-LDYMZIIASA-N 0 3 195.262 1.543 20 0 ADADHN Cc1occc1CN1CC[C@@H](CO)C1 334865959 169012217 /nfs/dbraw/zinc/01/22/17/169012217.db2.gz DIBZTLPFPLTGTM-SNVBAGLBSA-N 0 3 195.262 1.402 20 0 ADADHN Cc1oncc1CN1CCCCC1 306328861 169012930 /nfs/dbraw/zinc/01/29/30/169012930.db2.gz NWMAKOHCERZBIV-UHFFFAOYSA-N 0 3 180.251 1.969 20 0 ADADHN Cc1oncc1CN1CC[C@H](C)C1 307529627 169013545 /nfs/dbraw/zinc/01/35/45/169013545.db2.gz URVVNAPWDAILTC-QMMMGPOBSA-N 0 3 180.251 1.825 20 0 ADADHN Cc1oncc1CN1CCC[C@H]1C 306330016 169013573 /nfs/dbraw/zinc/01/35/73/169013573.db2.gz BYUJCIKOMULIPO-MRVPVSSYSA-N 0 3 180.251 1.967 20 0 ADADHN Cc1oncc1CN1CCC[C@@H]1C 306330019 169013579 /nfs/dbraw/zinc/01/35/79/169013579.db2.gz BYUJCIKOMULIPO-QMMMGPOBSA-N 0 3 180.251 1.967 20 0 ADADHN Cc1oncc1CN1CC[C@@H](C)C1 307529626 169013641 /nfs/dbraw/zinc/01/36/41/169013641.db2.gz URVVNAPWDAILTC-MRVPVSSYSA-N 0 3 180.251 1.825 20 0 ADADHN Cc1sc(C)c2c1CCO[C@@H]2CN 90397781 169014464 /nfs/dbraw/zinc/01/44/64/169014464.db2.gz YOECCLZXTDYJSL-SECBINFHSA-N 0 3 197.303 1.937 20 0 ADADHN Cc1sc(C)c2c1CCO[C@H]2CN 90397779 169014923 /nfs/dbraw/zinc/01/49/23/169014923.db2.gz YOECCLZXTDYJSL-VIFPVBQESA-N 0 3 197.303 1.937 20 0 ADADHN Cc1sc(Cl)nc1CN 95930295 169015692 /nfs/dbraw/zinc/01/56/92/169015692.db2.gz WZHJSAKFKHXOEV-UHFFFAOYSA-N 0 3 162.645 1.564 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1ccccn1 136249534 343978092 /nfs/dbraw/zinc/97/80/92/343978092.db2.gz UOONKQKXPKJOOD-ZJUUUORDSA-N 0 3 176.263 1.827 20 0 ADADHN Cc1sccc1CN1CC[C@H](O)C1 334241291 169016396 /nfs/dbraw/zinc/01/63/96/169016396.db2.gz NFQSLBRLOJTFFK-JTQLQIEISA-N 0 3 197.303 1.623 20 0 ADADHN Cc1sccc1CN1CC[C@@H](O)C1 334328775 169016607 /nfs/dbraw/zinc/01/66/07/169016607.db2.gz NFQSLBRLOJTFFK-SNVBAGLBSA-N 0 3 197.303 1.623 20 0 ADADHN Cc1sccc1CN[C@H]1C[C@@H](O)C1 336211633 169016775 /nfs/dbraw/zinc/01/67/75/169016775.db2.gz AVZFBTYARRFKRQ-AOOOYVTPSA-N 0 3 197.303 1.669 20 0 ADADHN Clc1cc2c(cn1)CCNC2 85223484 169022376 /nfs/dbraw/zinc/02/23/76/169022376.db2.gz RLNPCQYWZZVSLT-UHFFFAOYSA-N 0 3 168.627 1.381 20 0 ADADHN Clc1ccc(OC2CNC2)nc1 62810074 169023757 /nfs/dbraw/zinc/02/37/57/169023757.db2.gz OONSWKRWSITGFU-UHFFFAOYSA-N 0 3 184.626 1.086 20 0 ADADHN Clc1cccnc1OC1CNC1 62810186 169024312 /nfs/dbraw/zinc/02/43/12/169024312.db2.gz HLKJKRKODZPOGC-UHFFFAOYSA-N 0 3 184.626 1.086 20 0 ADADHN Clc1cnc([C@@H]2CCCN2)nc1 95642164 169026038 /nfs/dbraw/zinc/02/60/38/169026038.db2.gz USKFNALSRMYUJC-ZETCQYMHSA-N 0 3 183.642 1.555 20 0 ADADHN Clc1cnn(CCN2CCCC2)c1 306558474 169026494 /nfs/dbraw/zinc/02/64/94/169026494.db2.gz PIQXGKSNMYJEOZ-UHFFFAOYSA-N 0 3 199.685 1.632 20 0 ADADHN Clc1ccnc2c1CCNC2 95642698 169026537 /nfs/dbraw/zinc/02/65/37/169026537.db2.gz KJQOPYSRMZFLBH-UHFFFAOYSA-N 0 3 168.627 1.381 20 0 ADADHN Clc1cnc([C@H]2CCCN2)nc1 95642165 169026845 /nfs/dbraw/zinc/02/68/45/169026845.db2.gz USKFNALSRMYUJC-SSDOTTSWSA-N 0 3 183.642 1.555 20 0 ADADHN Cn1c(Cl)cnc1CNCC1CC1 36903418 169033717 /nfs/dbraw/zinc/03/37/17/169033717.db2.gz YEPYVNWECXTEHU-UHFFFAOYSA-N 0 3 199.685 1.573 20 0 ADADHN Cn1cc(CN2CCC(C)(C)C2)cn1 336486087 169037585 /nfs/dbraw/zinc/03/75/85/169037585.db2.gz LEBSIQUPRCOTFH-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN Cn1cc(CN2CCCCCC2)cn1 307465848 169037648 /nfs/dbraw/zinc/03/76/48/169037648.db2.gz JRBYKGWWCXRURU-UHFFFAOYSA-N 0 3 193.294 1.796 20 0 ADADHN Cn1cc(CNCC2CCCC2)nn1 54859156 169038016 /nfs/dbraw/zinc/03/80/16/169038016.db2.gz ZUSNEONGQSLJNF-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN Cn1cc(CNC2(C)CCCC2)nn1 54860886 169038021 /nfs/dbraw/zinc/03/80/21/169038021.db2.gz JBDYLXSSHCYDKS-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN Cn1cc(CNC2CCC2)cn1 44481910 169038350 /nfs/dbraw/zinc/03/83/50/169038350.db2.gz DWRJQOHBCRKRHF-UHFFFAOYSA-N 0 3 165.240 1.062 20 0 ADADHN Cn1cc(CN)nc1-c1ccccc1 20439154 169038432 /nfs/dbraw/zinc/03/84/32/169038432.db2.gz YQLAKJZMWLZYFA-UHFFFAOYSA-N 0 3 187.246 1.546 20 0 ADADHN Cn1cc(CN2CCCC2)cn1 306279116 169038494 /nfs/dbraw/zinc/03/84/94/169038494.db2.gz YCTJGIHEJSTCNM-UHFFFAOYSA-N 0 3 165.240 1.016 20 0 ADADHN Cn1cc(CNC2CC(C)(C)C2)cn1 306558903 169038734 /nfs/dbraw/zinc/03/87/34/169038734.db2.gz KWYQOUCOWSAXNL-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cc(CN2CCCCC2)cn1 306617072 169038993 /nfs/dbraw/zinc/03/89/93/169038993.db2.gz PZFLFYYFCIKZCI-UHFFFAOYSA-N 0 3 179.267 1.406 20 0 ADADHN Cn1cc(CNC2CC(C)(F)C2)cn1 335376061 169039055 /nfs/dbraw/zinc/03/90/55/169039055.db2.gz QRHOGTHIKHGSLB-UHFFFAOYSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cc(CN[C@H]2CCC2(C)C)cn1 306901383 169039401 /nfs/dbraw/zinc/03/94/01/169039401.db2.gz OCDSOHJQZCNXKY-JTQLQIEISA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cc(CN[C@@H]2CC[C@H](F)C2)cn1 306677408 169039558 /nfs/dbraw/zinc/03/95/58/169039558.db2.gz YRYKVNXUAFEFOA-VHSXEESVSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cc(CN[C@@H]2CCSC2)cn1 41054633 169039735 /nfs/dbraw/zinc/03/97/35/169039735.db2.gz AWSUPCUKDDZTMW-SECBINFHSA-N 0 3 197.307 1.015 20 0 ADADHN Cn1cc(CN[C@@H]2CCC2(C)C)cn1 306901384 169039999 /nfs/dbraw/zinc/03/99/99/169039999.db2.gz OCDSOHJQZCNXKY-SNVBAGLBSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cc(CN[C@@H]2CC[C@@H](F)C2)cn1 306677406 169040058 /nfs/dbraw/zinc/04/00/58/169040058.db2.gz YRYKVNXUAFEFOA-NXEZZACHSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cc(CN[C@@H]2CC2(C)C)cn1 45116777 169040071 /nfs/dbraw/zinc/04/00/71/169040071.db2.gz CUENVOKEVPAGEE-SECBINFHSA-N 0 3 179.267 1.308 20 0 ADADHN Cn1cc(CN[C@H]2CC[C@@H](F)C2)cn1 306677409 169040079 /nfs/dbraw/zinc/04/00/79/169040079.db2.gz YRYKVNXUAFEFOA-ZJUUUORDSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cc(CN[C@H]2CC[C@H](F)C2)cn1 306677407 169040127 /nfs/dbraw/zinc/04/01/27/169040127.db2.gz YRYKVNXUAFEFOA-UWVGGRQHSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cc(CN[C@H]2CC2(C)C)cn1 45116775 169040562 /nfs/dbraw/zinc/04/05/62/169040562.db2.gz CUENVOKEVPAGEE-VIFPVBQESA-N 0 3 179.267 1.308 20 0 ADADHN Cn1cc(CN[C@H]2CCSC2)cn1 41054634 169040648 /nfs/dbraw/zinc/04/06/48/169040648.db2.gz AWSUPCUKDDZTMW-VIFPVBQESA-N 0 3 197.307 1.015 20 0 ADADHN Cn1cc([C@@H]2NCC2(C)C)cn1 225442650 169042162 /nfs/dbraw/zinc/04/21/62/169042162.db2.gz ILBHCBYSCFDZRP-QMMMGPOBSA-N 0 3 165.240 1.091 20 0 ADADHN Cn1cc2c(n1)CCC[C@@H]2NC1CC1 107422791 169043265 /nfs/dbraw/zinc/04/32/65/169043265.db2.gz DEFWZZSIRIGEHK-JTQLQIEISA-N 0 3 191.278 1.550 20 0 ADADHN Cn1cc2c(n1)CCC[C@H]2NC1CC1 107422793 169043309 /nfs/dbraw/zinc/04/33/09/169043309.db2.gz DEFWZZSIRIGEHK-SNVBAGLBSA-N 0 3 191.278 1.550 20 0 ADADHN Cn1cc([C@H]2NCC2(C)C)cn1 225442694 169043996 /nfs/dbraw/zinc/04/39/96/169043996.db2.gz ILBHCBYSCFDZRP-MRVPVSSYSA-N 0 3 165.240 1.091 20 0 ADADHN Cn1ccc(CNC2CCCCC2)n1 112337987 169044239 /nfs/dbraw/zinc/04/42/39/169044239.db2.gz LSWQDKGAVTXKPQ-UHFFFAOYSA-N 0 3 193.294 1.842 20 0 ADADHN Cn1ccc(CNC2CSC2)c1 76607340 169044686 /nfs/dbraw/zinc/04/46/86/169044686.db2.gz RTKRAPQPDLJCFY-UHFFFAOYSA-N 0 3 182.292 1.230 20 0 ADADHN Cn1ccc(CNC2CC(C)(C)C2)n1 306674757 169044717 /nfs/dbraw/zinc/04/47/17/169044717.db2.gz RAUHFCGSCOEDRH-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1ccc(CN[C@@H]2CCCOC2)c1 76636098 169045204 /nfs/dbraw/zinc/04/52/04/169045204.db2.gz QSIZMAUHAHHYIV-LLVKDONJSA-N 0 3 194.278 1.294 20 0 ADADHN Cn1ccc(CN[C@@H]2CCC2(C)C)n1 306796042 169045427 /nfs/dbraw/zinc/04/54/27/169045427.db2.gz VPFVYXCLYOUXJJ-SNVBAGLBSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1ccc(CN2CCSCC2)c1 306933477 169045744 /nfs/dbraw/zinc/04/57/44/169045744.db2.gz DGUQAGSDMPBOPS-UHFFFAOYSA-N 0 3 196.319 1.574 20 0 ADADHN Cn1ccc(CN[C@H]2CCCOC2)c1 76636099 169046021 /nfs/dbraw/zinc/04/60/21/169046021.db2.gz QSIZMAUHAHHYIV-NSHDSACASA-N 0 3 194.278 1.294 20 0 ADADHN Cn1ccc(CN[C@H]2CCC2(C)C)n1 306796041 169046718 /nfs/dbraw/zinc/04/67/18/169046718.db2.gz VPFVYXCLYOUXJJ-JTQLQIEISA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cccc1[C@H]1CCCN1CCO 334639714 169049467 /nfs/dbraw/zinc/04/94/67/169049467.db2.gz ZHDIAHWMXSOORI-LLVKDONJSA-N 0 3 194.278 1.154 20 0 ADADHN Cn1cccc1[C@@H]1CCCN1CCO 334639715 169049939 /nfs/dbraw/zinc/04/99/39/169049939.db2.gz ZHDIAHWMXSOORI-NSHDSACASA-N 0 3 194.278 1.154 20 0 ADADHN Cn1ccnc1CN[C@@H]1CCC1(C)C 307260926 169050778 /nfs/dbraw/zinc/05/07/78/169050778.db2.gz UGMJRSUYEZXORM-SECBINFHSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1ccnc1CN[C@H]1CC[C@@H](F)C1 307148069 169050812 /nfs/dbraw/zinc/05/08/12/169050812.db2.gz PXPSHPSAMJVOQF-BDAKNGLRSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1ccnc1CN[C@@H]1CC[C@H](F)C1 307148070 169051170 /nfs/dbraw/zinc/05/11/70/169051170.db2.gz PXPSHPSAMJVOQF-DTWKUNHWSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1ccnc1CNC1CC(C)(C)C1 307511889 169051453 /nfs/dbraw/zinc/05/14/53/169051453.db2.gz LWFJDVALMBNLNL-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1ccnc1CN[C@H]1CCC1(C)C 307260927 169051881 /nfs/dbraw/zinc/05/18/81/169051881.db2.gz UGMJRSUYEZXORM-VIFPVBQESA-N 0 3 193.294 1.698 20 0 ADADHN Cn1ccnc1CNC1CCC1 52208678 169052113 /nfs/dbraw/zinc/05/21/13/169052113.db2.gz KCLRYVHEQBFJIM-UHFFFAOYSA-N 0 3 165.240 1.062 20 0 ADADHN Cn1ccnc1CN[C@H]1CC[C@H](F)C1 307148071 169052155 /nfs/dbraw/zinc/05/21/55/169052155.db2.gz PXPSHPSAMJVOQF-IUCAKERBSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1ccnc1CN[C@@H]1CC[C@@H](F)C1 307148072 169052834 /nfs/dbraw/zinc/05/28/34/169052834.db2.gz PXPSHPSAMJVOQF-RKDXNWHRSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cncc1CN[C@@H]1CCSC1 230705193 169057066 /nfs/dbraw/zinc/05/70/66/169057066.db2.gz IXPKMLVCYUAHNC-MRVPVSSYSA-N 0 3 197.307 1.015 20 0 ADADHN Cn1cncc1CN1CCC(C)(C)C1 336555273 169057486 /nfs/dbraw/zinc/05/74/86/169057486.db2.gz XKSMYHYPWVWXPJ-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN Cn1cncc1CN[C@H]1CC[C@H](F)C1 306524832 169057596 /nfs/dbraw/zinc/05/75/96/169057596.db2.gz OFKAZDMDJDFLMA-IUCAKERBSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cncc1CNC1CC(C)(C)C1 307495483 169057678 /nfs/dbraw/zinc/05/76/78/169057678.db2.gz RLFREILPKZCEGK-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cncc1CN[C@H]1CCC1(C)C 306652023 169057843 /nfs/dbraw/zinc/05/78/43/169057843.db2.gz CHSVXOQSJWQBNF-JTQLQIEISA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cncc1CN[C@@H]1CC[C@H](F)C1 306524831 169058032 /nfs/dbraw/zinc/05/80/32/169058032.db2.gz OFKAZDMDJDFLMA-DTWKUNHWSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cncc1CN[C@H]1C=CCCC1 307230670 169058142 /nfs/dbraw/zinc/05/81/42/169058142.db2.gz AOSJNZZRZMPCDL-JTQLQIEISA-N 0 3 191.278 1.618 20 0 ADADHN Cn1cncc1CN[C@H]1CCSC1 230705197 169058246 /nfs/dbraw/zinc/05/82/46/169058246.db2.gz IXPKMLVCYUAHNC-QMMMGPOBSA-N 0 3 197.307 1.015 20 0 ADADHN Cn1cncc1CN[C@@H]1C=CCCC1 307230671 169058286 /nfs/dbraw/zinc/05/82/86/169058286.db2.gz AOSJNZZRZMPCDL-SNVBAGLBSA-N 0 3 191.278 1.618 20 0 ADADHN Cn1cncc1CN[C@H]1CC[C@@H](F)C1 306524830 169058394 /nfs/dbraw/zinc/05/83/94/169058394.db2.gz OFKAZDMDJDFLMA-BDAKNGLRSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cncc1CN[C@@H]1CCC1(C)C 306652025 169058477 /nfs/dbraw/zinc/05/84/77/169058477.db2.gz CHSVXOQSJWQBNF-SNVBAGLBSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cncc1CN[C@@H]1CC[C@@H](F)C1 306524833 169058581 /nfs/dbraw/zinc/05/85/81/169058581.db2.gz OFKAZDMDJDFLMA-RKDXNWHRSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1cnnc1CNC1CCCCC1 37989137 169059208 /nfs/dbraw/zinc/05/92/08/169059208.db2.gz QMRPRTAGLGHLTM-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN Cn1cnnc1CNCCC(C)(C)C 50417411 169059347 /nfs/dbraw/zinc/05/93/47/169059347.db2.gz AHSUEROLCUHJQY-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN Cn1ncc2c1CCC[C@@H]2NC1CC1 37051406 169064994 /nfs/dbraw/zinc/06/49/94/169064994.db2.gz LCGZKDCHDDRYFJ-JTQLQIEISA-N 0 3 191.278 1.550 20 0 ADADHN Cn1ncc(Cl)c1CNC1CCC1 306361082 169065826 /nfs/dbraw/zinc/06/58/26/169065826.db2.gz ODDMZPZNCVMWLF-UHFFFAOYSA-N 0 3 199.685 1.716 20 0 ADADHN Cn1ncc2c1CCC[C@H]2NC1CC1 37051405 169066154 /nfs/dbraw/zinc/06/61/54/169066154.db2.gz LCGZKDCHDDRYFJ-SNVBAGLBSA-N 0 3 191.278 1.550 20 0 ADADHN Cn1nncc1CNC1CC(C)(C)C1 306633796 169069624 /nfs/dbraw/zinc/06/96/24/169069624.db2.gz SOKRWVUTSUCPNG-UHFFFAOYSA-N 0 3 194.282 1.093 20 0 ADADHN Cn1nncc1CN[C@H]1CCC1(C)C 306391488 169069710 /nfs/dbraw/zinc/06/97/10/169069710.db2.gz CRYGAINTQHLKSP-VIFPVBQESA-N 0 3 194.282 1.093 20 0 ADADHN Cn1nncc1CNC1CCCCC1 122068436 169069727 /nfs/dbraw/zinc/06/97/27/169069727.db2.gz AGQGBZYCCDQHST-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN Cn1nncc1CN1CCCCCC1 334832096 169069838 /nfs/dbraw/zinc/06/98/38/169069838.db2.gz XNSUNGWTIPPLKB-UHFFFAOYSA-N 0 3 194.282 1.191 20 0 ADADHN Cn1nncc1CN[C@@H]1CCC1(C)C 306391478 169070452 /nfs/dbraw/zinc/07/04/52/169070452.db2.gz CRYGAINTQHLKSP-SECBINFHSA-N 0 3 194.282 1.093 20 0 ADADHN FC(F)(F)CCN[C@@H]1CCOC1 70969612 169071504 /nfs/dbraw/zinc/07/15/04/169071504.db2.gz YGLVMLGECYIONQ-ZCFIWIBFSA-N 0 3 183.173 1.317 20 0 ADADHN FC(F)(F)CCN[C@H]1CCOC1 70969621 169071537 /nfs/dbraw/zinc/07/15/37/169071537.db2.gz YGLVMLGECYIONQ-LURJTMIESA-N 0 3 183.173 1.317 20 0 ADADHN FC(F)CNc1ccncc1 98209821 169073856 /nfs/dbraw/zinc/07/38/56/169073856.db2.gz KIDYNVZBZOEYET-UHFFFAOYSA-N 0 3 158.151 1.759 20 0 in-vitro ADADHN FC1(F)CC(NCc2cc[nH]c2)C1 306719941 169075590 /nfs/dbraw/zinc/07/55/90/169075590.db2.gz YVBUKOOGIDJGSX-UHFFFAOYSA-N 0 3 186.205 1.902 20 0 ADADHN FC1(F)CC(N[C@@H]2CCOC2)C1 307607676 169075910 /nfs/dbraw/zinc/07/59/10/169075910.db2.gz CFBARABNRKKTBQ-ZCFIWIBFSA-N 0 3 177.194 1.163 20 0 ADADHN FC1(F)CC(N[C@H]2CCCOC2)C1 307198481 169075973 /nfs/dbraw/zinc/07/59/73/169075973.db2.gz XWZRNDJYFJPNND-ZETCQYMHSA-N 0 3 191.221 1.553 20 0 ADADHN FC1(F)CC(N[C@@H]2CCCOC2)C1 307198480 169076180 /nfs/dbraw/zinc/07/61/80/169076180.db2.gz XWZRNDJYFJPNND-SSDOTTSWSA-N 0 3 191.221 1.553 20 0 ADADHN FC1(F)CC(NCc2cccnc2)C1 306239704 169076686 /nfs/dbraw/zinc/07/66/86/169076686.db2.gz JUFCARKLYLUZKW-UHFFFAOYSA-N 0 3 198.216 1.969 20 0 ADADHN FC1(F)CC(N[C@H]2CCOC2)C1 307607675 169076855 /nfs/dbraw/zinc/07/68/55/169076855.db2.gz CFBARABNRKKTBQ-LURJTMIESA-N 0 3 177.194 1.163 20 0 ADADHN FC1(F)CC(NCc2ccncc2)C1 306665197 169076968 /nfs/dbraw/zinc/07/69/68/169076968.db2.gz SXSWLMRRSDNJGJ-UHFFFAOYSA-N 0 3 198.216 1.969 20 0 ADADHN FCC1(N[C@H]2CCSC2)CCC1 335450009 169077439 /nfs/dbraw/zinc/07/74/39/169077439.db2.gz RQIDJVRYHNQZGV-QMMMGPOBSA-N 0 3 189.299 1.974 20 0 ADADHN FCCCN1CC[C@@H](F)C1 334813817 169077461 /nfs/dbraw/zinc/07/74/61/169077461.db2.gz UUEPULGZPHDWRJ-SSDOTTSWSA-N 0 3 149.184 1.390 20 0 ADADHN FCCCN1CCO[C@@H]2CCC[C@@H]21 306170848 169077625 /nfs/dbraw/zinc/07/76/25/169077625.db2.gz KYEQYMKEBFOKRM-VHSXEESVSA-N 0 3 187.258 1.599 20 0 ADADHN FCCN[C@H]1CCC12CCC2 306202913 169077922 /nfs/dbraw/zinc/07/79/22/169077922.db2.gz QLQVRTFHJRFWSB-QMMMGPOBSA-N 0 3 157.232 1.878 20 0 ADADHN FCCCN1CCO[C@H]2CCC[C@H]21 306170851 169078012 /nfs/dbraw/zinc/07/80/12/169078012.db2.gz KYEQYMKEBFOKRM-ZJUUUORDSA-N 0 3 187.258 1.599 20 0 ADADHN FCC1CCN([C@@H]2CCOC2)CC1 336259638 169078021 /nfs/dbraw/zinc/07/80/21/169078021.db2.gz APUNFTSZICJJOA-SNVBAGLBSA-N 0 3 187.258 1.457 20 0 ADADHN FCCNC1CC2(CCC2)C1 334728409 169078102 /nfs/dbraw/zinc/07/81/02/169078102.db2.gz SKZWWJHTWAROKJ-UHFFFAOYSA-N 0 3 157.232 1.878 20 0 ADADHN FCCCN1CCO[C@H]2CCC[C@@H]21 306170845 169078194 /nfs/dbraw/zinc/07/81/94/169078194.db2.gz KYEQYMKEBFOKRM-UWVGGRQHSA-N 0 3 187.258 1.599 20 0 ADADHN FCC1(N[C@H]2CCOC2)CCC1 335392951 169078456 /nfs/dbraw/zinc/07/84/56/169078456.db2.gz PBBSGKNDLYHEBF-QMMMGPOBSA-N 0 3 173.231 1.257 20 0 ADADHN FCCCN1CCO[C@@H]2CCC[C@H]21 306170843 169078833 /nfs/dbraw/zinc/07/88/33/169078833.db2.gz KYEQYMKEBFOKRM-NXEZZACHSA-N 0 3 187.258 1.599 20 0 ADADHN FCCN[C@@H]1CCC12CCC2 306202912 169078870 /nfs/dbraw/zinc/07/88/70/169078870.db2.gz QLQVRTFHJRFWSB-MRVPVSSYSA-N 0 3 157.232 1.878 20 0 ADADHN FCC1(N[C@@H]2CCSC2)CCC1 335450007 169078925 /nfs/dbraw/zinc/07/89/25/169078925.db2.gz RQIDJVRYHNQZGV-MRVPVSSYSA-N 0 3 189.299 1.974 20 0 ADADHN FCC1(N[C@@H]2CCOC2)CCC1 335392949 169078988 /nfs/dbraw/zinc/07/89/88/169078988.db2.gz PBBSGKNDLYHEBF-MRVPVSSYSA-N 0 3 173.231 1.257 20 0 ADADHN FCC1CCN([C@H]2CCOC2)CC1 336259637 169079087 /nfs/dbraw/zinc/07/90/87/169079087.db2.gz APUNFTSZICJJOA-JTQLQIEISA-N 0 3 187.258 1.457 20 0 ADADHN FCCCN1CCOC2(CCC2)C1 307744332 169079142 /nfs/dbraw/zinc/07/91/42/169079142.db2.gz OKCDXHDQCKABTM-UHFFFAOYSA-N 0 3 187.258 1.601 20 0 ADADHN FCC1CCN(Cc2cnc[nH]2)CC1 336208851 169079163 /nfs/dbraw/zinc/07/91/63/169079163.db2.gz RZDBGVOKHOIQHP-UHFFFAOYSA-N 0 3 197.257 1.591 20 0 ADADHN FCCCN1CCc2n[nH]cc2C1 306348854 169079320 /nfs/dbraw/zinc/07/93/20/169079320.db2.gz ULQBROQABFHSIS-UHFFFAOYSA-N 0 3 183.230 1.127 20 0 ADADHN FCCCN1CC[C@H](F)C1 334813821 169079397 /nfs/dbraw/zinc/07/93/97/169079397.db2.gz UUEPULGZPHDWRJ-ZETCQYMHSA-N 0 3 149.184 1.390 20 0 ADADHN F[C@H]1CCN(C[C@H]2CCCOC2)C1 335406184 169080203 /nfs/dbraw/zinc/08/02/03/169080203.db2.gz LMDUYKQODIBAKF-ZJUUUORDSA-N 0 3 187.258 1.457 20 0 ADADHN F[C@H]1CCN(C[C@@H]2CCCOC2)C1 335406182 169080214 /nfs/dbraw/zinc/08/02/14/169080214.db2.gz LMDUYKQODIBAKF-UWVGGRQHSA-N 0 3 187.258 1.457 20 0 ADADHN F[C@H]1CC[C@H](NCc2cc[nH]n2)C1 306233634 169080221 /nfs/dbraw/zinc/08/02/21/169080221.db2.gz CRJPEQWTTAXORV-YUMQZZPRSA-N 0 3 183.230 1.390 20 0 ADADHN F[C@H]1CCN(C[C@H]2CCSC2)C1 335406122 169080255 /nfs/dbraw/zinc/08/02/55/169080255.db2.gz IGHAIHDUSJLEJJ-BDAKNGLRSA-N 0 3 189.299 1.783 20 0 ADADHN F[C@H]1CCN(CC[C@@H]2CCCO2)C1 336263111 169080293 /nfs/dbraw/zinc/08/02/93/169080293.db2.gz RUGJKQPSUOSWCU-UWVGGRQHSA-N 0 3 187.258 1.599 20 0 ADADHN F[C@H]1CC[C@@H](NCc2ncc[nH]2)C1 307386942 169080459 /nfs/dbraw/zinc/08/04/59/169080459.db2.gz BZRMEVYPMFVXMD-JGVFFNPUSA-N 0 3 183.230 1.390 20 0 ADADHN F[C@H]1CC[C@@H](NCc2cc[nH]n2)C1 306233632 169080505 /nfs/dbraw/zinc/08/05/05/169080505.db2.gz CRJPEQWTTAXORV-JGVFFNPUSA-N 0 3 183.230 1.390 20 0 ADADHN F[C@H]1CCN(CC[C@@H]2CCOC2)C1 335406706 169080536 /nfs/dbraw/zinc/08/05/36/169080536.db2.gz MLBSIJXUMZEESM-ZJUUUORDSA-N 0 3 187.258 1.457 20 0 ADADHN F[C@H]1CCN(C[C@@H]2CCSC2)C1 335406124 169080544 /nfs/dbraw/zinc/08/05/44/169080544.db2.gz IGHAIHDUSJLEJJ-IUCAKERBSA-N 0 3 189.299 1.783 20 0 ADADHN F[C@H]1CCN(CC[C@H]2CCCO2)C1 336263112 169080552 /nfs/dbraw/zinc/08/05/52/169080552.db2.gz RUGJKQPSUOSWCU-VHSXEESVSA-N 0 3 187.258 1.599 20 0 ADADHN F[C@H]1CC[C@H](NCc2cncnc2)C1 307353594 169080677 /nfs/dbraw/zinc/08/06/77/169080677.db2.gz RTXCXNQPGRCHBZ-UWVGGRQHSA-N 0 3 195.241 1.457 20 0 ADADHN F[C@H]1CCN(CCC2CC2)C1 334702318 169080794 /nfs/dbraw/zinc/08/07/94/169080794.db2.gz QHJRIXSGQHUPTR-VIFPVBQESA-N 0 3 157.232 1.830 20 0 ADADHN F[C@H]1CC[C@H](NCc2ncc[nH]2)C1 307386944 169080842 /nfs/dbraw/zinc/08/08/42/169080842.db2.gz BZRMEVYPMFVXMD-YUMQZZPRSA-N 0 3 183.230 1.390 20 0 ADADHN F[C@H]1CC[C@@H](NCc2cncnc2)C1 307353595 169080870 /nfs/dbraw/zinc/08/08/70/169080870.db2.gz RTXCXNQPGRCHBZ-VHSXEESVSA-N 0 3 195.241 1.457 20 0 ADADHN F[C@H]1CCN(CC[C@H]2CCOC2)C1 335406704 169080894 /nfs/dbraw/zinc/08/08/94/169080894.db2.gz MLBSIJXUMZEESM-UWVGGRQHSA-N 0 3 187.258 1.457 20 0 ADADHN Fc1ccc(CN[C@@H]2CCOC2)cc1 70963978 169082469 /nfs/dbraw/zinc/08/24/69/169082469.db2.gz RTIYYFJJTVXPMC-LLVKDONJSA-N 0 3 195.237 1.704 20 0 ADADHN Fc1ccc(C[C@H]2CNCCO2)cc1 71507036 169082614 /nfs/dbraw/zinc/08/26/14/169082614.db2.gz KDCBKWVMFCKDAK-NSHDSACASA-N 0 3 195.237 1.357 20 0 ADADHN Fc1ccc(C[C@@H]2CNCCO2)cc1 71507035 169083175 /nfs/dbraw/zinc/08/31/75/169083175.db2.gz KDCBKWVMFCKDAK-LLVKDONJSA-N 0 3 195.237 1.357 20 0 ADADHN Fc1ccc(CN[C@H]2CCOC2)cc1 70963983 169083572 /nfs/dbraw/zinc/08/35/72/169083572.db2.gz RTIYYFJJTVXPMC-NSHDSACASA-N 0 3 195.237 1.704 20 0 ADADHN Fc1ccc(C[C@H]2COCCN2)cc1 71507006 169083778 /nfs/dbraw/zinc/08/37/78/169083778.db2.gz UIZCYZPPCHSWPW-NSHDSACASA-N 0 3 195.237 1.357 20 0 ADADHN Fc1ccc(C[C@@H]2COCCN2)cc1 71507005 169083807 /nfs/dbraw/zinc/08/38/07/169083807.db2.gz UIZCYZPPCHSWPW-LLVKDONJSA-N 0 3 195.237 1.357 20 0 ADADHN Fc1cccc(CN[C@@H]2CCOC2)c1 70965213 169085416 /nfs/dbraw/zinc/08/54/16/169085416.db2.gz PXVKRJHKALQSJV-LLVKDONJSA-N 0 3 195.237 1.704 20 0 ADADHN Fc1cccc(CN[C@H]2CCOC2)c1 70965218 169086732 /nfs/dbraw/zinc/08/67/32/169086732.db2.gz PXVKRJHKALQSJV-NSHDSACASA-N 0 3 195.237 1.704 20 0 ADADHN Fc1ccccc1CN[C@H]1CCOC1 70964019 169087722 /nfs/dbraw/zinc/08/77/22/169087722.db2.gz ZVQDKMDFLFHRMF-JTQLQIEISA-N 0 3 195.237 1.704 20 0 ADADHN Fc1ccccc1CN[C@@H]1CCOC1 70964015 169088004 /nfs/dbraw/zinc/08/80/04/169088004.db2.gz ZVQDKMDFLFHRMF-SNVBAGLBSA-N 0 3 195.237 1.704 20 0 ADADHN Fc1cccnc1[C@H]1CCCN1 32914753 169089027 /nfs/dbraw/zinc/08/90/27/169089027.db2.gz AICJMGXBUYILIY-MRVPVSSYSA-N 0 3 166.199 1.645 20 0 ADADHN Fc1cccnc1[C@@H]1CCCN1 32914751 169089441 /nfs/dbraw/zinc/08/94/41/169089441.db2.gz AICJMGXBUYILIY-QMMMGPOBSA-N 0 3 166.199 1.645 20 0 ADADHN N=C(N)c1cc(-c2ccoc2)ccn1 71186698 169138916 /nfs/dbraw/zinc/13/89/16/169138916.db2.gz JUFVUJDSZIRQDV-UHFFFAOYSA-N 0 3 187.202 1.626 20 0 ADADHN N=C(N)c1cc(-c2ccco2)ccn1 71186699 169139120 /nfs/dbraw/zinc/13/91/20/169139120.db2.gz ISSIGXXASMSBBD-UHFFFAOYSA-N 0 3 187.202 1.626 20 0 ADADHN N=C(N)c1cc(Cl)cc(Cl)n1 71186704 169139398 /nfs/dbraw/zinc/13/93/98/169139398.db2.gz AWDNXEMCJGNFTP-UHFFFAOYSA-N 0 3 190.033 1.672 20 0 ADADHN N=C(N)c1ccc(-c2ccco2)cn1 71186700 169139790 /nfs/dbraw/zinc/13/97/90/169139790.db2.gz SLDQJAVBRWNNIE-UHFFFAOYSA-N 0 3 187.202 1.626 20 0 ADADHN N=C(N)c1cc(-n2cccc2)ccn1 71186696 169139833 /nfs/dbraw/zinc/13/98/33/169139833.db2.gz OIKYAECQKVKKIF-UHFFFAOYSA-N 0 3 186.218 1.156 20 0 ADADHN N=C(N)c1cccnc1C(F)(F)F 75895902 169140834 /nfs/dbraw/zinc/14/08/34/169140834.db2.gz AQYWIWCNDACDSY-UHFFFAOYSA-N 0 3 189.140 1.384 20 0 ADADHN N=C(N)c1ccc2cccc(F)c2n1 62612041 169141529 /nfs/dbraw/zinc/14/15/29/169141529.db2.gz OYKLMDKLJZJXON-UHFFFAOYSA-N 0 3 189.193 1.658 20 0 ADADHN N=C(N)c1cccc(-c2ccco2)n1 71186697 169141600 /nfs/dbraw/zinc/14/16/00/169141600.db2.gz UXKYTZJREKUCMK-UHFFFAOYSA-N 0 3 187.202 1.626 20 0 ADADHN NC(=O)CN[C@H]1CCC12CCCC2 336255040 169142457 /nfs/dbraw/zinc/14/24/57/169142457.db2.gz ODVLTGFDCFORDU-QMMMGPOBSA-N 0 3 182.267 1.834 20 0 ADADHN NC(=O)CN[C@@H]1CCC12CCCC2 336255039 169142601 /nfs/dbraw/zinc/14/26/01/169142601.db2.gz ODVLTGFDCFORDU-MRVPVSSYSA-N 0 3 182.267 1.834 20 0 ADADHN NC(=O)[C@H]1CN(CC2CCC2)CCO1 335801063 169142777 /nfs/dbraw/zinc/14/27/77/169142777.db2.gz WQTCQPHXPPUGPQ-SECBINFHSA-N 0 3 198.266 1.023 20 0 ADADHN NC(=O)C1(NC2CC3(CCC3)C2)CC1 334512433 169142851 /nfs/dbraw/zinc/14/28/51/169142851.db2.gz ZXBAVPINLYYRHY-UHFFFAOYSA-N 0 3 194.278 1.977 20 0 ADADHN NC(=O)CN1CCC[C@H]2COCC[C@@H]21 336526283 169143043 /nfs/dbraw/zinc/14/30/43/169143043.db2.gz ZRDGOVGPMNLLBA-IUCAKERBSA-N 0 3 198.266 1.023 20 0 ADADHN NC(=O)CN1CCC[C@@H]2COCC[C@@H]21 336526279 169143098 /nfs/dbraw/zinc/14/30/98/169143098.db2.gz ZRDGOVGPMNLLBA-BDAKNGLRSA-N 0 3 198.266 1.023 20 0 ADADHN NC(=O)[C@@H]1CN(CC2CCC2)CCO1 335801065 169143343 /nfs/dbraw/zinc/14/33/43/169143343.db2.gz WQTCQPHXPPUGPQ-VIFPVBQESA-N 0 3 198.266 1.023 20 0 ADADHN NC(=O)CN1CCC[C@@H]2COCC[C@H]21 336526286 169143362 /nfs/dbraw/zinc/14/33/62/169143362.db2.gz ZRDGOVGPMNLLBA-RKDXNWHRSA-N 0 3 198.266 1.023 20 0 ADADHN NC(=O)CN1CCC[C@H]2COCC[C@H]21 336526281 169143444 /nfs/dbraw/zinc/14/34/44/169143444.db2.gz ZRDGOVGPMNLLBA-DTWKUNHWSA-N 0 3 198.266 1.023 20 0 ADADHN N=C1Cc2ccccc2N1 100761636 169144676 /nfs/dbraw/zinc/14/46/76/169144676.db2.gz XGUYQMRMCDSQLX-UHFFFAOYSA-N 0 3 132.166 1.632 20 0 in-vitro ADADHN NC(=O)CN1CCC[C@H]2CCCC[C@H]21 48695327 169150840 /nfs/dbraw/zinc/15/08/40/169150840.db2.gz UVRJLAFIQMERRL-NXEZZACHSA-N 0 3 196.294 1.126 20 0 ADADHN NC(=O)CN1CCC[C@@H]2CCCC[C@H]21 48695323 169151453 /nfs/dbraw/zinc/15/14/53/169151453.db2.gz UVRJLAFIQMERRL-VHSXEESVSA-N 0 3 196.294 1.126 20 0 ADADHN NC(=O)CN1CCC2(CCCC2)CC1 62955579 169152164 /nfs/dbraw/zinc/15/21/64/169152164.db2.gz NGNAYNFRTLJNBK-UHFFFAOYSA-N 0 3 196.294 1.128 20 0 ADADHN NC(=O)CN1CCC[C@@H]2CCCC[C@@H]21 48695325 169152198 /nfs/dbraw/zinc/15/21/98/169152198.db2.gz UVRJLAFIQMERRL-UWVGGRQHSA-N 0 3 196.294 1.126 20 0 ADADHN NC(=O)CN1CCC[C@H]2CCCC[C@@H]21 48695328 169152223 /nfs/dbraw/zinc/15/22/23/169152223.db2.gz UVRJLAFIQMERRL-ZJUUUORDSA-N 0 3 196.294 1.126 20 0 ADADHN NC(=S)[C@@H](N)c1ccc(F)cc1 68577634 169166181 /nfs/dbraw/zinc/16/61/81/169166181.db2.gz OHWCJIJJVJFKEU-ZETCQYMHSA-N 0 3 184.239 1.112 20 0 ADADHN NC(=S)[C@H](N)c1ccc(F)cc1 68577635 169167029 /nfs/dbraw/zinc/16/70/29/169167029.db2.gz OHWCJIJJVJFKEU-SSDOTTSWSA-N 0 3 184.239 1.112 20 0 ADADHN NCC(=O)NC1CCCCCCC1 19512312 169174343 /nfs/dbraw/zinc/17/43/43/169174343.db2.gz JRSQVQFHCIYEBO-UHFFFAOYSA-N 0 3 184.283 1.174 20 0 ADADHN NCC(=O)NCCC1CCCCC1 37740181 169174493 /nfs/dbraw/zinc/17/44/93/169174493.db2.gz FPJISECYBIDKNR-UHFFFAOYSA-N 0 3 184.283 1.032 20 0 ADADHN NC[C@@H](N)c1cc(Cl)ccc1F 72200335 169202525 /nfs/dbraw/zinc/20/25/25/169202525.db2.gz FDGXDKTWIWJREK-MRVPVSSYSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@@H](F)c1cccc(F)c1 39088708 169202777 /nfs/dbraw/zinc/20/27/77/169202777.db2.gz AFAMNAMAWXDQEV-MRVPVSSYSA-N 0 3 157.163 1.795 20 0 ADADHN NC[C@@H](N)c1cc(F)c(F)cc1F 72200341 169202876 /nfs/dbraw/zinc/20/28/76/169202876.db2.gz JABXHLFVWSFRKY-MRVPVSSYSA-N 0 3 190.168 1.062 20 0 ADADHN NC[C@@H](N)c1cccc(Cl)c1F 72200327 169202909 /nfs/dbraw/zinc/20/29/09/169202909.db2.gz NMVRCSZPWAPRAY-SSDOTTSWSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@@H](F)c1ccc(F)cc1 39088738 169203239 /nfs/dbraw/zinc/20/32/39/169203239.db2.gz YRGZSEJVNHZQSA-MRVPVSSYSA-N 0 3 157.163 1.795 20 0 ADADHN NC[C@@H](N)c1ccc(Cl)cc1F 72200325 169203736 /nfs/dbraw/zinc/20/37/36/169203736.db2.gz VKAXPRBLNWSZTR-MRVPVSSYSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@@H](N)c1cccc(F)c1Cl 72200337 169203809 /nfs/dbraw/zinc/20/38/09/169203809.db2.gz MDRSNVUIBDECBJ-SSDOTTSWSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@@H](N)c1ccc(F)c(F)c1F 72200345 169204053 /nfs/dbraw/zinc/20/40/53/169204053.db2.gz TVDNQPLEOCZLRY-ZCFIWIBFSA-N 0 3 190.168 1.062 20 0 ADADHN NC[C@@H](O)c1coc2ccccc12 82869368 169204821 /nfs/dbraw/zinc/20/48/21/169204821.db2.gz CHGUYHUQYBUNHB-SECBINFHSA-N 0 3 177.203 1.425 20 0 ADADHN NC[C@H](F)c1ccc(F)cc1 39088739 169211754 /nfs/dbraw/zinc/21/17/54/169211754.db2.gz YRGZSEJVNHZQSA-QMMMGPOBSA-N 0 3 157.163 1.795 20 0 ADADHN NC[C@H](F)c1cccc(F)c1 39088709 169212086 /nfs/dbraw/zinc/21/20/86/169212086.db2.gz AFAMNAMAWXDQEV-QMMMGPOBSA-N 0 3 157.163 1.795 20 0 ADADHN NC[C@H](N)c1ccc(F)c(F)c1F 72200346 169212258 /nfs/dbraw/zinc/21/22/58/169212258.db2.gz TVDNQPLEOCZLRY-LURJTMIESA-N 0 3 190.168 1.062 20 0 ADADHN NC[C@H](N)c1cccc(F)c1Cl 72200338 169212300 /nfs/dbraw/zinc/21/23/00/169212300.db2.gz MDRSNVUIBDECBJ-ZETCQYMHSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@H](N)c1ccc(Cl)cc1F 72200326 169212569 /nfs/dbraw/zinc/21/25/69/169212569.db2.gz VKAXPRBLNWSZTR-QMMMGPOBSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@H](N)c1cccc(Cl)c1F 72200328 169213038 /nfs/dbraw/zinc/21/30/38/169213038.db2.gz NMVRCSZPWAPRAY-ZETCQYMHSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@H](N)c1cc(F)c(F)cc1F 72200342 169213061 /nfs/dbraw/zinc/21/30/61/169213061.db2.gz JABXHLFVWSFRKY-QMMMGPOBSA-N 0 3 190.168 1.062 20 0 ADADHN NC[C@H](N)c1cc(Cl)ccc1F 72200336 169213249 /nfs/dbraw/zinc/21/32/49/169213249.db2.gz FDGXDKTWIWJREK-QMMMGPOBSA-N 0 3 188.633 1.438 20 0 ADADHN NC[C@H](O)c1coc2ccccc12 82869369 169213828 /nfs/dbraw/zinc/21/38/28/169213828.db2.gz CHGUYHUQYBUNHB-VIFPVBQESA-N 0 3 177.203 1.425 20 0 ADADHN NCc1cc(C2CCCC2)ncn1 82398139 169218351 /nfs/dbraw/zinc/21/83/51/169218351.db2.gz XXIVAHXTCKXTND-UHFFFAOYSA-N 0 3 177.251 1.593 20 0 ADADHN NCc1c(N)cc(F)cc1F 82632269 169218737 /nfs/dbraw/zinc/21/87/37/169218737.db2.gz GOLNUDGJTMQIMP-UHFFFAOYSA-N 0 3 158.151 1.006 20 0 ADADHN [NH3+]Cc1c[n-]c2c(F)cccc2c1=O 82636710 169219018 /nfs/dbraw/zinc/21/90/18/169219018.db2.gz KKSQGWYCMAIUNX-UHFFFAOYSA-N 0 3 192.193 1.126 20 0 ADADHN NCc1c(Cl)ccnc1F 95768771 169219108 /nfs/dbraw/zinc/21/91/08/169219108.db2.gz CMZKQGFAEDXSFJ-UHFFFAOYSA-N 0 3 160.579 1.333 20 0 ADADHN NCc1cc(-c2cccc(F)c2)n[nH]1 50478874 169219215 /nfs/dbraw/zinc/21/92/15/169219215.db2.gz GQYCVAHTLICTBP-UHFFFAOYSA-N 0 3 191.209 1.675 20 0 ADADHN NCc1c[nH]nc1C1CCCC1 82632796 169219308 /nfs/dbraw/zinc/21/93/08/169219308.db2.gz UBUAMGBPUGMZRL-UHFFFAOYSA-N 0 3 165.240 1.526 20 0 ADADHN NCc1cc(N)cc(F)c1F 82632278 169220082 /nfs/dbraw/zinc/22/00/82/169220082.db2.gz PQQPZRHYJFYFCY-UHFFFAOYSA-N 0 3 158.151 1.006 20 0 ADADHN NCc1cc2cc[nH]c2cn1 34577782 169220476 /nfs/dbraw/zinc/22/04/76/169220476.db2.gz AXCSAAHUNFWNFI-UHFFFAOYSA-N 0 3 147.181 1.022 20 0 ADADHN NCc1cc2cccc(F)c2[nH]1 82452065 169220513 /nfs/dbraw/zinc/22/05/13/169220513.db2.gz SWULEMIESXIUCH-UHFFFAOYSA-N 0 3 164.183 1.766 20 0 in-vitro ADADHN NCc1cc(Cl)cnc1Cl 83340293 169220522 /nfs/dbraw/zinc/22/05/22/169220522.db2.gz FEIWCMNNGCRORZ-UHFFFAOYSA-N 0 3 177.034 1.847 20 0 ADADHN NCc1cc2ccc(F)cc2[nH]1 82632620 169220850 /nfs/dbraw/zinc/22/08/50/169220850.db2.gz RCQZUPSSNKGMLF-UHFFFAOYSA-N 0 3 164.183 1.766 20 0 ADADHN NCc1ccc(Cl)nc1F 71654874 169221596 /nfs/dbraw/zinc/22/15/96/169221596.db2.gz NWZGCCSOYZFCSE-UHFFFAOYSA-N 0 3 160.579 1.333 20 0 ADADHN NCc1ccc(-c2cccnc2)nc1 96094093 169221834 /nfs/dbraw/zinc/22/18/34/169221834.db2.gz KOZBNOXFGYISRR-UHFFFAOYSA-N 0 3 185.230 1.602 20 0 ADADHN [NH3+]Cc1ccc([O-])c2ccoc12 82850625 169223402 /nfs/dbraw/zinc/22/34/02/169223402.db2.gz GXJKZWCAONAROL-UHFFFAOYSA-N 0 3 163.176 1.597 20 0 ADADHN NCc1ccccc1NC(=O)C1CC1 70162322 169224044 /nfs/dbraw/zinc/22/40/44/169224044.db2.gz BGQYZYFEGFQJKL-UHFFFAOYSA-N 0 3 190.246 1.494 20 0 ADADHN [NH3+]Cc1cccc([O-])c1C(F)(F)F 95724748 169224535 /nfs/dbraw/zinc/22/45/35/169224535.db2.gz SWASHFUXFHZKRR-UHFFFAOYSA-N 0 3 191.152 1.870 20 0 ADADHN NCc1cccc(-c2cccnc2)n1 238631557 169224539 /nfs/dbraw/zinc/22/45/39/169224539.db2.gz CMZJBDBBCFRXPL-UHFFFAOYSA-N 0 3 185.230 1.602 20 0 ADADHN NCc1ccnc(-c2ccsc2)n1 54791111 169225375 /nfs/dbraw/zinc/22/53/75/169225375.db2.gz IPDVJHWEWDVNSD-UHFFFAOYSA-N 0 3 191.259 1.664 20 0 ADADHN NCc1cn2ccc(Cl)cc2n1 74376304 169225514 /nfs/dbraw/zinc/22/55/14/169225514.db2.gz BLXZRYWMAXIUSS-UHFFFAOYSA-N 0 3 181.626 1.446 20 0 ADADHN NCc1ccnc(C2CCCC2)n1 54791075 169225664 /nfs/dbraw/zinc/22/56/64/169225664.db2.gz HGDNLZGNIQNXSZ-UHFFFAOYSA-N 0 3 177.251 1.593 20 0 ADADHN NCc1cnc(-c2ccccc2)nc1 36379897 169225720 /nfs/dbraw/zinc/22/57/20/169225720.db2.gz VEYBWISUTPJSKE-UHFFFAOYSA-N 0 3 185.230 1.602 20 0 ADADHN NCc1ccncc1OCC(F)F 149502125 169225797 /nfs/dbraw/zinc/22/57/97/169225797.db2.gz NZNJOUZNZPSTKY-UHFFFAOYSA-N 0 3 188.177 1.184 20 0 in-vitro ADADHN NCc1cn(C2CCCCC2)nn1 50224606 169225800 /nfs/dbraw/zinc/22/58/00/169225800.db2.gz XIGSJZAOFVSAAV-UHFFFAOYSA-N 0 3 180.255 1.242 20 0 ADADHN NCc1ccnc(Cc2ccccc2)n1 54791081 169225812 /nfs/dbraw/zinc/22/58/12/169225812.db2.gz AYDLUUJKJFQILG-UHFFFAOYSA-N 0 3 199.257 1.526 20 0 ADADHN NCc1ccnc(-c2ccco2)n1 54791126 169225823 /nfs/dbraw/zinc/22/58/23/169225823.db2.gz WATAAXUFSZILSV-UHFFFAOYSA-N 0 3 175.191 1.195 20 0 ADADHN NCc1ccnc(C2CCCCC2)n1 54791084 169225957 /nfs/dbraw/zinc/22/59/57/169225957.db2.gz GSMIUOSFLJZBJA-UHFFFAOYSA-N 0 3 191.278 1.983 20 0 ADADHN NCc1ccnc(-c2cccs2)n1 54791089 169226014 /nfs/dbraw/zinc/22/60/14/169226014.db2.gz WFNNDQLAZXGXTI-UHFFFAOYSA-N 0 3 191.259 1.664 20 0 ADADHN NCc1cn2cccc(Cl)c2n1 82696285 169226141 /nfs/dbraw/zinc/22/61/41/169226141.db2.gz YWLRACIPQXRWMI-UHFFFAOYSA-N 0 3 181.626 1.446 20 0 ADADHN NCc1ccnc(-c2ccccc2)n1 45206101 169226146 /nfs/dbraw/zinc/22/61/46/169226146.db2.gz VSGYXILAPHTAGU-UHFFFAOYSA-N 0 3 185.230 1.602 20 0 ADADHN NCc1cn(CC2CCCCC2)nn1 50224602 169226184 /nfs/dbraw/zinc/22/61/84/169226184.db2.gz BKMGELPPCPUMLU-UHFFFAOYSA-N 0 3 194.282 1.317 20 0 ADADHN NCc1cncc(OC(F)(F)F)c1 95760862 169226647 /nfs/dbraw/zinc/22/66/47/169226647.db2.gz UECSHQFPKJKSQM-UHFFFAOYSA-N 0 3 192.140 1.439 20 0 ADADHN NCc1cncn1-c1ccccc1 82633928 169226947 /nfs/dbraw/zinc/22/69/47/169226947.db2.gz PRFFPDSBSUAKQB-UHFFFAOYSA-N 0 3 173.219 1.331 20 0 ADADHN NCc1cncc(-c2nncs2)c1 91351601 169227178 /nfs/dbraw/zinc/22/71/78/169227178.db2.gz HDRJMNDJRZZCST-UHFFFAOYSA-N 0 3 192.247 1.059 20 0 ADADHN NCc1cncc(-c2ccccn2)c1 91351656 169227199 /nfs/dbraw/zinc/22/71/99/169227199.db2.gz LFGOAEFVZNDKOU-UHFFFAOYSA-N 0 3 185.230 1.602 20 0 ADADHN NCc1cncc(-c2ccoc2)c1 91351646 169227344 /nfs/dbraw/zinc/22/73/44/169227344.db2.gz NMRNPOLCWSRQFU-UHFFFAOYSA-N 0 3 174.203 1.800 20 0 ADADHN NCc1cncc(-c2ccncc2)c1 82635711 169227382 /nfs/dbraw/zinc/22/73/82/169227382.db2.gz XXJMEPZSYKBOTK-UHFFFAOYSA-N 0 3 185.230 1.602 20 0 ADADHN NCc1cnn(CC2CCCCC2)c1 54716773 169227578 /nfs/dbraw/zinc/22/75/78/169227578.db2.gz CFHYZNIBEHCILB-UHFFFAOYSA-N 0 3 193.294 1.922 20 0 ADADHN NCc1cnc2occc2c1 82840018 169227882 /nfs/dbraw/zinc/22/78/82/169227882.db2.gz XXJPYCJRPUTHCY-UHFFFAOYSA-N 0 3 148.165 1.287 20 0 ADADHN NCc1cnn(CC2CCC2)c1 83841974 169227905 /nfs/dbraw/zinc/22/79/05/169227905.db2.gz MVRGVHIIHSYPAH-UHFFFAOYSA-N 0 3 165.240 1.142 20 0 ADADHN NCc1cncc(-c2cncs2)c1 91351663 169227937 /nfs/dbraw/zinc/22/79/37/169227937.db2.gz YJDMAABPEIAGDN-UHFFFAOYSA-N 0 3 191.259 1.664 20 0 ADADHN NCc1[nH]nc2cc(F)cc(F)c12 95930579 169228656 /nfs/dbraw/zinc/22/86/56/169228656.db2.gz HNANGWCPWVJRNU-UHFFFAOYSA-N 0 3 183.161 1.300 20 0 ADADHN NCc1csc(-c2ccoc2)n1 63046831 169229699 /nfs/dbraw/zinc/22/96/99/169229699.db2.gz MVYXUFGPSZCXMY-UHFFFAOYSA-N 0 3 180.232 1.862 20 0 ADADHN NCc1coc2ncccc12 24429122 169229765 /nfs/dbraw/zinc/22/97/65/169229765.db2.gz KSKJBZHKQZSODN-UHFFFAOYSA-N 0 3 148.165 1.287 20 0 ADADHN NCc1cscc1OC1CC1 90394379 169229830 /nfs/dbraw/zinc/22/98/30/169229830.db2.gz HXJPCEBLARNRRV-UHFFFAOYSA-N 0 3 169.249 1.748 20 0 ADADHN NCc1nccc2scnc12 74339170 169230417 /nfs/dbraw/zinc/23/04/17/169230417.db2.gz WSRWRWFNJGCGRQ-UHFFFAOYSA-N 0 3 165.221 1.150 20 0 ADADHN NCc1ncoc1-c1ccsc1 82634947 169230596 /nfs/dbraw/zinc/23/05/96/169230596.db2.gz KSCWMIBSGBFCRN-UHFFFAOYSA-N 0 3 180.232 1.862 20 0 ADADHN NCc1ncoc1-c1ccccc1 74941735 169230806 /nfs/dbraw/zinc/23/08/06/169230806.db2.gz WDSJMHVEHRAEBR-UHFFFAOYSA-N 0 3 174.203 1.800 20 0 in-vitro ADADHN NCc1nccnc1-c1cccs1 82530427 169230883 /nfs/dbraw/zinc/23/08/83/169230883.db2.gz VQQXPKYXAAFUTJ-UHFFFAOYSA-N 0 3 191.259 1.664 20 0 ADADHN NCc1ncoc1-c1cccs1 82634944 169231139 /nfs/dbraw/zinc/23/11/39/169231139.db2.gz PLTPXYJKWBNMOH-UHFFFAOYSA-N 0 3 180.232 1.862 20 0 ADADHN NCc1nccnc1-c1ccccc1 82529877 169231363 /nfs/dbraw/zinc/23/13/63/169231363.db2.gz YBRFKRZYYBLASQ-UHFFFAOYSA-N 0 3 185.230 1.602 20 0 ADADHN NCc1nc2ccccn2c1Cl 83253544 169231617 /nfs/dbraw/zinc/23/16/17/169231617.db2.gz NBSIZJDUDSHRAP-UHFFFAOYSA-N 0 3 181.626 1.446 20 0 ADADHN NCc1sccc1F 82836715 169232381 /nfs/dbraw/zinc/23/23/81/169232381.db2.gz BPKYIZAYIBRZBQ-UHFFFAOYSA-N 0 3 131.175 1.346 20 0 ADADHN N[C@@H](C(=O)NC1CC1)C1CCCCC1 77296063 169241771 /nfs/dbraw/zinc/24/17/71/169241771.db2.gz MLIWRHQOBONJJD-SNVBAGLBSA-N 0 3 196.294 1.173 20 0 ADADHN N[C@@H](C(=O)NC1CCCC1)C1CCC1 306745599 169241825 /nfs/dbraw/zinc/24/18/25/169241825.db2.gz APZDWDBUQULDQK-SNVBAGLBSA-N 0 3 196.294 1.173 20 0 ADADHN N[C@@H](C(=O)N1CCCCC1)C1CCC1 306972261 169242485 /nfs/dbraw/zinc/24/24/85/169242485.db2.gz UEJYUXNAHFOYBK-SNVBAGLBSA-N 0 3 196.294 1.126 20 0 ADADHN N[C@@H](CF)c1ccc2c(c1)OCO2 20285920 169244325 /nfs/dbraw/zinc/24/43/25/169244325.db2.gz OPMHHCIMSYBWNI-ZETCQYMHSA-N 0 3 183.182 1.385 20 0 ADADHN N[C@@H](CCO)c1ccc(Cl)cn1 83276796 169244365 /nfs/dbraw/zinc/24/43/65/169244365.db2.gz RYKKMPYHBHEINL-ZETCQYMHSA-N 0 3 186.642 1.117 20 0 ADADHN N[C@@H](CF)c1ccc2c(c1)OCCO2 20285914 169244995 /nfs/dbraw/zinc/24/49/95/169244995.db2.gz BMYPPLZCPSWQBC-QMMMGPOBSA-N 0 3 197.209 1.427 20 0 ADADHN N[C@@H](CCO)c1cccnc1Cl 95077216 169245129 /nfs/dbraw/zinc/24/51/29/169245129.db2.gz UBSVHMZWGPWGPE-ZETCQYMHSA-N 0 3 186.642 1.117 20 0 ADADHN N[C@@H](CO)c1cc(F)ccc1Cl 72197662 169245483 /nfs/dbraw/zinc/24/54/83/169245483.db2.gz NJCRJRKCTSAZTQ-QMMMGPOBSA-N 0 3 189.617 1.471 20 0 ADADHN N[C@@H](CO)c1ccc(O)cc1Cl 72197609 169245915 /nfs/dbraw/zinc/24/59/15/169245915.db2.gz YMYNFWFRFCTWEX-QMMMGPOBSA-N 0 3 187.626 1.038 20 0 ADADHN N[C@@H](CO)c1ccc(F)cc1Cl 72197660 169246186 /nfs/dbraw/zinc/24/61/86/169246186.db2.gz YYOIWLGZZGFMGF-QMMMGPOBSA-N 0 3 189.617 1.471 20 0 ADADHN N[C@@H](CO)c1cc(F)cc(Cl)c1 72197658 169246661 /nfs/dbraw/zinc/24/66/61/169246661.db2.gz PSEARNCXRNCEIO-QMMMGPOBSA-N 0 3 189.617 1.471 20 0 ADADHN N[C@@H](CO)c1ccc2ncccc2c1 69050974 169246707 /nfs/dbraw/zinc/24/67/07/169246707.db2.gz KSUDWYDDYBJRHF-JTQLQIEISA-N 0 3 188.230 1.227 20 0 ADADHN N[C@@H](c1ccccn1)C1CCOCC1 68956958 169248807 /nfs/dbraw/zinc/24/88/07/169248807.db2.gz RAQZBBDKNHBWRW-LLVKDONJSA-N 0 3 192.262 1.508 20 0 ADADHN N[C@@H](c1cc(C2CC2)on1)C1CC1 91351781 169248968 /nfs/dbraw/zinc/24/89/68/169248968.db2.gz YLKSKELDBVJQII-SNVBAGLBSA-N 0 3 178.235 1.962 20 0 ADADHN N[C@@H](c1ccccc1)C1(CO)CCC1 238854639 169249212 /nfs/dbraw/zinc/24/92/12/169249212.db2.gz OQIOVDLNYHDZBT-NSHDSACASA-N 0 3 191.274 1.849 20 0 in-vitro ADADHN N[C@@H](c1ccc(F)cc1)C1(O)CCC1 90411134 169249344 /nfs/dbraw/zinc/24/93/44/169249344.db2.gz JAQRAAODBNKKSG-JTQLQIEISA-N 0 3 195.237 1.741 20 0 ADADHN N[C@@H](c1ccco1)C1CCOCC1 61672206 169249389 /nfs/dbraw/zinc/24/93/89/169249389.db2.gz HISLEKGKPCLRJO-SNVBAGLBSA-N 0 3 181.235 1.706 20 0 ADADHN N[C@@H](c1ccccn1)C1CCC1 84329893 169250042 /nfs/dbraw/zinc/25/00/42/169250042.db2.gz FASZCMBNRAFLOT-SNVBAGLBSA-N 0 3 162.236 1.882 20 0 ADADHN N[C@@H]1CCC(=O)Nc2ccsc21 82395217 169250407 /nfs/dbraw/zinc/25/04/07/169250407.db2.gz ZJUPBXDPJMHBDD-RXMQYKEDSA-N 0 3 182.248 1.480 20 0 ADADHN N[C@@H]1CC2(CCCC2)CCC1=O 98095895 169251098 /nfs/dbraw/zinc/25/10/98/169251098.db2.gz WCTYBCPOAXEIAL-MRVPVSSYSA-N 0 3 167.252 1.627 20 0 ADADHN N[C@@H]1CC(=O)c2cc(F)c(F)cc21 95221066 169251315 /nfs/dbraw/zinc/25/13/15/169251315.db2.gz XNYIPDLHDWBKKF-MRVPVSSYSA-N 0 3 183.157 1.551 20 0 ADADHN N[C@@H]1CCCc2c1sc1nccn21 95883864 169253105 /nfs/dbraw/zinc/25/31/05/169253105.db2.gz BCXLNHUGNKSPAH-ZCFIWIBFSA-N 0 3 193.275 1.732 20 0 ADADHN N[C@@H]1CCOc2cc(F)c(F)cc21 95639004 169254073 /nfs/dbraw/zinc/25/40/73/169254073.db2.gz GOQOIXARHKVMLS-MRVPVSSYSA-N 0 3 185.173 1.747 20 0 ADADHN N[C@@H]1CCNc2ccc(F)cc21 68575594 169254867 /nfs/dbraw/zinc/25/48/67/169254867.db2.gz OUZKTKLMFNPUDK-MRVPVSSYSA-N 0 3 166.199 1.641 20 0 ADADHN N[C@@H]1COc2c(F)cc(F)cc21 8699633 169256507 /nfs/dbraw/zinc/25/65/07/169256507.db2.gz GEGMSPAFIBENDA-SSDOTTSWSA-N 0 3 171.146 1.357 20 0 ADADHN N[C@@H]1COc2c1ccc(F)c2F 62611300 169257442 /nfs/dbraw/zinc/25/74/42/169257442.db2.gz ANFLWYDAQMRUMC-ZCFIWIBFSA-N 0 3 171.146 1.357 20 0 ADADHN N[C@@H]1COc2c(Cl)cc(F)cc21 37901963 169257495 /nfs/dbraw/zinc/25/74/95/169257495.db2.gz ZQJFFJROHCIJGX-SSDOTTSWSA-N 0 3 187.601 1.871 20 0 ADADHN N[C@@H]1COc2c(F)cc(Cl)cc21 75882310 169257559 /nfs/dbraw/zinc/25/75/59/169257559.db2.gz SDCXEWPHOVYHGL-SSDOTTSWSA-N 0 3 187.601 1.871 20 0 ADADHN N[C@@H]1COc2c(F)ccc(Cl)c21 75882322 169257608 /nfs/dbraw/zinc/25/76/08/169257608.db2.gz SZNCCISADORZFQ-ZCFIWIBFSA-N 0 3 187.601 1.871 20 0 ADADHN N[C@@H]1COc2c1cc(F)c(F)c2F 75882300 169257823 /nfs/dbraw/zinc/25/78/23/169257823.db2.gz ONOKAHLUYBZPFQ-RXMQYKEDSA-N 0 3 189.136 1.496 20 0 ADADHN N[C@@H]1C[C@H](C(F)(F)F)CCC1=O 98095889 169257981 /nfs/dbraw/zinc/25/79/81/169257981.db2.gz QKGKNYKKAGEAMO-RFZPGFLSSA-N 0 3 181.157 1.245 20 0 ADADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccccc1F 50456612 169258155 /nfs/dbraw/zinc/25/81/55/169258155.db2.gz OOPHGOODDUXUOO-POYBYMJQSA-N 0 3 194.209 1.111 20 0 ADADHN N[C@@H]1C[C@@H](C(F)(F)F)CCC1=O 98095891 169258158 /nfs/dbraw/zinc/25/81/58/169258158.db2.gz QKGKNYKKAGEAMO-CRCLSJGQSA-N 0 3 181.157 1.245 20 0 ADADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1 50456575 169258182 /nfs/dbraw/zinc/25/81/82/169258182.db2.gz NUODIQRJDJTUPM-DTWKUNHWSA-N 0 3 194.209 1.111 20 0 ADADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccsc1 334245423 169258344 /nfs/dbraw/zinc/25/83/44/169258344.db2.gz FSTALZPZXCXCJH-NKWVEPMBSA-N 0 3 182.248 1.034 20 0 ADADHN N[C@@H]1C[C@@H]1C(=O)NC1CCCCCC1 50458242 169258847 /nfs/dbraw/zinc/25/88/47/169258847.db2.gz IINXBUACIGBDKK-VHSXEESVSA-N 0 3 196.294 1.173 20 0 ADADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc(F)c1 50456521 169258878 /nfs/dbraw/zinc/25/88/78/169258878.db2.gz AKLQTMAAFYNYNE-DTWKUNHWSA-N 0 3 194.209 1.111 20 0 ADADHN N[C@@H]1C[C@@H]1C(=O)NCC1CCCCC1 50458454 169258928 /nfs/dbraw/zinc/25/89/28/169258928.db2.gz QRAJGCTZMMWIQN-VHSXEESVSA-N 0 3 196.294 1.030 20 0 ADADHN N[C@@H]1c2ccccc2C[C@H]1F 80026962 169260707 /nfs/dbraw/zinc/26/07/07/169260707.db2.gz MPZMJRRSNZFFKP-RKDXNWHRSA-N 0 3 151.184 1.581 20 0 ADADHN N[C@@H]1c2ccccc2C[C@@H]1F 80026958 169260808 /nfs/dbraw/zinc/26/08/08/169260808.db2.gz MPZMJRRSNZFFKP-DTWKUNHWSA-N 0 3 151.184 1.581 20 0 ADADHN N[C@H](C(=O)NC1CC1)C1CCCCC1 77296062 169262059 /nfs/dbraw/zinc/26/20/59/169262059.db2.gz MLIWRHQOBONJJD-JTQLQIEISA-N 0 3 196.294 1.173 20 0 ADADHN N[C@H](C(=O)N1CCCCC1)C1CCC1 306972260 169262372 /nfs/dbraw/zinc/26/23/72/169262372.db2.gz UEJYUXNAHFOYBK-JTQLQIEISA-N 0 3 196.294 1.126 20 0 ADADHN N[C@H](C(=O)NC1CCCC1)C1CCC1 306745595 169262863 /nfs/dbraw/zinc/26/28/63/169262863.db2.gz APZDWDBUQULDQK-JTQLQIEISA-N 0 3 196.294 1.173 20 0 ADADHN N[C@H](CF)c1ccc2c(c1)OCO2 20285923 169264600 /nfs/dbraw/zinc/26/46/00/169264600.db2.gz OPMHHCIMSYBWNI-SSDOTTSWSA-N 0 3 183.182 1.385 20 0 ADADHN N[C@H](CCO)c1ccc(Cl)cn1 83276795 169264617 /nfs/dbraw/zinc/26/46/17/169264617.db2.gz RYKKMPYHBHEINL-SSDOTTSWSA-N 0 3 186.642 1.117 20 0 ADADHN N[C@H](CF)c1ccc2c(c1)OCCO2 20285917 169265183 /nfs/dbraw/zinc/26/51/83/169265183.db2.gz BMYPPLZCPSWQBC-MRVPVSSYSA-N 0 3 197.209 1.427 20 0 ADADHN N[C@H](CCO)c1cccnc1Cl 95077215 169265813 /nfs/dbraw/zinc/26/58/13/169265813.db2.gz UBSVHMZWGPWGPE-SSDOTTSWSA-N 0 3 186.642 1.117 20 0 ADADHN N[C@H](CO)c1ccc2ncccc2c1 69050973 169266116 /nfs/dbraw/zinc/26/61/16/169266116.db2.gz KSUDWYDDYBJRHF-SNVBAGLBSA-N 0 3 188.230 1.227 20 0 ADADHN N[C@H](CO)c1ccc(O)cc1Cl 72197608 169266138 /nfs/dbraw/zinc/26/61/38/169266138.db2.gz YMYNFWFRFCTWEX-MRVPVSSYSA-N 0 3 187.626 1.038 20 0 ADADHN N[C@H](c1ccccc1)C1(CO)CCC1 238854637 169269201 /nfs/dbraw/zinc/26/92/01/169269201.db2.gz OQIOVDLNYHDZBT-LLVKDONJSA-N 0 3 191.274 1.849 20 0 in-vitro ADADHN N[C@H](c1ccccn1)C1CCC1 84329894 169269318 /nfs/dbraw/zinc/26/93/18/169269318.db2.gz FASZCMBNRAFLOT-JTQLQIEISA-N 0 3 162.236 1.882 20 0 ADADHN N[C@H](c1ccccn1)C1CCOCC1 68956965 169269732 /nfs/dbraw/zinc/26/97/32/169269732.db2.gz RAQZBBDKNHBWRW-NSHDSACASA-N 0 3 192.262 1.508 20 0 ADADHN N[C@H](c1ccco1)C1CCOCC1 61672208 169270288 /nfs/dbraw/zinc/27/02/88/169270288.db2.gz HISLEKGKPCLRJO-JTQLQIEISA-N 0 3 181.235 1.706 20 0 ADADHN N[C@H](c1ccc(F)cc1)C1(O)CCC1 90411135 169270337 /nfs/dbraw/zinc/27/03/37/169270337.db2.gz JAQRAAODBNKKSG-SNVBAGLBSA-N 0 3 195.237 1.741 20 0 ADADHN N[C@H]1CC2(CCCC2)CCC1=O 98095896 169270955 /nfs/dbraw/zinc/27/09/55/169270955.db2.gz WCTYBCPOAXEIAL-QMMMGPOBSA-N 0 3 167.252 1.627 20 0 ADADHN N[C@H]1CCC(=O)Nc2ccsc21 82395216 169271206 /nfs/dbraw/zinc/27/12/06/169271206.db2.gz ZJUPBXDPJMHBDD-YFKPBYRVSA-N 0 3 182.248 1.480 20 0 ADADHN N[C@H]1CC(=O)c2cc(F)c(F)cc21 95221064 169271415 /nfs/dbraw/zinc/27/14/15/169271415.db2.gz XNYIPDLHDWBKKF-QMMMGPOBSA-N 0 3 183.157 1.551 20 0 ADADHN N[C@H]1CCCc2c1sc1nccn21 95883865 169273308 /nfs/dbraw/zinc/27/33/08/169273308.db2.gz BCXLNHUGNKSPAH-LURJTMIESA-N 0 3 193.275 1.732 20 0 ADADHN N[C@H]1CCNc2ccc(F)cc21 68575596 169274477 /nfs/dbraw/zinc/27/44/77/169274477.db2.gz OUZKTKLMFNPUDK-QMMMGPOBSA-N 0 3 166.199 1.641 20 0 ADADHN N[C@H]1COc2c(F)cc(Cl)cc21 75882312 169276532 /nfs/dbraw/zinc/27/65/32/169276532.db2.gz SDCXEWPHOVYHGL-ZETCQYMHSA-N 0 3 187.601 1.871 20 0 ADADHN N[C@H]1COc2c(Cl)cc(F)cc21 37901964 169277191 /nfs/dbraw/zinc/27/71/91/169277191.db2.gz ZQJFFJROHCIJGX-ZETCQYMHSA-N 0 3 187.601 1.871 20 0 ADADHN N[C@H]1COc2c(F)ccc(Cl)c21 75882321 169277262 /nfs/dbraw/zinc/27/72/62/169277262.db2.gz SZNCCISADORZFQ-LURJTMIESA-N 0 3 187.601 1.871 20 0 ADADHN N[C@H]1COc2c1cc(F)c(F)c2F 75882299 169277356 /nfs/dbraw/zinc/27/73/56/169277356.db2.gz ONOKAHLUYBZPFQ-YFKPBYRVSA-N 0 3 189.136 1.496 20 0 ADADHN N[C@H]1COc2c1ccc(F)c2F 62611302 169277563 /nfs/dbraw/zinc/27/75/63/169277563.db2.gz ANFLWYDAQMRUMC-LURJTMIESA-N 0 3 171.146 1.357 20 0 ADADHN N[C@H]1C[C@@H](C(F)(F)F)CCC1=O 98095892 169278079 /nfs/dbraw/zinc/27/80/79/169278079.db2.gz QKGKNYKKAGEAMO-WHFBIAKZSA-N 0 3 181.157 1.245 20 0 ADADHN N[C@H]1C[C@H](C(F)(F)F)CCC1=O 98095890 169278216 /nfs/dbraw/zinc/27/82/16/169278216.db2.gz QKGKNYKKAGEAMO-UHNVWZDZSA-N 0 3 181.157 1.245 20 0 ADADHN N[C@H]1c2ccccc2C[C@@H]1F 80026964 169280651 /nfs/dbraw/zinc/28/06/51/169280651.db2.gz MPZMJRRSNZFFKP-IUCAKERBSA-N 0 3 151.184 1.581 20 0 ADADHN Nc1cc(CN2CCCC2)ccn1 52709751 169285472 /nfs/dbraw/zinc/28/54/72/169285472.db2.gz KIOIQKXGPRGJRT-UHFFFAOYSA-N 0 3 177.251 1.260 20 0 ADADHN Nc1cc(OCC(F)(F)F)ccn1 95830117 169288089 /nfs/dbraw/zinc/28/80/89/169288089.db2.gz XUPWSJQUWPOAOZ-UHFFFAOYSA-N 0 3 192.140 1.605 20 0 ADADHN Nc1ccc(-c2cnccc2N)cc1 91364401 169290444 /nfs/dbraw/zinc/29/04/44/169290444.db2.gz PWCTZLNLZFQZEO-UHFFFAOYSA-N 0 3 185.230 1.913 20 0 ADADHN Nc1ccc(CN2CCCCC2)nc1 86492523 169291744 /nfs/dbraw/zinc/29/17/44/169291744.db2.gz XRKUZJCXYPIYHT-UHFFFAOYSA-N 0 3 191.278 1.650 20 0 ADADHN Nc1ccncc1OC1CC1 95722827 169300623 /nfs/dbraw/zinc/30/06/23/169300623.db2.gz SGTNXFMXSCGHBW-UHFFFAOYSA-N 0 3 150.181 1.205 20 0 ADADHN Nc1ccncc1-c1cncnc1 69841130 169301229 /nfs/dbraw/zinc/30/12/29/169301229.db2.gz XPPVDNNUVZJFQC-UHFFFAOYSA-N 0 3 172.191 1.121 20 0 ADADHN Nc1ncc(CN2CCCC2)s1 58083052 169307543 /nfs/dbraw/zinc/30/75/43/169307543.db2.gz AXVXYANHVHKIQZ-UHFFFAOYSA-N 0 3 183.280 1.321 20 0 ADADHN Nc1ncccc1CN1CCCC1 52709741 169309151 /nfs/dbraw/zinc/30/91/51/169309151.db2.gz PPBNPLFKUOVAEE-UHFFFAOYSA-N 0 3 177.251 1.260 20 0 ADADHN O=C(CN1CCCC1)N1CCCCC1 41362240 169320353 /nfs/dbraw/zinc/32/03/53/169320353.db2.gz UMUFEYHCLQZAAY-UHFFFAOYSA-N 0 3 196.294 1.095 20 0 ADADHN O=C(CN1CCCCC1)N1CCCC1 41362317 169320743 /nfs/dbraw/zinc/32/07/43/169320743.db2.gz OQRHMKHLABTPED-UHFFFAOYSA-N 0 3 196.294 1.095 20 0 ADADHN O=C(CN1CCCCCC1)N1CCC1 336320579 169320874 /nfs/dbraw/zinc/32/08/74/169320874.db2.gz RBNXNBDDKRSRRZ-UHFFFAOYSA-N 0 3 196.294 1.095 20 0 ADADHN O=C(CN1CCCCCC1)NC1CC1 14194717 169321127 /nfs/dbraw/zinc/32/11/27/169321127.db2.gz XWAHFPNDRMODQB-UHFFFAOYSA-N 0 3 196.294 1.141 20 0 ADADHN O=C(NCC1CCC1)[C@@H]1CCCCN1 37180856 169327743 /nfs/dbraw/zinc/32/77/43/169327743.db2.gz DEMYTEDKVKPSJR-JTQLQIEISA-N 0 3 196.294 1.045 20 0 ADADHN O=C(NCC1CCC1)[C@H]1CCCCN1 37180858 169327885 /nfs/dbraw/zinc/32/78/85/169327885.db2.gz DEMYTEDKVKPSJR-SNVBAGLBSA-N 0 3 196.294 1.045 20 0 ADADHN O=C(Nc1cccc(F)c1)[C@H]1CCN1 306855199 169332411 /nfs/dbraw/zinc/33/24/11/169332411.db2.gz VLMFSPLSZWRAEE-SECBINFHSA-N 0 3 194.209 1.126 20 0 ADADHN O=C(Nc1ccsc1)[C@H]1CCN1 307240947 169333860 /nfs/dbraw/zinc/33/38/60/169333860.db2.gz QSMCXJVOXYESQF-SSDOTTSWSA-N 0 3 182.248 1.049 20 0 ADADHN O=C1CCC(N2CCCOCC2)CC1 117153088 169369592 /nfs/dbraw/zinc/36/95/92/169369592.db2.gz HSGIVNPSHXDZNX-UHFFFAOYSA-N 0 3 197.278 1.220 20 0 ADADHN O=C1CCCCCC1C(=O)C(F)F 100405291 169370529 /nfs/dbraw/zinc/37/05/29/169370529.db2.gz HLANNRJBMLWLCP-ZCFIWIBFSA-N 0 3 190.189 1.970 20 0 ADADHN O=C1CCCCCC1C(=O)C(F)F 100405287 169371155 /nfs/dbraw/zinc/37/11/55/169371155.db2.gz HLANNRJBMLWLCP-LURJTMIESA-N 0 3 190.189 1.970 20 0 ADADHN O=C1CCNCC12CCCC2 39111589 169374187 /nfs/dbraw/zinc/37/41/87/169374187.db2.gz MQKZZXYAFVUVGG-UHFFFAOYSA-N 0 3 153.225 1.109 20 0 ADADHN O=C1C[C@@H]2CCC[C@H](C1)N2CC1CC1 38343292 169381722 /nfs/dbraw/zinc/38/17/22/169381722.db2.gz HKMOULULJSIZFS-PHIMTYICSA-N 0 3 193.290 1.982 20 0 ADADHN OCCCCNCc1ccco1 40744130 169424758 /nfs/dbraw/zinc/42/47/58/169424758.db2.gz YXBBIJPGWCQGOD-UHFFFAOYSA-N 0 3 169.224 1.142 20 0 ADADHN OCCCNCc1ccsc1 20187836 169425800 /nfs/dbraw/zinc/42/58/00/169425800.db2.gz GNWIWGDFDYBWMU-UHFFFAOYSA-N 0 3 171.265 1.220 20 0 ADADHN OCCNCc1cccc2cc[nH]c12 83341572 169427878 /nfs/dbraw/zinc/42/78/78/169427878.db2.gz ZRDOIICSTDTKGC-UHFFFAOYSA-N 0 3 190.246 1.250 20 0 ADADHN OCc1ccc(CNC2CCCC2)o1 81546727 169438529 /nfs/dbraw/zinc/43/85/29/169438529.db2.gz IYLRXYVNPJUEOT-UHFFFAOYSA-N 0 3 195.262 1.804 20 0 ADADHN O[C@@H]1CCCC[C@H]1NCc1ccco1 37490553 169444314 /nfs/dbraw/zinc/44/43/14/169444314.db2.gz YGPPAWHZJFBRSC-GHMZBOCLSA-N 0 3 195.262 1.673 20 0 ADADHN O[C@H]1CCCC[C@@H]1NCc1ccco1 37490552 169450977 /nfs/dbraw/zinc/45/09/77/169450977.db2.gz YGPPAWHZJFBRSC-QWRGUYRKSA-N 0 3 195.262 1.673 20 0 ADADHN c1ccc2c(c1)C[C@@H]1NCCO[C@@H]21 37405059 169478972 /nfs/dbraw/zinc/47/89/72/169478972.db2.gz FSLMFLKQWNNSKH-QWRGUYRKSA-N 0 3 175.231 1.272 20 0 ADADHN c1cn2c(n1)[C@H](NCC1CCC1)CC2 306590332 169482923 /nfs/dbraw/zinc/48/29/23/169482923.db2.gz ADSYXJPGBOXDLO-SNVBAGLBSA-N 0 3 191.278 1.718 20 0 ADADHN c1coc(CN[C@H]2CCCOC2)c1 71011095 169485753 /nfs/dbraw/zinc/48/57/53/169485753.db2.gz PPKICJNTRMPHNE-VIFPVBQESA-N 0 3 181.235 1.548 20 0 ADADHN c1nc(CNC[C@@H]2CCOC2)cs1 40505233 169487878 /nfs/dbraw/zinc/48/78/78/169487878.db2.gz RUKZJDPMQYJHKW-QMMMGPOBSA-N 0 3 198.291 1.269 20 0 ADADHN c1nc([C@@H]2CCCN2)cs1 71484794 169488341 /nfs/dbraw/zinc/48/83/41/169488341.db2.gz FCGXVNAOFWTJEW-LURJTMIESA-N 0 3 154.238 1.568 20 0 ADADHN C[C@@H]1CN(C2CCCC2)CCO1 146201462 344039308 /nfs/dbraw/zinc/03/93/08/344039308.db2.gz GVXHOTAUOGZUBT-SECBINFHSA-N 0 3 169.268 1.650 20 0 ADADHN CC[C@H](C)C(=O)NC1CCN(C)CC1 146963132 344042598 /nfs/dbraw/zinc/04/25/98/344042598.db2.gz QDYYHZQYVCPYTL-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)CC(=O)NC(C)(C)C 1851566 171003568 /nfs/dbraw/zinc/00/35/68/171003568.db2.gz LVJORTLWCIKPPE-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CN1CCC(Nc2nccs2)CC1 8375739 171021371 /nfs/dbraw/zinc/02/13/71/171021371.db2.gz KYCPXKOREDBCBY-UHFFFAOYSA-N 0 3 197.307 1.649 20 0 ADADHN c1cncc(CNC2CCC2)c1 15042233 171029109 /nfs/dbraw/zinc/02/91/09/171029109.db2.gz UFFMGQWREGJEFM-UHFFFAOYSA-N 0 3 162.236 1.724 20 0 ADADHN NC(=O)c1cccc(CNC2CC2)c1 19431558 171034224 /nfs/dbraw/zinc/03/42/24/171034224.db2.gz UHOFEWXXDYXBPL-UHFFFAOYSA-N 0 3 190.246 1.038 20 0 in-vitro ADADHN CN1CCC(Nc2cccnc2)CC1 19884153 171036581 /nfs/dbraw/zinc/03/65/81/171036581.db2.gz YHVGHQUGAREKIK-UHFFFAOYSA-N 0 3 191.278 1.588 20 0 ADADHN Oc1cccc([C@@H]2CNCCO2)c1 20269159 171038583 /nfs/dbraw/zinc/03/85/83/171038583.db2.gz VYFSCTYDZYUMSC-JTQLQIEISA-N 0 3 179.219 1.053 20 0 in-vitro ADADHN Oc1cccc([C@H]2CNCCO2)c1 20269160 171038641 /nfs/dbraw/zinc/03/86/41/171038641.db2.gz VYFSCTYDZYUMSC-SNVBAGLBSA-N 0 3 179.219 1.053 20 0 in-vitro ADADHN CCCN[C@@H](C(N)=O)c1ccccc1 37855737 171039431 /nfs/dbraw/zinc/03/94/31/171039431.db2.gz VHGQGKPEDNVWHU-SNVBAGLBSA-N 0 3 192.262 1.213 20 0 ADADHN COc1ccccc1[C@@H](C)NCCO 20597093 171040544 /nfs/dbraw/zinc/04/05/44/171040544.db2.gz OSAVJELKDNDXBI-SECBINFHSA-N 0 3 195.262 1.338 20 0 ADADHN c1ccc([C@@H]2CCN2)nc1 23894338 171042896 /nfs/dbraw/zinc/04/28/96/171042896.db2.gz HJZDRJCJLHAPQR-QMMMGPOBSA-N 0 3 134.182 1.116 20 0 ADADHN c1c[nH]c(CNC2CCCC2)n1 22861507 171043354 /nfs/dbraw/zinc/04/33/54/171043354.db2.gz CXLMITFNVKAHEM-UHFFFAOYSA-N 0 3 165.240 1.442 20 0 ADADHN C[C@@H]1CC(C)(C)O[C@H](C)N1 32302122 171051011 /nfs/dbraw/zinc/05/10/11/171051011.db2.gz IQNOEDWQOFXIRN-RNFRBKRXSA-N 0 3 143.230 1.509 20 0 ADADHN CCCN(CCC)C(=O)CNCC 34467215 171055705 /nfs/dbraw/zinc/05/57/05/171055705.db2.gz XCMMOUMCVCIZQD-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN C[C@H]1CC(N)=NN1Cc1ccccc1 34767099 171057175 /nfs/dbraw/zinc/05/71/75/171057175.db2.gz ZBWPNHVAEQZZBA-VIFPVBQESA-N 0 3 189.262 1.553 20 0 in-vitro ADADHN C[C@@H]1CC(N)=NN1Cc1ccccc1 34767097 171057608 /nfs/dbraw/zinc/05/76/08/171057608.db2.gz ZBWPNHVAEQZZBA-SECBINFHSA-N 0 3 189.262 1.553 20 0 in-vitro ADADHN COc1ccccc1CN[C@H](C)CO 35603759 171058773 /nfs/dbraw/zinc/05/87/73/171058773.db2.gz VKDVUCIVYWSYBE-SECBINFHSA-N 0 3 195.262 1.166 20 0 ADADHN COc1ccccc1CN[C@@H](C)CO 35603756 171059000 /nfs/dbraw/zinc/05/90/00/171059000.db2.gz VKDVUCIVYWSYBE-VIFPVBQESA-N 0 3 195.262 1.166 20 0 ADADHN Cn1nccc1CNC(C)(C)C 36901021 171061982 /nfs/dbraw/zinc/06/19/82/171061982.db2.gz LWEFOQXNUMIWBH-UHFFFAOYSA-N 0 3 167.256 1.308 20 0 ADADHN CN1CCC(Nc2ccccn2)CC1 37248230 171063390 /nfs/dbraw/zinc/06/33/90/171063390.db2.gz YJMATINPVPTJAV-UHFFFAOYSA-N 0 3 191.278 1.588 20 0 ADADHN NC1(c2ncc[nH]2)CCCC1 37479660 171064663 /nfs/dbraw/zinc/06/46/63/171064663.db2.gz YXGADAWJFSBOAJ-UHFFFAOYSA-N 0 3 151.213 1.138 20 0 ADADHN c1ccc(CN2CCNC2)cc1 38363034 171069332 /nfs/dbraw/zinc/06/93/32/171069332.db2.gz JXOLTCZDUFJFRL-UHFFFAOYSA-N 0 3 162.236 1.049 20 0 ADADHN CC(C)c1cccc(C(=N)N)n1 39103855 171074991 /nfs/dbraw/zinc/07/49/91/171074991.db2.gz FUSOHTYYGLQNPH-UHFFFAOYSA-N 0 3 163.224 1.489 20 0 ADADHN CCN(CC)CC(=O)N(CC)CC 39616935 171079623 /nfs/dbraw/zinc/07/96/23/171079623.db2.gz AXBJZXGXJGLKNZ-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN c1csc(CNC2CCOCC2)n1 41012550 171081926 /nfs/dbraw/zinc/08/19/26/171081926.db2.gz OFFMAMUVKRWICD-UHFFFAOYSA-N 0 3 198.291 1.412 20 0 ADADHN CCN(CC)CC(=O)N1CCCCC1 41392038 171084451 /nfs/dbraw/zinc/08/44/51/171084451.db2.gz WZZANKQOQAKWOZ-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN Cc1ccccc1[C@@H](C)NCC(N)=O 84499600 171093149 /nfs/dbraw/zinc/09/31/49/171093149.db2.gz HBRGRQXNQXUSNM-SECBINFHSA-N 0 3 192.262 1.131 20 0 ADADHN CC(C)CC(=O)N1CCNCC1(C)C 62568182 171102953 /nfs/dbraw/zinc/10/29/53/171102953.db2.gz WNQSHFZUHJPDCK-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN NC1(c2ncccc2F)CC1 91691822 171106086 /nfs/dbraw/zinc/10/60/86/171106086.db2.gz QHIQAQLAGVLZBM-UHFFFAOYSA-N 0 3 152.172 1.169 20 0 ADADHN CC(C)c1ccnc(C(=N)N)c1 71186682 171106484 /nfs/dbraw/zinc/10/64/84/171106484.db2.gz ARQJACFYFZPGDU-UHFFFAOYSA-N 0 3 163.224 1.489 20 0 ADADHN c1cc(CC[C@H]2COCCN2)ccn1 71506171 171107702 /nfs/dbraw/zinc/10/77/02/171107702.db2.gz NNLOWRJYSPCMPK-NSHDSACASA-N 0 3 192.262 1.003 20 0 ADADHN c1cc(CC[C@@H]2COCCN2)ccn1 71506170 171107749 /nfs/dbraw/zinc/10/77/49/171107749.db2.gz NNLOWRJYSPCMPK-LLVKDONJSA-N 0 3 192.262 1.003 20 0 ADADHN Cc1ccccc1C[C@@H]1CNCCO1 71505849 171107886 /nfs/dbraw/zinc/10/78/86/171107886.db2.gz KXBFJYFEFJTEBH-GFCCVEGCSA-N 0 3 191.274 1.526 20 0 ADADHN Cc1ccccc1C[C@H]1CNCCO1 71505850 171108008 /nfs/dbraw/zinc/10/80/08/171108008.db2.gz KXBFJYFEFJTEBH-LBPRGKRZSA-N 0 3 191.274 1.526 20 0 ADADHN c1csc(CNC2CSC2)c1 76631091 171118568 /nfs/dbraw/zinc/11/85/68/171118568.db2.gz YZKPDWYDGGZNMM-UHFFFAOYSA-N 0 3 185.317 1.953 20 0 ADADHN c1cncc(CNC2CSC2)c1 76604501 171118911 /nfs/dbraw/zinc/11/89/11/171118911.db2.gz FBNPMQAMVNABQY-UHFFFAOYSA-N 0 3 180.276 1.287 20 0 ADADHN Oc1ccc(CN[C@@H]2CCOC2)cc1 76635723 171119634 /nfs/dbraw/zinc/11/96/34/171119634.db2.gz IBVKBFKTUWBHAW-SNVBAGLBSA-N 0 3 193.246 1.271 20 0 ADADHN Oc1ccc(CN[C@H]2CCOC2)cc1 76635726 171119714 /nfs/dbraw/zinc/11/97/14/171119714.db2.gz IBVKBFKTUWBHAW-JTQLQIEISA-N 0 3 193.246 1.271 20 0 ADADHN Oc1cccc(CNC2CSC2)c1 76636641 171119763 /nfs/dbraw/zinc/11/97/63/171119763.db2.gz IOTJHDKFNDSTHW-UHFFFAOYSA-N 0 3 195.287 1.597 20 0 ADADHN NCc1ccc2c(c1)NC(=O)CS2 82588816 171123485 /nfs/dbraw/zinc/12/34/85/171123485.db2.gz PHQSWYRUAQMTLM-UHFFFAOYSA-N 0 3 194.259 1.190 20 0 ADADHN NC1(c2ncc[nH]2)CCCCC1 82851770 171125699 /nfs/dbraw/zinc/12/56/99/171125699.db2.gz CDZQQAOVTJVBJS-UHFFFAOYSA-N 0 3 165.240 1.528 20 0 ADADHN NCc1ccc2c(c1)NC(=O)CC2 82868915 171126263 /nfs/dbraw/zinc/12/62/63/171126263.db2.gz LBTMJZDZXQJFNP-UHFFFAOYSA-N 0 3 176.219 1.030 20 0 ADADHN c1ccc([C@@H]2CCOCCN2)cc1 82869743 171126419 /nfs/dbraw/zinc/12/64/19/171126419.db2.gz KNDDKASDDMIEGY-NSHDSACASA-N 0 3 177.247 1.738 20 0 ADADHN NC1(c2ccccn2)CCOCC1 84334039 171131765 /nfs/dbraw/zinc/13/17/65/171131765.db2.gz XNDKSPXHHHFNEA-UHFFFAOYSA-N 0 3 178.235 1.046 20 0 ADADHN [O-]c1ccc(C[NH2+]C2CC2)nc1 86789828 171132105 /nfs/dbraw/zinc/13/21/05/171132105.db2.gz HFGNRYOLOWCXAU-UHFFFAOYSA-N 0 3 164.208 1.039 20 0 in-vitro ADADHN Oc1ccc(CNC2CC2)nc1 86789828 171132107 /nfs/dbraw/zinc/13/21/07/171132107.db2.gz HFGNRYOLOWCXAU-UHFFFAOYSA-N 0 3 164.208 1.039 20 0 in-vitro ADADHN CCO/C=C/CN(C)C 89157611 171132929 /nfs/dbraw/zinc/13/29/29/171132929.db2.gz DKEUVYLDGMMDOH-FNORWQNLSA-N 0 3 129.203 1.098 20 0 ADADHN NCc1ccc2c(c1)C(=O)CC2 87493240 171133254 /nfs/dbraw/zinc/13/32/54/171133254.db2.gz FMHPHYXBASCDPQ-UHFFFAOYSA-N 0 3 161.204 1.274 20 0 ADADHN NC[C@H]1OCCc2cscc21 90397765 171133582 /nfs/dbraw/zinc/13/35/82/171133582.db2.gz PILKAXDAYOOPHC-MRVPVSSYSA-N 0 3 169.249 1.321 20 0 ADADHN NC[C@@H]1OCCc2cscc21 90397761 171134025 /nfs/dbraw/zinc/13/40/25/171134025.db2.gz PILKAXDAYOOPHC-QMMMGPOBSA-N 0 3 169.249 1.321 20 0 ADADHN NC1(c2cccc(Cl)c2)CNC1 91691775 171134609 /nfs/dbraw/zinc/13/46/09/171134609.db2.gz ANIAFZUPNQFLRR-UHFFFAOYSA-N 0 3 182.654 1.097 20 0 ADADHN CN1CCC(c2c[nH]cn2)CC1 95627273 171136607 /nfs/dbraw/zinc/13/66/07/171136607.db2.gz UOMVDGQVXYJATJ-UHFFFAOYSA-N 0 3 165.240 1.219 20 0 ADADHN c1cnc2c(c1)CNCCS2 95883945 171140051 /nfs/dbraw/zinc/14/00/51/171140051.db2.gz BAIRYWPDDHELEO-UHFFFAOYSA-N 0 3 166.249 1.277 20 0 ADADHN NCc1ccc2c(c1)C(=O)CCC2 98095971 171142841 /nfs/dbraw/zinc/14/28/41/171142841.db2.gz MBSJRHWYKIZDAQ-UHFFFAOYSA-N 0 3 175.231 1.664 20 0 ADADHN Cc1ccccc1CN(C)C[C@@H](C)O 42307388 171147497 /nfs/dbraw/zinc/14/74/97/171147497.db2.gz VKWFGRVFHJXMIT-LLVKDONJSA-N 0 3 193.290 1.808 20 0 ADADHN Cc1ccccc1CN(C)C[C@H](C)O 42307391 171147564 /nfs/dbraw/zinc/14/75/64/171147564.db2.gz VKWFGRVFHJXMIT-NSHDSACASA-N 0 3 193.290 1.808 20 0 ADADHN CC(C)N(C)C(=O)C1(N)CCCC1 37479385 171151011 /nfs/dbraw/zinc/15/10/11/171151011.db2.gz HRXAHMRCYPANSC-UHFFFAOYSA-N 0 3 184.283 1.125 20 0 ADADHN CN(C)c1ncc(CNC2CC2)s1 48400262 171153789 /nfs/dbraw/zinc/15/37/89/171153789.db2.gz DKTUXXPIGGUZFX-UHFFFAOYSA-N 0 3 197.307 1.461 20 0 ADADHN c1c[nH]c(CNCC2CCC2)n1 49714823 171154094 /nfs/dbraw/zinc/15/40/94/171154094.db2.gz ORUCVGOROUOASP-UHFFFAOYSA-N 0 3 165.240 1.299 20 0 ADADHN c1c[nH]c(CNC(C2CC2)C2CC2)n1 49714683 171154126 /nfs/dbraw/zinc/15/41/26/171154126.db2.gz RIFPUNZATUSZQT-UHFFFAOYSA-N 0 3 191.278 1.688 20 0 ADADHN c1c[nH]c(CNCC2CCCC2)n1 49714831 171154208 /nfs/dbraw/zinc/15/42/08/171154208.db2.gz FUHMXXDFNCYILC-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN COC(=O)[C@H]1CCCN1CC(C)C 50048178 171154879 /nfs/dbraw/zinc/15/48/79/171154879.db2.gz RTEMZECVWPBCQT-SECBINFHSA-N 0 3 185.267 1.280 20 0 ADADHN COC(=O)[C@@H]1CCCN1CC(C)C 50048180 171154929 /nfs/dbraw/zinc/15/49/29/171154929.db2.gz RTEMZECVWPBCQT-VIFPVBQESA-N 0 3 185.267 1.280 20 0 ADADHN COC(=O)[C@@H]1CCCN1CCC(C)C 50048198 171155248 /nfs/dbraw/zinc/15/52/48/171155248.db2.gz QNWZSFQMAVETQH-JTQLQIEISA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)[C@H]1CCCN1CCC(C)C 50048196 171155288 /nfs/dbraw/zinc/15/52/88/171155288.db2.gz QNWZSFQMAVETQH-SNVBAGLBSA-N 0 3 199.294 1.670 20 0 ADADHN FC(F)(Cl)C1=CC=NCCN1 238547714 171156438 /nfs/dbraw/zinc/15/64/38/171156438.db2.gz CGJCAJPSCREFPH-UHFFFAOYSA-N 0 3 180.585 1.376 20 0 ADADHN F[C@@H]1CC[C@H](NCc2cc[nH]n2)C1 306233633 171156450 /nfs/dbraw/zinc/15/64/50/171156450.db2.gz CRJPEQWTTAXORV-SFYZADRCSA-N 0 3 183.230 1.390 20 0 ADADHN CC1(C)OCC[C@@H]1NCc1ccoc1 306220307 171156683 /nfs/dbraw/zinc/15/66/83/171156683.db2.gz HOOKRZOUFWJKTL-JTQLQIEISA-N 0 3 195.262 1.937 20 0 ADADHN F[C@@H]1CC[C@@H](NCc2cc[nH]n2)C1 306233630 171156977 /nfs/dbraw/zinc/15/69/77/171156977.db2.gz CRJPEQWTTAXORV-HTQZYQBOSA-N 0 3 183.230 1.390 20 0 ADADHN CC(C)(O)CCN1CC[C@](C)(F)C1 306489071 171158188 /nfs/dbraw/zinc/15/81/88/171158188.db2.gz SSDSNXMQNHZBHK-JTQLQIEISA-N 0 3 189.274 1.581 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1c[nH]cn1 306429128 171158344 /nfs/dbraw/zinc/15/83/44/171158344.db2.gz ODCSJUDOBBCVHH-DTORHVGOSA-N 0 3 179.267 1.783 20 0 ADADHN CC(C)(O)CCN1CC[C@@](C)(F)C1 306489073 171158364 /nfs/dbraw/zinc/15/83/64/171158364.db2.gz SSDSNXMQNHZBHK-SNVBAGLBSA-N 0 3 189.274 1.581 20 0 ADADHN NCC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 306649942 171158585 /nfs/dbraw/zinc/15/85/85/171158585.db2.gz FIINKYOXLADRJK-VHSXEESVSA-N 0 3 196.294 1.030 20 0 ADADHN CC(=O)Nc1cc(C)cc(CN)c1 306755911 171158635 /nfs/dbraw/zinc/15/86/35/171158635.db2.gz PFYMWVBYAYYAKN-UHFFFAOYSA-N 0 3 178.235 1.412 20 0 ADADHN F[C@H]1CCC[C@H]1NCC1=CCCOC1 306791304 171158854 /nfs/dbraw/zinc/15/88/54/171158854.db2.gz XCRCPYCYDWXTPD-WDEREUQCSA-N 0 3 199.269 1.813 20 0 ADADHN Cc1ccccc1NC(=O)[C@H]1CCN1 306544135 171158976 /nfs/dbraw/zinc/15/89/76/171158976.db2.gz UKXBFVSNRNIDJR-SNVBAGLBSA-N 0 3 190.246 1.295 20 0 ADADHN CC[C@@H](C)C(=O)N1CCNC(C)(C)C1 148085834 171163559 /nfs/dbraw/zinc/16/35/59/171163559.db2.gz VGZDCFUSROJRSD-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCOC(=O)C[C@@H](N)c1ccoc1 2511929 171163860 /nfs/dbraw/zinc/16/38/60/171163860.db2.gz GPICNQGICXGSGZ-MRVPVSSYSA-N 0 3 183.207 1.233 20 0 ADADHN NC1(C(=O)N2CCCCC2)CCCC1 37479409 171165465 /nfs/dbraw/zinc/16/54/65/171165465.db2.gz ZVQOJDGAWAUUBJ-UHFFFAOYSA-N 0 3 196.294 1.270 20 0 ADADHN CC(C)N(C(=O)[C@H](C)N)C1CCCC1 335607803 171165855 /nfs/dbraw/zinc/16/58/55/171165855.db2.gz HDVVQGISTPDQHQ-VIFPVBQESA-N 0 3 198.310 1.513 20 0 ADADHN CC(C)N(C)C(=O)CN1CCCCC1 308477211 171166649 /nfs/dbraw/zinc/16/66/49/171166649.db2.gz FFFWWCMHXVGIQD-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)N(C(=O)[C@@H](C)N)C1CCCC1 309104298 171166655 /nfs/dbraw/zinc/16/66/55/171166655.db2.gz HDVVQGISTPDQHQ-SECBINFHSA-N 0 3 198.310 1.513 20 0 ADADHN NC1(c2ccccn2)CCC1 66054562 171168131 /nfs/dbraw/zinc/16/81/31/171168131.db2.gz VEGZXOSAJZVXKI-UHFFFAOYSA-N 0 3 148.209 1.420 20 0 in-vitro ADADHN OC1(CCN2CC[C@@H](F)C2)CCC1 336282507 171170216 /nfs/dbraw/zinc/17/02/16/171170216.db2.gz MJDXBXDQCXWZQT-SECBINFHSA-N 0 3 187.258 1.335 20 0 ADADHN CC(C)c1cccc(CN)n1 82408359 171172330 /nfs/dbraw/zinc/17/23/30/171172330.db2.gz DPSKGOYOAGQEQF-UHFFFAOYSA-N 0 3 150.225 1.664 20 0 ADADHN OC1(CCN2CCCOCC2)CCC1 306990992 171177855 /nfs/dbraw/zinc/17/78/55/171177855.db2.gz UPSOOOHAXXBIRX-UHFFFAOYSA-N 0 3 199.294 1.014 20 0 ADADHN F[C@H]1CCC[C@H]1NCc1cc[nH]c1 306947064 171177884 /nfs/dbraw/zinc/17/78/84/171177884.db2.gz OGFQOLHKCDWLIX-VHSXEESVSA-N 0 3 182.242 1.995 20 0 ADADHN Cn1nccc1CN[C@@H]1CCC1(C)C 307060820 171177899 /nfs/dbraw/zinc/17/78/99/171177899.db2.gz DXOSIFPYUVRBOI-SNVBAGLBSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1nccc1CN[C@H]1CCC1(C)C 307060819 171177907 /nfs/dbraw/zinc/17/79/07/171177907.db2.gz DXOSIFPYUVRBOI-JTQLQIEISA-N 0 3 193.294 1.698 20 0 ADADHN c1csc(CN2CCCOCC2)c1 307142610 171178154 /nfs/dbraw/zinc/17/81/54/171178154.db2.gz KIYIRGPMXNQDKM-UHFFFAOYSA-N 0 3 197.303 1.970 20 0 ADADHN CC[C@@H]1CCN(Cc2ccno2)C1 307410389 171178560 /nfs/dbraw/zinc/17/85/60/171178560.db2.gz GLMLJHAVMMFVNC-SECBINFHSA-N 0 3 180.251 1.907 20 0 ADADHN NCC(=O)N[C@H]1C[C@H]1C1CCCCC1 307325543 171178621 /nfs/dbraw/zinc/17/86/21/171178621.db2.gz SVBLIHWTQUMIPQ-UWVGGRQHSA-N 0 3 196.294 1.030 20 0 ADADHN F[C@@H]1CC[C@@H](NCc2ncc[nH]2)C1 307386941 171178667 /nfs/dbraw/zinc/17/86/67/171178667.db2.gz BZRMEVYPMFVXMD-HTQZYQBOSA-N 0 3 183.230 1.390 20 0 ADADHN NCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 307325547 171178741 /nfs/dbraw/zinc/17/87/41/171178741.db2.gz SVBLIHWTQUMIPQ-VHSXEESVSA-N 0 3 196.294 1.030 20 0 ADADHN NCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 307325539 171178851 /nfs/dbraw/zinc/17/88/51/171178851.db2.gz SVBLIHWTQUMIPQ-NXEZZACHSA-N 0 3 196.294 1.030 20 0 ADADHN CC[C@@H]1CCN(Cc2c[nH]cn2)C1 307305353 171178975 /nfs/dbraw/zinc/17/89/75/171178975.db2.gz XFCRTCVODMMQSC-SECBINFHSA-N 0 3 179.267 1.642 20 0 ADADHN CC[C@@H]1CCN(Cc2cnc[nH]2)C1 307305353 171178978 /nfs/dbraw/zinc/17/89/78/171178978.db2.gz XFCRTCVODMMQSC-SECBINFHSA-N 0 3 179.267 1.642 20 0 ADADHN Cn1nccc1CN1CCCC1 307413592 171179082 /nfs/dbraw/zinc/17/90/82/171179082.db2.gz IOWTYQUVYVFUSX-UHFFFAOYSA-N 0 3 165.240 1.016 20 0 ADADHN F[C@@H]1CC[C@H](NCc2ncc[nH]2)C1 307386943 171179128 /nfs/dbraw/zinc/17/91/28/171179128.db2.gz BZRMEVYPMFVXMD-SFYZADRCSA-N 0 3 183.230 1.390 20 0 ADADHN NCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 307325552 171179149 /nfs/dbraw/zinc/17/91/49/171179149.db2.gz SVBLIHWTQUMIPQ-ZJUUUORDSA-N 0 3 196.294 1.030 20 0 ADADHN CO[C@@H](C)CN1CC[C@@](C)(F)C1 307514744 171179305 /nfs/dbraw/zinc/17/93/05/171179305.db2.gz RUSCGQLPMQOTSR-DTWKUNHWSA-N 0 3 175.247 1.455 20 0 ADADHN Cn1nccc1CN[C@H]1CC[C@@H](F)C1 307605667 171179323 /nfs/dbraw/zinc/17/93/23/171179323.db2.gz YZFCVNCJYJVDBH-BDAKNGLRSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1nccc1CN[C@H]1CC[C@H](F)C1 307605669 171179339 /nfs/dbraw/zinc/17/93/39/171179339.db2.gz YZFCVNCJYJVDBH-IUCAKERBSA-N 0 3 197.257 1.400 20 0 ADADHN Cn1nccc1CN[C@@H]1CC[C@@H](F)C1 307605670 171179552 /nfs/dbraw/zinc/17/95/52/171179552.db2.gz YZFCVNCJYJVDBH-RKDXNWHRSA-N 0 3 197.257 1.400 20 0 ADADHN CO[C@@H](C)CN1CC[C@](C)(F)C1 307514745 171179577 /nfs/dbraw/zinc/17/95/77/171179577.db2.gz RUSCGQLPMQOTSR-IUCAKERBSA-N 0 3 175.247 1.455 20 0 ADADHN Oc1cccc2c1C[C@H](NCCF)C2 307711546 171179875 /nfs/dbraw/zinc/17/98/75/171179875.db2.gz ULTRBJIHYGTSBN-SECBINFHSA-N 0 3 195.237 1.419 20 0 ADADHN Cn1nccc1CN[C@@H]1CC[C@H](F)C1 307605668 171179900 /nfs/dbraw/zinc/17/99/00/171179900.db2.gz YZFCVNCJYJVDBH-DTWKUNHWSA-N 0 3 197.257 1.400 20 0 ADADHN Oc1cccc2c1C[C@@H](NCCF)C2 307711547 171179913 /nfs/dbraw/zinc/17/99/13/171179913.db2.gz ULTRBJIHYGTSBN-VIFPVBQESA-N 0 3 195.237 1.419 20 0 ADADHN CC(C)CC(=O)N1CCNC(C)(C)C1 62568146 171180412 /nfs/dbraw/zinc/18/04/12/171180412.db2.gz UGYDAVQUEZKDFS-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN NC1(C(=O)N2CCCC2)CCCCC1 19422650 171182924 /nfs/dbraw/zinc/18/29/24/171182924.db2.gz PKHBRQZVNSQJJK-UHFFFAOYSA-N 0 3 196.294 1.270 20 0 ADADHN CC[C@@H]1CCN(Cc2cnn(C)c2)C1 335294704 171183730 /nfs/dbraw/zinc/18/37/30/171183730.db2.gz GRDIXYGCSMGJKQ-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN c1cc(CN2C[C@H]3CCC[C@@H]3C2)n[nH]1 335729318 171185758 /nfs/dbraw/zinc/18/57/58/171185758.db2.gz LYWZNZULONHXKE-NXEZZACHSA-N 0 3 191.278 1.642 20 0 ADADHN F[C@H]1CCN(C2CCCC2)C1 336262675 171186670 /nfs/dbraw/zinc/18/66/70/171186670.db2.gz IJHAMPNWJDYDKE-QMMMGPOBSA-N 0 3 157.232 1.973 20 0 ADADHN F[C@@H]1CCN(C2CCCC2)C1 336262668 171186824 /nfs/dbraw/zinc/18/68/24/171186824.db2.gz IJHAMPNWJDYDKE-MRVPVSSYSA-N 0 3 157.232 1.973 20 0 ADADHN c1[nH]nc2c1CN(CC1CC1)CC2 253572583 171187138 /nfs/dbraw/zinc/18/71/38/171187138.db2.gz QIXYYTLMVLOJAD-UHFFFAOYSA-N 0 3 177.251 1.178 20 0 ADADHN c1[nH]nc2c1CN(C1CCCC1)CC2 253575603 171187232 /nfs/dbraw/zinc/18/72/32/171187232.db2.gz UUIZUJCWPSYLGJ-UHFFFAOYSA-N 0 3 191.278 1.710 20 0 ADADHN CC[C@@H]1CCN(Cc2ccn(C)n2)C1 334185768 171189975 /nfs/dbraw/zinc/18/99/75/171189975.db2.gz FMKVIPPFXNVSSS-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN CC1(C)COCCN1C[C@H]1CCOC1 334208626 171190118 /nfs/dbraw/zinc/19/01/18/171190118.db2.gz XKTYPUGICNINCU-SNVBAGLBSA-N 0 3 199.294 1.134 20 0 ADADHN CC1(C)COCCN1C[C@@H]1CCOC1 334208620 171190190 /nfs/dbraw/zinc/19/01/90/171190190.db2.gz XKTYPUGICNINCU-JTQLQIEISA-N 0 3 199.294 1.134 20 0 ADADHN c1c[nH]c([C@@H]2CCCN2CC2CC2)n1 334231578 171190381 /nfs/dbraw/zinc/19/03/81/171190381.db2.gz LNZDSGIILNGVOF-JTQLQIEISA-N 0 3 191.278 1.957 20 0 ADADHN CC(C)N(C(=O)[C@@H]1C[C@@H]1N)C1CCC1 334218833 171190617 /nfs/dbraw/zinc/19/06/17/171190617.db2.gz YPUYVEFNKQBKGJ-ZJUUUORDSA-N 0 3 196.294 1.123 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1ccn(C)n1 334186781 171190659 /nfs/dbraw/zinc/19/06/59/171190659.db2.gz HBGGQLOEWGJPQZ-AOOOYVTPSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1cncn1C 334304125 171190781 /nfs/dbraw/zinc/19/07/81/171190781.db2.gz BXOCEULBXLDJLT-AOOOYVTPSA-N 0 3 193.294 1.793 20 0 ADADHN Cn1nccc1CN1CCCCCC1 334310702 171190865 /nfs/dbraw/zinc/19/08/65/171190865.db2.gz GKAVEABBHVFRTE-UHFFFAOYSA-N 0 3 193.294 1.796 20 0 ADADHN CC(C)N(C)C(=O)C1CCN(C)CC1 334316869 171190990 /nfs/dbraw/zinc/19/09/90/171190990.db2.gz PJOGBJMHBMTVKE-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CO[C@@H](C)CN1CCOC2(CCC2)C1 334320603 171191037 /nfs/dbraw/zinc/19/10/37/171191037.db2.gz VWKHPULMZJEBKR-JTQLQIEISA-N 0 3 199.294 1.276 20 0 ADADHN CC1(C)COCCN1CC1CCC1 306345112 171191090 /nfs/dbraw/zinc/19/10/90/171191090.db2.gz PCSTVSOQEKZGSF-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN c1cc(CN2CC[C@@H](C3CC3)C2)n[nH]1 334322834 171191133 /nfs/dbraw/zinc/19/11/33/171191133.db2.gz YSIXERKARDTMOP-SNVBAGLBSA-N 0 3 191.278 1.642 20 0 ADADHN c1cc(CN2CC[C@H](C3CC3)C2)n[nH]1 334322833 171191167 /nfs/dbraw/zinc/19/11/67/171191167.db2.gz YSIXERKARDTMOP-JTQLQIEISA-N 0 3 191.278 1.642 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1ccnn1C 334352469 171191203 /nfs/dbraw/zinc/19/12/03/171191203.db2.gz HGKSIDWGGOXMQK-AOOOYVTPSA-N 0 3 193.294 1.793 20 0 ADADHN Cn1nccc1CN1CCCCC1 306928825 171192046 /nfs/dbraw/zinc/19/20/46/171192046.db2.gz ZNYBGKDWNJCSPZ-UHFFFAOYSA-N 0 3 179.267 1.406 20 0 ADADHN c1cc(CN2CCCC2)on1 306555906 171192075 /nfs/dbraw/zinc/19/20/75/171192075.db2.gz LDMMLORAXRNFNZ-UHFFFAOYSA-N 0 3 152.197 1.270 20 0 ADADHN CC(C)C(=O)N(C)C1CCN(C)CC1 70225307 171195352 /nfs/dbraw/zinc/19/53/52/171195352.db2.gz BVLUVFKCRIGWDZ-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)C(=O)N(C)[C@@H]1CCCN(C)C1 81561298 171196839 /nfs/dbraw/zinc/19/68/39/171196839.db2.gz JJZJTCVDENHMOX-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)C(=O)N(C)[C@H]1CCCN(C)C1 81561301 171197187 /nfs/dbraw/zinc/19/71/87/171197187.db2.gz JJZJTCVDENHMOX-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN O[C@@H](CN1CCCC1)c1ccccn1 62356158 171197779 /nfs/dbraw/zinc/19/77/79/171197779.db2.gz FWXKDGVRGJJYJX-NSHDSACASA-N 0 3 192.262 1.211 20 0 ADADHN CC[C@@H]1CCN(Cc2cn[nH]n2)C1 334679684 171199719 /nfs/dbraw/zinc/19/97/19/171199719.db2.gz XKXSNBJZLYSOKC-MRVPVSSYSA-N 0 3 180.255 1.037 20 0 ADADHN CC[C@@H]1CCN(Cc2c[nH]nn2)C1 334679684 171199722 /nfs/dbraw/zinc/19/97/22/171199722.db2.gz XKXSNBJZLYSOKC-MRVPVSSYSA-N 0 3 180.255 1.037 20 0 ADADHN Oc1cccc(CN[C@H]2C[C@@H](O)C2)c1 334622502 171199870 /nfs/dbraw/zinc/19/98/70/171199870.db2.gz XNWWBPHXRVGHBQ-JGZJWPJOSA-N 0 3 193.246 1.005 20 0 ADADHN Cc1ccccc1CN[C@H]1C[C@@H](O)C1 334622446 171200157 /nfs/dbraw/zinc/20/01/57/171200157.db2.gz WNKKKSGMYKOCHS-TXEJJXNPSA-N 0 3 191.274 1.608 20 0 ADADHN CC[C@@H]1CCN(Cc2cnccn2)C1 334564713 171200324 /nfs/dbraw/zinc/20/03/24/171200324.db2.gz NJVKOHRYXGMVKH-SNVBAGLBSA-N 0 3 191.278 1.709 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1cnccn1 334565771 171200352 /nfs/dbraw/zinc/20/03/52/171200352.db2.gz RXDIYENZKLOONG-AOOOYVTPSA-N 0 3 191.278 1.849 20 0 ADADHN F[C@@H]1CCN(CC2CCC2)C1 334702522 171200735 /nfs/dbraw/zinc/20/07/35/171200735.db2.gz SAOAROKOJIBNEC-SECBINFHSA-N 0 3 157.232 1.830 20 0 ADADHN F[C@H]1CCN(CC2CCC2)C1 334702526 171200809 /nfs/dbraw/zinc/20/08/09/171200809.db2.gz SAOAROKOJIBNEC-VIFPVBQESA-N 0 3 157.232 1.830 20 0 ADADHN Cc1ccnc(N2CC(N(C)C)C2)c1 334760888 171201079 /nfs/dbraw/zinc/20/10/79/171201079.db2.gz SYZKLIJDDSQWRZ-UHFFFAOYSA-N 0 3 191.278 1.140 20 0 ADADHN F[C@@H]1CCN(CCC2CC2)C1 334702309 171201102 /nfs/dbraw/zinc/20/11/02/171201102.db2.gz QHJRIXSGQHUPTR-SECBINFHSA-N 0 3 157.232 1.830 20 0 ADADHN CC(C)(O)CCN1CC[C@H](F)C1 334808455 171201297 /nfs/dbraw/zinc/20/12/97/171201297.db2.gz FMGKYVDNFAHVGX-QMMMGPOBSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H]1CCN(Cc2cncn2C)C1 335295117 171201846 /nfs/dbraw/zinc/20/18/46/171201846.db2.gz PEYVOGLZHODLGB-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN F[C@@H]1CCC[C@@H](NCc2cc[nH]n2)C1 335373039 171202303 /nfs/dbraw/zinc/20/23/03/171202303.db2.gz QJQWDOCMGVXBJJ-RKDXNWHRSA-N 0 3 197.257 1.780 20 0 ADADHN F[C@@H]1CCC[C@@H](NCc2ncc[nH]2)C1 335373657 171202313 /nfs/dbraw/zinc/20/23/13/171202313.db2.gz UHJJUHUENHDCHE-RKDXNWHRSA-N 0 3 197.257 1.780 20 0 ADADHN F[C@H]1CCC[C@H](NCc2ncc[nH]2)C1 335373656 171202497 /nfs/dbraw/zinc/20/24/97/171202497.db2.gz UHJJUHUENHDCHE-IUCAKERBSA-N 0 3 197.257 1.780 20 0 ADADHN CC[C@@H]1CCN(Cc2cnnn2C)C1 335308772 171202555 /nfs/dbraw/zinc/20/25/55/171202555.db2.gz DQXUWLZSQMTTOV-SECBINFHSA-N 0 3 194.282 1.047 20 0 ADADHN F[C@@H]1CCN(C[C@@H]2CCSC2)C1 335406123 171202580 /nfs/dbraw/zinc/20/25/80/171202580.db2.gz IGHAIHDUSJLEJJ-DTWKUNHWSA-N 0 3 189.299 1.783 20 0 ADADHN F[C@@H]1CCN(C[C@H]2CCSC2)C1 335406125 171202755 /nfs/dbraw/zinc/20/27/55/171202755.db2.gz IGHAIHDUSJLEJJ-RKDXNWHRSA-N 0 3 189.299 1.783 20 0 ADADHN F[C@@H]1CCC[C@H](NCc2ncc[nH]2)C1 335373654 171202780 /nfs/dbraw/zinc/20/27/80/171202780.db2.gz UHJJUHUENHDCHE-BDAKNGLRSA-N 0 3 197.257 1.780 20 0 ADADHN F[C@H]1CCC[C@@H](NCc2cc[nH]n2)C1 335373037 171202832 /nfs/dbraw/zinc/20/28/32/171202832.db2.gz QJQWDOCMGVXBJJ-DTWKUNHWSA-N 0 3 197.257 1.780 20 0 ADADHN F[C@@H]1CCC[C@H](NCc2cc[nH]n2)C1 335373036 171202841 /nfs/dbraw/zinc/20/28/41/171202841.db2.gz QJQWDOCMGVXBJJ-BDAKNGLRSA-N 0 3 197.257 1.780 20 0 ADADHN Cn1nccc1CNC1CC(C)(F)C1 335375513 171202872 /nfs/dbraw/zinc/20/28/72/171202872.db2.gz KRSHPORFBGZWDD-UHFFFAOYSA-N 0 3 197.257 1.400 20 0 ADADHN F[C@H]1CCC[C@@H](NCc2ncc[nH]2)C1 335373655 171202895 /nfs/dbraw/zinc/20/28/95/171202895.db2.gz UHJJUHUENHDCHE-DTWKUNHWSA-N 0 3 197.257 1.780 20 0 ADADHN F[C@H]1CCC[C@H](NCc2cc[nH]n2)C1 335373038 171203073 /nfs/dbraw/zinc/20/30/73/171203073.db2.gz QJQWDOCMGVXBJJ-IUCAKERBSA-N 0 3 197.257 1.780 20 0 ADADHN CO[C@@H](C)CN1CCSC[C@H]1C 335520493 171203643 /nfs/dbraw/zinc/20/36/43/171203643.db2.gz XSQLZWMDBKLLLK-BDAKNGLRSA-N 0 3 189.324 1.459 20 0 ADADHN CC1(C)COCCN1CC1CC1 335587223 171203688 /nfs/dbraw/zinc/20/36/88/171203688.db2.gz VTILKWIAYWBZRE-UHFFFAOYSA-N 0 3 169.268 1.507 20 0 ADADHN CO[C@@H](C)CN1CCS[C@H](C)C1 335520449 171203745 /nfs/dbraw/zinc/20/37/45/171203745.db2.gz KQIQVXPGLLXYKZ-DTWKUNHWSA-N 0 3 189.324 1.459 20 0 ADADHN CO[C@@H](C)CN1CCOCC1(C)C 335594479 171203793 /nfs/dbraw/zinc/20/37/93/171203793.db2.gz IFDSNIKOZITTQE-VIFPVBQESA-N 0 3 187.283 1.132 20 0 ADADHN F[C@@H]1CCN(C[C@@H]2CCCOC2)C1 335406183 171203869 /nfs/dbraw/zinc/20/38/69/171203869.db2.gz LMDUYKQODIBAKF-VHSXEESVSA-N 0 3 187.258 1.457 20 0 ADADHN F[C@@H]1CCN(CC[C@H]2CCOC2)C1 335406705 171203916 /nfs/dbraw/zinc/20/39/16/171203916.db2.gz MLBSIJXUMZEESM-VHSXEESVSA-N 0 3 187.258 1.457 20 0 ADADHN F[C@@H]1CCN(CC[C@@H]2CCOC2)C1 335406703 171203976 /nfs/dbraw/zinc/20/39/76/171203976.db2.gz MLBSIJXUMZEESM-NXEZZACHSA-N 0 3 187.258 1.457 20 0 ADADHN CO[C@@H](C)CN1CCSC[C@@H]1C 335520495 171204233 /nfs/dbraw/zinc/20/42/33/171204233.db2.gz XSQLZWMDBKLLLK-IUCAKERBSA-N 0 3 189.324 1.459 20 0 ADADHN F[C@@H]1CCN(C[C@H]2CCCOC2)C1 335406181 171204239 /nfs/dbraw/zinc/20/42/39/171204239.db2.gz LMDUYKQODIBAKF-NXEZZACHSA-N 0 3 187.258 1.457 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1cnnn1C 335846115 171206007 /nfs/dbraw/zinc/20/60/07/171206007.db2.gz ALAAGAKRLKLDPN-DTORHVGOSA-N 0 3 194.282 1.188 20 0 ADADHN C[C@H]1CC[C@@H](C)N1CC(=O)NC1CC1 335800183 171206140 /nfs/dbraw/zinc/20/61/40/171206140.db2.gz JVACQUUZZJTRQX-DTORHVGOSA-N 0 3 196.294 1.138 20 0 ADADHN CC[C@@H]1CCN(Cc2n[nH]c(C)n2)C1 335820649 171206285 /nfs/dbraw/zinc/20/62/85/171206285.db2.gz BULSJXZYMGATLA-SECBINFHSA-N 0 3 194.282 1.345 20 0 ADADHN c1[nH]nc2c1CN(CC1CCC1)CC2 336156313 171208921 /nfs/dbraw/zinc/20/89/21/171208921.db2.gz HSQUCYWXMXFLCE-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN F[C@H]1CCN(CC2CCOCC2)C1 336223242 171209188 /nfs/dbraw/zinc/20/91/88/171209188.db2.gz NLSNXFLRGXJFPG-JTQLQIEISA-N 0 3 187.258 1.457 20 0 ADADHN F[C@@H]1CCN(CC[C@H]2CCCO2)C1 336263110 171209234 /nfs/dbraw/zinc/20/92/34/171209234.db2.gz RUGJKQPSUOSWCU-NXEZZACHSA-N 0 3 187.258 1.599 20 0 ADADHN CO[C@@H](C)CN1CC[C@H](F)C1 336263009 171209297 /nfs/dbraw/zinc/20/92/97/171209297.db2.gz MJENMFQGYMHZQV-YUMQZZPRSA-N 0 3 161.220 1.065 20 0 ADADHN F[C@H]1CCN(CC2CC2)C1 336222726 171209333 /nfs/dbraw/zinc/20/93/33/171209333.db2.gz FQPMLYBNIWETMD-QMMMGPOBSA-N 0 3 143.205 1.440 20 0 ADADHN Cn1nccc1CN1CCC(C)(C)C1 336331474 171209355 /nfs/dbraw/zinc/20/93/55/171209355.db2.gz PHJTWSILRDCLLM-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN CO[C@@H](C)CN1CC[C@@H](F)C1 336263007 171209461 /nfs/dbraw/zinc/20/94/61/171209461.db2.gz MJENMFQGYMHZQV-JGVFFNPUSA-N 0 3 161.220 1.065 20 0 ADADHN F[C@@H]1CCN(CC2CC2)C1 336222725 171209510 /nfs/dbraw/zinc/20/95/10/171209510.db2.gz FQPMLYBNIWETMD-MRVPVSSYSA-N 0 3 143.205 1.440 20 0 ADADHN F[C@@H]1CCN(CC2CCOCC2)C1 336223243 171209535 /nfs/dbraw/zinc/20/95/35/171209535.db2.gz NLSNXFLRGXJFPG-SNVBAGLBSA-N 0 3 187.258 1.457 20 0 ADADHN F[C@@H]1CCN(CC[C@@H]2CCCO2)C1 336263113 171209623 /nfs/dbraw/zinc/20/96/23/171209623.db2.gz RUGJKQPSUOSWCU-ZJUUUORDSA-N 0 3 187.258 1.599 20 0 ADADHN OC1(CCN2CC[C@H](F)C2)CCC1 336282508 171209852 /nfs/dbraw/zinc/20/98/52/171209852.db2.gz MJDXBXDQCXWZQT-VIFPVBQESA-N 0 3 187.258 1.335 20 0 ADADHN C[C@H]1CC[C@@H](C)CN1CC(=O)N(C)C 336495825 171210326 /nfs/dbraw/zinc/21/03/26/171210326.db2.gz ZAGXSOMHUCFGFV-ZJUUUORDSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)N(C)C(=O)CN1CCC[C@H]1C 336455519 171210336 /nfs/dbraw/zinc/21/03/36/171210336.db2.gz KVEBBGRWTYIATM-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC1(C)COCCN1CCC1CC1 336344677 171210343 /nfs/dbraw/zinc/21/03/43/171210343.db2.gz GHQCNHMEQVGGMK-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1CC[C@@H](C)N(CC(=O)N(C)C)C1 336495824 171210396 /nfs/dbraw/zinc/21/03/96/171210396.db2.gz ZAGXSOMHUCFGFV-VHSXEESVSA-N 0 3 198.310 1.195 20 0 ADADHN c1cc(CN2C[C@@H]3CCC[C@H]3C2)on1 336458447 171210427 /nfs/dbraw/zinc/21/04/27/171210427.db2.gz OYFXISJGYLASJR-UWVGGRQHSA-N 0 3 192.262 1.907 20 0 ADADHN CC(C)N(C)C(=O)CN1CCC[C@@H]1C 336455518 171210496 /nfs/dbraw/zinc/21/04/96/171210496.db2.gz KVEBBGRWTYIATM-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN c1cc(CN2C[C@H]3CCC[C@@H]3C2)on1 336458446 171210521 /nfs/dbraw/zinc/21/05/21/171210521.db2.gz OYFXISJGYLASJR-NXEZZACHSA-N 0 3 192.262 1.907 20 0 ADADHN c1cc(CN2C[C@H]3CCC[C@H]3C2)on1 336458445 171210755 /nfs/dbraw/zinc/21/07/55/171210755.db2.gz OYFXISJGYLASJR-AOOOYVTPSA-N 0 3 192.262 1.907 20 0 ADADHN C[C@H]1CC[C@@H](C)N1CC(=O)N1CCC1 336476136 171210943 /nfs/dbraw/zinc/21/09/43/171210943.db2.gz WFHVOWOCDTZKEQ-AOOOYVTPSA-N 0 3 196.294 1.092 20 0 ADADHN c1cc(CN2CC[C@H]3CCC[C@H]32)n[nH]1 336599080 171211128 /nfs/dbraw/zinc/21/11/28/171211128.db2.gz KXLNWCBNOODTND-MWLCHTKSSA-N 0 3 191.278 1.784 20 0 ADADHN CC[C@@H]1CCN(Cc2ccnn2C)C1 336603157 171211203 /nfs/dbraw/zinc/21/12/03/171211203.db2.gz KEWLPFMUEVEFNI-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN c1cc(CN2CC[C@@H]3CCC[C@@H]32)n[nH]1 336599081 171211227 /nfs/dbraw/zinc/21/12/27/171211227.db2.gz KXLNWCBNOODTND-ONGXEEELSA-N 0 3 191.278 1.784 20 0 ADADHN c1cc(CN2CC[C@@H]3CCC[C@H]32)n[nH]1 336599078 171211309 /nfs/dbraw/zinc/21/13/09/171211309.db2.gz KXLNWCBNOODTND-GXSJLCMTSA-N 0 3 191.278 1.784 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1nccn1C 334140630 171211580 /nfs/dbraw/zinc/21/15/80/171211580.db2.gz ANOUBWFJFKXVFF-AOOOYVTPSA-N 0 3 193.294 1.793 20 0 ADADHN c1cc(CN2CC[C@H]3CCC[C@@H]32)n[nH]1 336599079 171211615 /nfs/dbraw/zinc/21/16/15/171211615.db2.gz KXLNWCBNOODTND-KOLCDFICSA-N 0 3 191.278 1.784 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1cnn(C)c1 334143573 171211623 /nfs/dbraw/zinc/21/16/23/171211623.db2.gz SXOHCXORWAUYDG-AOOOYVTPSA-N 0 3 193.294 1.793 20 0 ADADHN c1[nH]nc2c1CN(CCC1CC1)CC2 334140526 171211630 /nfs/dbraw/zinc/21/16/30/171211630.db2.gz GYDXIXNYMAOXIM-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN c1cncc(CN[C@H]2CCSC2)c1 20140622 171213412 /nfs/dbraw/zinc/21/34/12/171213412.db2.gz VVGHQTOISIEAGM-JTQLQIEISA-N 0 3 194.303 1.677 20 0 ADADHN c1n[nH]nc1CN1CCCCCC1 306160290 171213887 /nfs/dbraw/zinc/21/38/87/171213887.db2.gz OUHHLTWFBWXHQF-UHFFFAOYSA-N 0 3 180.255 1.181 20 0 ADADHN c1[nH]nnc1CN1CCCCCC1 306160290 171213889 /nfs/dbraw/zinc/21/38/89/171213889.db2.gz OUHHLTWFBWXHQF-UHFFFAOYSA-N 0 3 180.255 1.181 20 0 ADADHN F[C@@H]1CCC[C@@H]1NCC1=CCCOC1 306669738 171214208 /nfs/dbraw/zinc/21/42/08/171214208.db2.gz XCRCPYCYDWXTPD-MNOVXSKESA-N 0 3 199.269 1.813 20 0 ADADHN O[C@@H](CN1CCC1)C1CCCCC1 306859996 171214286 /nfs/dbraw/zinc/21/42/86/171214286.db2.gz DGPYPLFMVDXWES-NSHDSACASA-N 0 3 183.295 1.633 20 0 ADADHN F[C@@H]1CC[C@H](NCc2cncnc2)C1 307353596 171215474 /nfs/dbraw/zinc/21/54/74/171215474.db2.gz RTXCXNQPGRCHBZ-ZJUUUORDSA-N 0 3 195.241 1.457 20 0 ADADHN CC[C@@H]1CCN(Cc2cc[nH]n2)C1 306995857 171215925 /nfs/dbraw/zinc/21/59/25/171215925.db2.gz REAFJYOVQLLMPJ-SECBINFHSA-N 0 3 179.267 1.642 20 0 ADADHN F[C@@H]1CC[C@@H](NCc2cncnc2)C1 307353593 171215998 /nfs/dbraw/zinc/21/59/98/171215998.db2.gz RTXCXNQPGRCHBZ-NXEZZACHSA-N 0 3 195.241 1.457 20 0 ADADHN c1cc(CNC2CC2)c2c(c1)OCO2 36167323 171217039 /nfs/dbraw/zinc/21/70/39/171217039.db2.gz NVWUFQAZFPFLIB-UHFFFAOYSA-N 0 3 191.230 1.667 20 0 ADADHN Cc1ccccc1[C@@H](C)NC(=O)CN 40419380 171217472 /nfs/dbraw/zinc/21/74/72/171217472.db2.gz CILCPENULKWADS-SECBINFHSA-N 0 3 192.262 1.131 20 0 ADADHN CC(C)N(C(=O)CN)C1CCCC1 335604774 171217651 /nfs/dbraw/zinc/21/76/51/171217651.db2.gz FJONMMXBWOZSJJ-UHFFFAOYSA-N 0 3 184.283 1.125 20 0 ADADHN Cn1nccc1CN[C@H]1CC1(C)C 45117123 171218280 /nfs/dbraw/zinc/21/82/80/171218280.db2.gz BLQFICUFJWPHER-VIFPVBQESA-N 0 3 179.267 1.308 20 0 ADADHN Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1N 50456847 171218362 /nfs/dbraw/zinc/21/83/62/171218362.db2.gz OQDDOIFAAAKNED-BDAKNGLRSA-N 0 3 190.246 1.281 20 0 ADADHN NCC(=O)N1CCC[C@@H]1C1CCCC1 45088295 171218448 /nfs/dbraw/zinc/21/84/48/171218448.db2.gz NJILKMYPNHNRSZ-SNVBAGLBSA-N 0 3 196.294 1.126 20 0 ADADHN NCC(=O)N1CCC[C@H]1C1CCCC1 45088293 171218549 /nfs/dbraw/zinc/21/85/49/171218549.db2.gz NJILKMYPNHNRSZ-JTQLQIEISA-N 0 3 196.294 1.126 20 0 ADADHN Cc1ccccc1CN[C@@H]1CCOC1 70967509 171218902 /nfs/dbraw/zinc/21/89/02/171218902.db2.gz KMUBEWDXYPIAKK-GFCCVEGCSA-N 0 3 191.274 1.874 20 0 ADADHN c1cncc(CN[C@@H]2CCCOC2)c1 71011078 171219056 /nfs/dbraw/zinc/21/90/56/171219056.db2.gz CTRIGZIUSYXDAS-LLVKDONJSA-N 0 3 192.262 1.350 20 0 ADADHN c1cncc(CN[C@H]2CCCOC2)c1 71011083 171219272 /nfs/dbraw/zinc/21/92/72/171219272.db2.gz CTRIGZIUSYXDAS-NSHDSACASA-N 0 3 192.262 1.350 20 0 ADADHN c1cncc(CN[C@@H]2CCSC2)c1 20140620 171213683 /nfs/dbraw/zinc/21/36/83/171213683.db2.gz VVGHQTOISIEAGM-SNVBAGLBSA-N 0 3 194.303 1.677 20 0 ADADHN Nc1c(F)cccc1CNC1CC1 156349719 344083460 /nfs/dbraw/zinc/08/34/60/344083460.db2.gz YESQPYYNOJBAKD-UHFFFAOYSA-N 0 3 180.226 1.660 20 0 ADADHN CC1CC(NC(=O)C2(N)CCCC2)C1 157664150 344111474 /nfs/dbraw/zinc/11/14/74/344111474.db2.gz HUADMPWCVJGVET-UHFFFAOYSA-N 0 3 196.294 1.173 20 0 ADADHN CC1CC(NC(=O)[C@H]2CCCCN2)C1 157662386 344111491 /nfs/dbraw/zinc/11/14/91/344111491.db2.gz HDPAGCICSBXBCZ-UDNWOFFPSA-N 0 3 196.294 1.043 20 0 ADADHN CS[C@@H](C)CNCc1ccccn1 159298745 344142098 /nfs/dbraw/zinc/14/20/98/344142098.db2.gz FABQRJPPTIJYNT-VIFPVBQESA-N 0 3 196.319 1.923 20 0 ADADHN CC1(NCc2cc[nH]n2)CCOCC1 159321422 344142581 /nfs/dbraw/zinc/14/25/81/344142581.db2.gz LTJMAOKSBXBJHZ-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN C[C@]1(NCc2cncs2)CCOC1 160185445 344159200 /nfs/dbraw/zinc/15/92/00/344159200.db2.gz BPHHPNIFUODJSP-VIFPVBQESA-N 0 3 198.291 1.412 20 0 ADADHN C[C@]1(NCc2ccccn2)CCOC1 160198105 344159669 /nfs/dbraw/zinc/15/96/69/344159669.db2.gz ODXASPXDZNTGDX-NSHDSACASA-N 0 3 192.262 1.350 20 0 ADADHN Cc1ccc(CN[C@]2(C)CCOC2)o1 160193484 344159671 /nfs/dbraw/zinc/15/96/71/344159671.db2.gz DRPHOVWTORFCBS-LLVKDONJSA-N 0 3 195.262 1.857 20 0 ADADHN C[C@]1(NCc2ccncc2)CCOC1 160196645 344159702 /nfs/dbraw/zinc/15/97/02/344159702.db2.gz PVMUJEPSMFWFFR-NSHDSACASA-N 0 3 192.262 1.350 20 0 ADADHN C[C@@]1(O)CCCN(C/C=C/Cl)C1 160988505 344182132 /nfs/dbraw/zinc/18/21/32/344182132.db2.gz LAKBJIZHRVVQJC-HYYFJVDXSA-N 0 3 189.686 1.586 20 0 ADADHN CC1(C)[C@@H](NCc2ccco2)C[C@H]1O 163298950 344221452 /nfs/dbraw/zinc/22/14/52/344221452.db2.gz MAHZWMJKJOKCQI-VHSXEESVSA-N 0 3 195.262 1.529 20 0 ADADHN CC1(C)[C@@H](O)C[C@H]1NCc1ccco1 163298591 344221527 /nfs/dbraw/zinc/22/15/27/344221527.db2.gz MAHZWMJKJOKCQI-ZJUUUORDSA-N 0 3 195.262 1.529 20 0 ADADHN CCn1cnnc1CNCC(C)(C)C 163794006 344230297 /nfs/dbraw/zinc/23/02/97/344230297.db2.gz JEURUWXBMOWJAP-UHFFFAOYSA-N 0 3 196.298 1.434 20 0 ADADHN CC[C@H](C)[C@H](O)CNCc1ccco1 164010380 344235062 /nfs/dbraw/zinc/23/50/62/344235062.db2.gz JPTHVAUKWXQDNC-GXSJLCMTSA-N 0 3 197.278 1.776 20 0 ADADHN CC[C@@H](C)[C@@H](O)CNCc1ccco1 164010485 344235083 /nfs/dbraw/zinc/23/50/83/344235083.db2.gz JPTHVAUKWXQDNC-KOLCDFICSA-N 0 3 197.278 1.776 20 0 ADADHN Cc1nnc(CN[C@H]2CCC[C@H]2C)[nH]1 165788958 344269595 /nfs/dbraw/zinc/26/95/95/344269595.db2.gz DUSMOUFHHYPQFI-APPZFPTMSA-N 0 3 194.282 1.391 20 0 ADADHN CC1=CCN(C(=O)[C@@H](N)C(C)C)CC1 166013127 344273793 /nfs/dbraw/zinc/27/37/93/344273793.db2.gz BOPIDMJOZFHJBK-JTQLQIEISA-N 0 3 196.294 1.148 20 0 ADADHN Cc1ncc([C@@H](C)NC2CC2)c(C)n1 166191748 344276038 /nfs/dbraw/zinc/27/60/38/344276038.db2.gz LOMACRBBPMUPEI-MRVPVSSYSA-N 0 3 191.278 1.906 20 0 ADADHN CC(C)CNC(=O)[C@@H]1C[C@H](C)CCN1 167368879 344303541 /nfs/dbraw/zinc/30/35/41/344303541.db2.gz ZAINUXUYLXNVHA-ZJUUUORDSA-N 0 3 198.310 1.147 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C 200020183 344362365 /nfs/dbraw/zinc/36/23/65/344362365.db2.gz LZCYJOXRAUOVFG-NXEZZACHSA-N 0 3 196.294 1.092 20 0 ADADHN CCN(C)Cc1ccc(C)cn1 199969264 344362372 /nfs/dbraw/zinc/36/23/72/344362372.db2.gz DPOQGKLMXZCVDI-UHFFFAOYSA-N 0 3 164.252 1.842 20 0 ADADHN CCCN1CCO[C@@H](C(C)C)C1 200163719 344362930 /nfs/dbraw/zinc/36/29/30/344362930.db2.gz JOLPSWXTERLGCC-SNVBAGLBSA-N 0 3 171.284 1.753 20 0 ADADHN OCCN1CCC[C@@H]1c1cccnc1 200171493 344362967 /nfs/dbraw/zinc/36/29/67/344362967.db2.gz UDGLNAOITQOIFV-LLVKDONJSA-N 0 3 192.262 1.211 20 0 ADADHN CC(C)N(C)Cc1ccccn1 197748979 344360093 /nfs/dbraw/zinc/36/00/93/344360093.db2.gz MRWMMKQSIOBFGQ-UHFFFAOYSA-N 0 3 164.252 1.922 20 0 ADADHN COc1ccc(CN)c(F)c1OC 212048535 344379417 /nfs/dbraw/zinc/37/94/17/344379417.db2.gz VHXQGWDHHFVHJX-UHFFFAOYSA-N 0 3 185.198 1.302 20 0 ADADHN CCCN(C)Cc1cccnc1 219064142 344419614 /nfs/dbraw/zinc/41/96/14/344419614.db2.gz NVDKPIJMHFEWMK-UHFFFAOYSA-N 0 3 164.252 1.923 20 0 ADADHN CCCCN1CCO[C@H](COC)C1 219194372 344421117 /nfs/dbraw/zinc/42/11/17/344421117.db2.gz GHYONPQWPZMNJS-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CCN1CCc2ccc(O)cc2C1 221272183 344441275 /nfs/dbraw/zinc/44/12/75/344441275.db2.gz WHUWXDJITSLENP-UHFFFAOYSA-N 0 3 177.247 1.770 20 0 ADADHN C[C@@H](N[C@@H]1CCSC1)c1cn[nH]c1 222487739 344452363 /nfs/dbraw/zinc/45/23/63/344452363.db2.gz XCLRUYBJGKDCBR-VXNVDRBHSA-N 0 3 197.307 1.566 20 0 ADADHN C[C@@H](N[C@H]1CCSC1)c1cn[nH]c1 222487872 344452602 /nfs/dbraw/zinc/45/26/02/344452602.db2.gz XCLRUYBJGKDCBR-APPZFPTMSA-N 0 3 197.307 1.566 20 0 ADADHN CC1(CNC(=O)[C@@H]2CCCCN2)CC1 225526422 344483245 /nfs/dbraw/zinc/48/32/45/344483245.db2.gz MJCODRXOQHUNFI-VIFPVBQESA-N 0 3 196.294 1.045 20 0 ADADHN CC1(CNC(=O)[C@H]2CCCCN2)CC1 225526454 344483269 /nfs/dbraw/zinc/48/32/69/344483269.db2.gz MJCODRXOQHUNFI-SECBINFHSA-N 0 3 196.294 1.045 20 0 ADADHN C[C@@]1(O)CCN(CCC(F)(F)F)C1 226204462 344494247 /nfs/dbraw/zinc/49/42/47/344494247.db2.gz ZSSLUTSMRVEQDD-SSDOTTSWSA-N 0 3 197.200 1.396 20 0 ADADHN C[C@]1(O)CCN(Cc2ccncc2)C1 226271020 344497037 /nfs/dbraw/zinc/49/70/37/344497037.db2.gz DDRBEDMVUGDDQW-NSHDSACASA-N 0 3 192.262 1.038 20 0 ADADHN C[C@@]1(O)CCN(Cc2ccncc2)C1 226271014 344497088 /nfs/dbraw/zinc/49/70/88/344497088.db2.gz DDRBEDMVUGDDQW-LLVKDONJSA-N 0 3 192.262 1.038 20 0 ADADHN CC(=O)[C@@]1(N)CCC[C@@H](C)C1 226462759 344503699 /nfs/dbraw/zinc/50/36/99/344503699.db2.gz BLZFNIMROJSFJY-VXNVDRBHSA-N 0 3 155.241 1.483 20 0 ADADHN C[C@@H]1CCN(Cc2ccco2)[C@@H]1CO 227186780 344524688 /nfs/dbraw/zinc/52/46/88/344524688.db2.gz OYHKAKGRCKIQIL-MWLCHTKSSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@@H]1CN(C2CCCC2)C[C@@H](CO)O1 230010979 344623554 /nfs/dbraw/zinc/62/35/54/344623554.db2.gz AWMCJFBSOVQSKW-KOLCDFICSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CN(C2CCCC2)C[C@@H](CO)O1 230010984 344623598 /nfs/dbraw/zinc/62/35/98/344623598.db2.gz AWMCJFBSOVQSKW-ONGXEEELSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H]1OCC[C@@]1(C)NCc1c[nH]cn1 230152307 344626863 /nfs/dbraw/zinc/62/68/63/344626863.db2.gz RQCGQCUGJCEJNN-WCBMZHEXSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1OCC[C@@]1(C)NCc1cnc[nH]1 230152307 344626865 /nfs/dbraw/zinc/62/68/65/344626865.db2.gz RQCGQCUGJCEJNN-WCBMZHEXSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1CCN(Cc2ccco2)C[C@@H]1O 230267829 344630429 /nfs/dbraw/zinc/63/04/29/344630429.db2.gz MNOQRZOIEHPLJQ-ONGXEEELSA-N 0 3 195.262 1.482 20 0 ADADHN Cc1cncc(CN[C@H]2CCOC2)c1 230313284 344630842 /nfs/dbraw/zinc/63/08/42/344630842.db2.gz FJQDYDSDTYYORC-NSHDSACASA-N 0 3 192.262 1.269 20 0 ADADHN Cc1cncc(CN[C@@H]2CCOC2)c1 230313280 344630899 /nfs/dbraw/zinc/63/08/99/344630899.db2.gz FJQDYDSDTYYORC-LLVKDONJSA-N 0 3 192.262 1.269 20 0 ADADHN C[C@@H]1C[C@@H]1NCc1cncc(F)c1 230940138 344645720 /nfs/dbraw/zinc/64/57/20/344645720.db2.gz GSNXOHDHTRXMIP-XCBNKYQSSA-N 0 3 180.226 1.719 20 0 ADADHN Fc1cncc(CNC2CCC2)c1 230940418 344645745 /nfs/dbraw/zinc/64/57/45/344645745.db2.gz UDKFWPQJERLQJC-UHFFFAOYSA-N 0 3 180.226 1.863 20 0 ADADHN C[C@@H]1C[C@@H](NCc2ccno2)CCO1 231882914 344662967 /nfs/dbraw/zinc/66/29/67/344662967.db2.gz KQYNOBDWPBRRPZ-BDAKNGLRSA-N 0 3 196.250 1.332 20 0 ADADHN CC(C)C1CCN([C@@H](C)C(N)=O)CC1 231699200 344657475 /nfs/dbraw/zinc/65/74/75/344657475.db2.gz LFTWEHJDZLDHLV-VIFPVBQESA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H]1CC[C@H](CN2CCC[C@@H](O)C2)O1 232030581 344670075 /nfs/dbraw/zinc/67/00/75/344670075.db2.gz RPFPIWNENJAAKZ-GMTAPVOTSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CC[C@@H](CN2CCC(O)CC2)O1 232030602 344670105 /nfs/dbraw/zinc/67/01/05/344670105.db2.gz GZTDAYWQPLZAOW-ONGXEEELSA-N 0 3 199.294 1.011 20 0 ADADHN CC(C)c1cc2nccc(CN)n2n1 232779764 344689988 /nfs/dbraw/zinc/68/99/88/344689988.db2.gz SNMAPFSRQWVZAM-UHFFFAOYSA-N 0 3 190.250 1.311 20 0 ADADHN CCCc1cc2nccc(CN)n2n1 233380927 344701561 /nfs/dbraw/zinc/70/15/61/344701561.db2.gz TZFKFPDSJMUGMV-UHFFFAOYSA-N 0 3 190.250 1.141 20 0 ADADHN CNCC(=O)N[C@@H]1CCC[C@@H](C)CC1 234375559 344719053 /nfs/dbraw/zinc/71/90/53/344719053.db2.gz XIOOTDCUVGSHDG-NXEZZACHSA-N 0 3 198.310 1.291 20 0 ADADHN CNCC(=O)N[C@@H]1CCC[C@H](C)CC1 234375595 344719081 /nfs/dbraw/zinc/71/90/81/344719081.db2.gz XIOOTDCUVGSHDG-VHSXEESVSA-N 0 3 198.310 1.291 20 0 ADADHN Cl/C=C/CN[C@H]1CCOC1 236015474 344771524 /nfs/dbraw/zinc/77/15/24/344771524.db2.gz YWIYHXZXKCYCOL-RMKMGNDCSA-N 0 3 161.632 1.117 20 0 ADADHN C[C@H](N)c1cc(F)ccn1 238421379 344806201 /nfs/dbraw/zinc/80/62/01/344806201.db2.gz JLWBNANFBVXBSG-YFKPBYRVSA-N 0 3 140.161 1.240 20 0 ADADHN Cc1cc([C@H](N)CF)ccc1O 238522928 344810597 /nfs/dbraw/zinc/81/05/97/344810597.db2.gz CRIJYYNCUSZGJO-MRVPVSSYSA-N 0 3 169.199 1.670 20 0 ADADHN N=C(N)c1cnccc1C(F)(F)F 238608274 344815300 /nfs/dbraw/zinc/81/53/00/344815300.db2.gz HCZPRHMTTNERML-UHFFFAOYSA-N 0 3 189.140 1.384 20 0 ADADHN CCCNC(=O)CN1CCC[C@H](C)C1 244431645 344825917 /nfs/dbraw/zinc/82/59/17/344825917.db2.gz YYGLGMZWKBVAPY-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN N[C@H](CF)c1ccc2c(c1)CCO2 238685808 344819047 /nfs/dbraw/zinc/81/90/47/344819047.db2.gz PFPCYIQSNJFKNM-SECBINFHSA-N 0 3 181.210 1.591 20 0 ADADHN CCN1CC[C@H](N)[C@H]1c1ccco1 250226960 344831093 /nfs/dbraw/zinc/83/10/93/344831093.db2.gz FPIHBFXUMDVSOM-WPRPVWTQSA-N 0 3 180.251 1.374 20 0 ADADHN CC[C@@H](O)CN1CCSC[C@H]1C 251038938 344844720 /nfs/dbraw/zinc/84/47/20/344844720.db2.gz BYOJBVJZJJZUSS-RKDXNWHRSA-N 0 3 189.324 1.195 20 0 ADADHN CC[C@](C)(N)C(=O)N[C@@H]1CCC[C@H]1C 251362483 344852640 /nfs/dbraw/zinc/85/26/40/344852640.db2.gz XCNGTLFVZAGZAG-KKZNHRDASA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H]1CCCN([C@H](C)C(N)=O)CC1 251673784 344865056 /nfs/dbraw/zinc/86/50/56/344865056.db2.gz HOYHBOYXNXJNOA-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H]1C[C@@H](C)C[C@H](OC2CNC2)C1 251757346 344871340 /nfs/dbraw/zinc/87/13/40/344871340.db2.gz DLJBXCGQAJPKAY-MYJAWHEDSA-N 0 3 183.295 1.800 20 0 ADADHN CCN1CC[C@@H](N)[C@H]1c1cncs1 252773666 344913346 /nfs/dbraw/zinc/91/33/46/344913346.db2.gz WCMHVCZYQFKCLP-APPZFPTMSA-N 0 3 197.307 1.237 20 0 ADADHN COC(=O)C1CCN(C2CC2)CC1 259185503 344947906 /nfs/dbraw/zinc/94/79/06/344947906.db2.gz HSDCAWFGKOHUHQ-UHFFFAOYSA-N 0 3 183.251 1.034 20 0 ADADHN CC[C@H](C)n1cc([C@@H](N)C(C)C)nn1 300902515 345011173 /nfs/dbraw/zinc/01/11/73/345011173.db2.gz LATJUMVXKBQPMZ-WPRPVWTQSA-N 0 3 196.298 1.905 20 0 ADADHN CC(C)C[C@H](C)CN1CC(C)(O)C1 301014342 345026358 /nfs/dbraw/zinc/02/63/58/345026358.db2.gz ZIHBPNOSVVCIBC-JTQLQIEISA-N 0 3 185.311 1.735 20 0 ADADHN Cl/C=C/CN1CCc2n[nH]cc2C1 306170286 345061469 /nfs/dbraw/zinc/06/14/69/345061469.db2.gz JNSXRTZCHVKTBV-HNQUOIGGSA-N 0 3 197.669 1.520 20 0 ADADHN CC[C@H](O)CN1CC[C@](C)(F)C1 306187784 345078708 /nfs/dbraw/zinc/07/87/08/345078708.db2.gz NWGONEGAHGYXNL-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@H]1CN(Cc2cc[nH]n2)C[C@@H]1C 306240656 345133443 /nfs/dbraw/zinc/13/34/43/345133443.db2.gz UEWWNCLXAOXCOV-IUCAKERBSA-N 0 3 179.267 1.498 20 0 ADADHN CCCN1C[C@H](C)O[C@@H](C2CC2)C1 306242705 345134812 /nfs/dbraw/zinc/13/48/12/345134812.db2.gz SLFCKERETVRZBW-GXSJLCMTSA-N 0 3 183.295 1.896 20 0 ADADHN CN(Cc1ccsc1)C1CC(O)C1 306263757 345154279 /nfs/dbraw/zinc/15/42/79/345154279.db2.gz NOPZEVQLNQMGKQ-UHFFFAOYSA-N 0 3 197.303 1.703 20 0 ADADHN Cc1nnsc1CNC1CC(C)C1 306268762 345157777 /nfs/dbraw/zinc/15/77/77/345157777.db2.gz KETJALMDQNTZIC-UHFFFAOYSA-N 0 3 197.307 1.735 20 0 ADADHN C[C@H]1[C@@H](C)N(C)CCN1CCCF 306277370 345164813 /nfs/dbraw/zinc/16/48/13/345164813.db2.gz UPLIMEHRKXMNMM-ZJUUUORDSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@H]1CN(CC2(C)CCC2)CCO1 306310730 345190304 /nfs/dbraw/zinc/19/03/04/345190304.db2.gz XBUMUMXJNYTFLR-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H](N)C(=O)N1CCC2(CCC2)CC1 306369436 345238393 /nfs/dbraw/zinc/23/83/93/345238393.db2.gz JSNQUAOTYKVRFD-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN CC[C@H]1CCCN1Cc1c[nH]cn1 306388381 345251847 /nfs/dbraw/zinc/25/18/47/345251847.db2.gz VHJMRENQGKZYEI-JTQLQIEISA-N 0 3 179.267 1.784 20 0 ADADHN CC[C@]1(C)CN(CC2CC2)CCO1 306437488 345298229 /nfs/dbraw/zinc/29/82/29/345298229.db2.gz FGFHUSPGZIOUFJ-LLVKDONJSA-N 0 3 183.295 1.897 20 0 ADADHN CCn1cc(CN2CCCC2)cn1 306455296 345314944 /nfs/dbraw/zinc/31/49/44/345314944.db2.gz NZWHOVGPTWEIHF-UHFFFAOYSA-N 0 3 179.267 1.499 20 0 ADADHN CC[C@@H]1CO[C@@H](C)CN1CC 306466809 345328056 /nfs/dbraw/zinc/32/80/56/345328056.db2.gz JVQZUFHHBOWCLZ-DTWKUNHWSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@H]1CO[C@H](C)CN1CC 306466808 345328106 /nfs/dbraw/zinc/32/81/06/345328106.db2.gz JVQZUFHHBOWCLZ-BDAKNGLRSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@@H]1CO[C@H](C)CN1CC 306466813 345328110 /nfs/dbraw/zinc/32/81/10/345328110.db2.gz JVQZUFHHBOWCLZ-RKDXNWHRSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@H]1CO[C@@H](C)CN1CC 306466811 345328115 /nfs/dbraw/zinc/32/81/15/345328115.db2.gz JVQZUFHHBOWCLZ-IUCAKERBSA-N 0 3 157.257 1.506 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cn(C)cn1 306474723 345339333 /nfs/dbraw/zinc/33/93/33/345339333.db2.gz WCZMDLOBRHQOTE-MWLCHTKSSA-N 0 3 193.294 1.698 20 0 ADADHN CC1(C)CC[C@H](NC2(C(N)=O)CC2)C1 306478138 345344363 /nfs/dbraw/zinc/34/43/63/345344363.db2.gz ZGWNBJWVXCQBBY-QMMMGPOBSA-N 0 3 196.294 1.173 20 0 ADADHN Cc1ccc(CN(C)C2CC2)cn1 306478173 345344386 /nfs/dbraw/zinc/34/43/86/345344386.db2.gz BCBWLGXSKCFKDH-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN Cc1cc([C@@H](C)NC2CCC2)nn1C 306468562 345330580 /nfs/dbraw/zinc/33/05/80/345330580.db2.gz NYDJTTARYFFRNJ-SECBINFHSA-N 0 3 193.294 1.932 20 0 ADADHN CC1(C)CN[C@@H]1c1ccco1 306500462 345374781 /nfs/dbraw/zinc/37/47/81/345374781.db2.gz YERKSMSQXWCIAA-MRVPVSSYSA-N 0 3 151.209 1.950 20 0 in-vitro ADADHN C[C@H]1C[C@H](C)N(Cc2ccno2)C1 306550783 345426169 /nfs/dbraw/zinc/42/61/69/345426169.db2.gz ZRUFAVAAVZTXGU-IUCAKERBSA-N 0 3 180.251 1.905 20 0 ADADHN CN[C@@H](C)C(=O)N1C[C@@H](C)CC1(C)C 306561602 345437738 /nfs/dbraw/zinc/43/77/38/345437738.db2.gz SZBIZCITCMCIQX-IUCAKERBSA-N 0 3 198.310 1.241 20 0 ADADHN CN[C@@H](C)C(=O)N1C[C@H](C)CC1(C)C 306561601 345437778 /nfs/dbraw/zinc/43/77/78/345437778.db2.gz SZBIZCITCMCIQX-BDAKNGLRSA-N 0 3 198.310 1.241 20 0 ADADHN CC1(C)CC2(C1)NCCc1nc[nH]c12 306592616 345469755 /nfs/dbraw/zinc/46/97/55/345469755.db2.gz ZWHKSSNTODDFGX-UHFFFAOYSA-N 0 3 191.278 1.571 20 0 ADADHN C[C@]1(NCc2ncc[nH]2)CC=CCC1 306601797 345477407 /nfs/dbraw/zinc/47/74/07/345477407.db2.gz CNCNEJKKGHPFJM-NSHDSACASA-N 0 3 191.278 1.998 20 0 ADADHN CC1(C)CC(NCc2ccno2)C1 306637387 345505616 /nfs/dbraw/zinc/50/56/16/345505616.db2.gz BPDQCSQIZQHEJD-UHFFFAOYSA-N 0 3 180.251 1.953 20 0 ADADHN CC[C@@H]1CN(Cc2ccco2)C[C@@H]1O 306656036 345521873 /nfs/dbraw/zinc/52/18/73/345521873.db2.gz LHDNTECMEDXBPF-KOLCDFICSA-N 0 3 195.262 1.482 20 0 ADADHN CC[C@H]1CN(Cc2ccco2)C[C@H]1O 306656035 345521967 /nfs/dbraw/zinc/52/19/67/345521967.db2.gz LHDNTECMEDXBPF-GXSJLCMTSA-N 0 3 195.262 1.482 20 0 ADADHN CC[C@@H]1CN(Cc2ccco2)C[C@H]1O 306656037 345521978 /nfs/dbraw/zinc/52/19/78/345521978.db2.gz LHDNTECMEDXBPF-MWLCHTKSSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@H]1C[C@H](O)CN1Cc1ccncc1 306657238 345522918 /nfs/dbraw/zinc/52/29/18/345522918.db2.gz JRVXAKMDTISHTI-ONGXEEELSA-N 0 3 192.262 1.037 20 0 ADADHN CC(C)[C@@H]1CCCCN1C(=O)[C@@H](C)N 306637547 345505652 /nfs/dbraw/zinc/50/56/52/345505652.db2.gz MGDLXDGJZKXFEW-ZJUUUORDSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1OCCN(CC2CCC2)[C@@H]1C 306669507 345531886 /nfs/dbraw/zinc/53/18/86/345531886.db2.gz LEJZYFJOPGRMGZ-NXEZZACHSA-N 0 3 183.295 1.896 20 0 ADADHN CC(C)c1noc(C2(C)CNC2)n1 306857242 345661151 /nfs/dbraw/zinc/66/11/51/345661151.db2.gz ZQJKSJVVNRPUJI-UHFFFAOYSA-N 0 3 181.239 1.054 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CC=CCC1 307003783 345745928 /nfs/dbraw/zinc/74/59/28/345745928.db2.gz CWMWLLUYMKXQMV-SNVBAGLBSA-N 0 3 191.278 1.916 20 0 ADADHN CN[C@@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 307115863 345818446 /nfs/dbraw/zinc/81/84/46/345818446.db2.gz WVMLVQCHZPPGPP-GUBZILKMSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@H](C)CN1CCO[C@@H](C)C1 307088974 345803665 /nfs/dbraw/zinc/80/36/65/345803665.db2.gz ULLXDROIPPNNDJ-UWVGGRQHSA-N 0 3 171.284 1.753 20 0 ADADHN CC[C@]1(C)CCCN(C(=O)[C@@H](C)N)C1 307150154 345842734 /nfs/dbraw/zinc/84/27/34/345842734.db2.gz SNAVUAAWBVNWQP-MWLCHTKSSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@]1(C)CCCN(C(=O)[C@@H](C)N)C1 307150153 345842785 /nfs/dbraw/zinc/84/27/85/345842785.db2.gz SNAVUAAWBVNWQP-KOLCDFICSA-N 0 3 198.310 1.372 20 0 ADADHN COC(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C 307264641 345934321 /nfs/dbraw/zinc/93/43/21/345934321.db2.gz KCWWQHPXECZKLB-DJLDLDEBSA-N 0 3 185.267 1.136 20 0 ADADHN C[C@H]1CC[C@@H]1NCc1nccn1C 307273988 345940536 /nfs/dbraw/zinc/94/05/36/345940536.db2.gz LKAWLIZEBQYNOV-IUCAKERBSA-N 0 3 179.267 1.308 20 0 ADADHN C[C@H]1CC[C@H]1NCc1nccn1C 307273987 345940562 /nfs/dbraw/zinc/94/05/62/345940562.db2.gz LKAWLIZEBQYNOV-DTWKUNHWSA-N 0 3 179.267 1.308 20 0 ADADHN CC1(C)CC[C@@]2(COCCN2)C1 307313622 345964377 /nfs/dbraw/zinc/96/43/77/345964377.db2.gz KGLKBQBTPKEYJP-JTQLQIEISA-N 0 3 169.268 1.555 20 0 ADADHN CC1(C)CC[C@]2(COCCN2)C1 307313625 345965049 /nfs/dbraw/zinc/96/50/49/345965049.db2.gz KGLKBQBTPKEYJP-SNVBAGLBSA-N 0 3 169.268 1.555 20 0 ADADHN c1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)n[nH]1 307405753 346022325 /nfs/dbraw/zinc/02/23/25/346022325.db2.gz LXQSBDZWAYLAIY-JMJZKYOTSA-N 0 3 191.278 1.688 20 0 ADADHN C[C@H](N[C@H]1CC1(C)C)c1ccncn1 307599071 346138407 /nfs/dbraw/zinc/13/84/07/346138407.db2.gz QGXCVRGLBNZJIK-WPRPVWTQSA-N 0 3 191.278 1.926 20 0 ADADHN F[C@@H]1CCCC[C@H]1N[C@H]1CCOC1 307604575 346141688 /nfs/dbraw/zinc/14/16/88/346141688.db2.gz WNQZZJFJZVVEHS-IVZWLZJFSA-N 0 3 187.258 1.646 20 0 ADADHN Cn1nccc1CNC1CCC1 52208044 207353051 /nfs/dbraw/zinc/35/30/51/207353051.db2.gz QAPBOWJVYCXSFH-UHFFFAOYSA-N 0 3 165.240 1.062 20 0 ADADHN c1c[nH]c(CNC2CCC2)n1 52208898 207353310 /nfs/dbraw/zinc/35/33/10/207353310.db2.gz BYRYLNKPYOGLRU-UHFFFAOYSA-N 0 3 151.213 1.052 20 0 ADADHN C[C@@H](NC1CC=CC1)c1cn[nH]c1 307686848 346183569 /nfs/dbraw/zinc/18/35/69/346183569.db2.gz CEFXZERTVMUJKI-MRVPVSSYSA-N 0 3 177.251 1.779 20 0 ADADHN Cc1n[nH]cc1CN1CCC[C@H]1C 307690050 346185722 /nfs/dbraw/zinc/18/57/22/346185722.db2.gz HJUBMQGUIUVXOJ-MRVPVSSYSA-N 0 3 179.267 1.702 20 0 ADADHN CCCCN(C)[C@H](C)C(=O)N(C)C 308244016 346274566 /nfs/dbraw/zinc/27/45/66/346274566.db2.gz UEOXOMQFJYWSKP-SECBINFHSA-N 0 3 186.299 1.195 20 0 ADADHN CCN(C)C(=O)CN(C)CC(C)C 308248637 346275526 /nfs/dbraw/zinc/27/55/26/346275526.db2.gz ZTMCFIIUTYKRKQ-UHFFFAOYSA-N 0 3 186.299 1.053 20 0 ADADHN C[C@H](O)CN(C)[C@@H](C)c1ccncc1 308400128 346298187 /nfs/dbraw/zinc/29/81/87/346298187.db2.gz HLWLLRAHKQUAFI-UWVGGRQHSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@H](O)CN(C)[C@H](C)c1ccncc1 308400129 346298345 /nfs/dbraw/zinc/29/83/45/346298345.db2.gz HLWLLRAHKQUAFI-VHSXEESVSA-N 0 3 194.278 1.455 20 0 ADADHN CC[C@@H](C)NC(=O)[C@@H](C)N1CCCC1 308448961 346304058 /nfs/dbraw/zinc/30/40/58/346304058.db2.gz AMBMMXWJQLXLAD-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CSCCCNCc1n[nH]cc1C 308308575 346285575 /nfs/dbraw/zinc/28/55/75/346285575.db2.gz PLZAPEWDYYMNQT-UHFFFAOYSA-N 0 3 199.323 1.561 20 0 ADADHN CC(C)[C@@H]1CCN1Cc1cnn(C)c1 334165164 346328792 /nfs/dbraw/zinc/32/87/92/346328792.db2.gz AHTKRXSFBGDPGZ-NSHDSACASA-N 0 3 193.294 1.650 20 0 ADADHN CC[C@@H]1CCCCN1CC(=O)N(C)C 334284916 346338252 /nfs/dbraw/zinc/33/82/52/346338252.db2.gz BMKHFFWVAPFDTO-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN C[C@](O)(CNCc1ccco1)C1CC1 308622451 346315497 /nfs/dbraw/zinc/31/54/97/346315497.db2.gz WYZXTVHMVAARTE-NSHDSACASA-N 0 3 195.262 1.530 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1cnn(C)c1 334143575 346327255 /nfs/dbraw/zinc/32/72/55/346327255.db2.gz SXOHCXORWAUYDG-UWVGGRQHSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@H]1CCC[C@@H](C)N1CC(=O)N(C)C 334386229 346344634 /nfs/dbraw/zinc/34/46/34/346344634.db2.gz NLSXCVCVEGNSAA-AOOOYVTPSA-N 0 3 198.310 1.338 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCOC2(CCC2)C1 334569431 346355204 /nfs/dbraw/zinc/35/52/04/346355204.db2.gz PLORLQPVRDWSBE-WDEREUQCSA-N 0 3 195.306 1.897 20 0 ADADHN Cc1cn[nH]c1CN(C)[C@H]1CC1(C)C 334599061 346355813 /nfs/dbraw/zinc/35/58/13/346355813.db2.gz FHLGJUXXZPIFMQ-JTQLQIEISA-N 0 3 193.294 1.948 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@@H](O)C2)cc1 334617901 346357407 /nfs/dbraw/zinc/35/74/07/346357407.db2.gz CEYPUBMSCJFELZ-TXEJJXNPSA-N 0 3 191.274 1.608 20 0 ADADHN C[C@H]1CCN(Cc2ccn(C)n2)[C@@H]1C 334313756 346339791 /nfs/dbraw/zinc/33/97/91/346339791.db2.gz YMQJFBVEJPPYAV-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN CC(C)[C@@H]1CN(CCO)CCS1 334311792 346340149 /nfs/dbraw/zinc/34/01/49/346340149.db2.gz RWWMVDHLAYALBW-VIFPVBQESA-N 0 3 189.324 1.052 20 0 ADADHN CNC(=O)[C@@H]1CCCN1CC=C(C)C 334321589 346340334 /nfs/dbraw/zinc/34/03/34/346340334.db2.gz HZDJUYOJOKMNCF-JTQLQIEISA-N 0 3 196.294 1.163 20 0 ADADHN Cc1ccoc1CN1CC[C@@](C)(O)C1 335118015 346379697 /nfs/dbraw/zinc/37/96/97/346379697.db2.gz MPHAYZPAYWNOOP-LLVKDONJSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccc(CN2CC[C@H](C)C2)nn1 335132505 346380430 /nfs/dbraw/zinc/38/04/30/346380430.db2.gz ORGWBKZICRUEKY-VIFPVBQESA-N 0 3 191.278 1.627 20 0 ADADHN C[C@H]1CN(Cc2cnccn2)C[C@@H]1C 335146162 346381140 /nfs/dbraw/zinc/38/11/40/346381140.db2.gz IOEBNTNGZVBMEA-UWVGGRQHSA-N 0 3 191.278 1.564 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2cnccn2)C1 335145333 346381240 /nfs/dbraw/zinc/38/12/40/346381240.db2.gz AIBOFZWBWTUGJB-UWVGGRQHSA-N 0 3 191.278 1.707 20 0 ADADHN CC(C)N[C@@H](C)c1ccn(C)n1 334793203 346365102 /nfs/dbraw/zinc/36/51/02/346365102.db2.gz UXBOEKBBKJWWDS-QMMMGPOBSA-N 0 3 167.256 1.479 20 0 ADADHN C[C@H]1CCCN(Cc2ccnn2C)C1 334975443 346372766 /nfs/dbraw/zinc/37/27/66/346372766.db2.gz DPUVHOHXABQJLJ-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN CC[C@@H]1CN(C[C@@H]2CCOC2)CCO1 335520715 346402390 /nfs/dbraw/zinc/40/23/90/346402390.db2.gz FDZYVSPPVSTTBC-WDEREUQCSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@H]1CCCN1Cc1cnn(C)c1 335521020 346402401 /nfs/dbraw/zinc/40/24/01/346402401.db2.gz UFKWHYWGSCQQFT-NSHDSACASA-N 0 3 193.294 1.795 20 0 ADADHN CC[C@H]1CCCN1Cc1nccn1C 335520788 346402417 /nfs/dbraw/zinc/40/24/17/346402417.db2.gz LWSDULOSAZSNOD-JTQLQIEISA-N 0 3 193.294 1.795 20 0 ADADHN C[C@H](NC1CC1)C(=O)N1CCC[C@H]1C 335655937 346411361 /nfs/dbraw/zinc/41/13/61/346411361.db2.gz DJLRLLYKFVEGJL-BDAKNGLRSA-N 0 3 196.294 1.138 20 0 ADADHN CC(C)NC(=O)CN1CC[C@H](C)[C@@H]1C 335724210 346416351 /nfs/dbraw/zinc/41/63/51/346416351.db2.gz WANSWUCSJOZUTK-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN Cc1nc(CN2CC[C@@H](C)[C@@H]2C)n[nH]1 335724170 346416444 /nfs/dbraw/zinc/41/64/44/346416444.db2.gz RCPUBLJUPYHQFO-SFYZADRCSA-N 0 3 194.282 1.343 20 0 ADADHN C[C@H]1CN(C[C@H]2CCCOC2)CCO1 335734715 346417057 /nfs/dbraw/zinc/41/70/57/346417057.db2.gz ZXLTWIDLPVHRLF-WDEREUQCSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1CN(C[C@@H]2CCCOC2)CCO1 335734714 346417063 /nfs/dbraw/zinc/41/70/63/346417063.db2.gz ZXLTWIDLPVHRLF-QWRGUYRKSA-N 0 3 199.294 1.134 20 0 ADADHN CC(C)N1CCN(C[C@@H]2C[C@H]2C)CC1 335837564 346423191 /nfs/dbraw/zinc/42/31/91/346423191.db2.gz CEYMGYJYUHAXES-NEPJUHHUSA-N 0 3 196.338 1.668 20 0 ADADHN CC(C)N(C)CC(=O)N1CC[C@@H](C)C1 336324149 346454554 /nfs/dbraw/zinc/45/45/54/346454554.db2.gz KZHNZWJVOSFQRX-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CCn1cc(CN2CCC[C@@H]2C)cn1 336325583 346454621 /nfs/dbraw/zinc/45/46/21/346454621.db2.gz AUEYQFURIWEWFF-JTQLQIEISA-N 0 3 193.294 1.887 20 0 ADADHN CC[C@H]1CCCN1CC(=O)N1CCC1 336334809 346455402 /nfs/dbraw/zinc/45/54/02/346455402.db2.gz ZLDPPDHACOJZPW-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN CCCN1CCOCC12CCC2 336334667 346455413 /nfs/dbraw/zinc/45/54/13/346455413.db2.gz WSWJVMCYDFTQOX-UHFFFAOYSA-N 0 3 169.268 1.651 20 0 ADADHN CCCN1C[C@H](C)OC(C)(C)C1 336334545 346455423 /nfs/dbraw/zinc/45/54/23/346455423.db2.gz FKLUXFRMDZPVRG-VIFPVBQESA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H]1COCCN1CC(C)C 336334661 346455433 /nfs/dbraw/zinc/45/54/33/346455433.db2.gz WCFVAVSKZQOTGH-JTQLQIEISA-N 0 3 171.284 1.753 20 0 ADADHN CN(Cc1ccncc1)C1CC1 336553085 346471797 /nfs/dbraw/zinc/47/17/97/346471797.db2.gz JKQIOSPGIASOKK-UHFFFAOYSA-N 0 3 162.236 1.676 20 0 ADADHN CC[C@H]1CN(C(C)C)C[C@@H](C)O1 336554234 346473442 /nfs/dbraw/zinc/47/34/42/346473442.db2.gz IPSUXNZDVNDFJP-ZJUUUORDSA-N 0 3 171.284 1.894 20 0 ADADHN CN1CC[C@@H](N(C)C2CCCC2)C1=O 336553979 346473545 /nfs/dbraw/zinc/47/35/45/346473545.db2.gz TXVHLHVHHHYMLM-SNVBAGLBSA-N 0 3 196.294 1.092 20 0 ADADHN CC1(C)[C@H]2CN(Cc3ccno3)C[C@H]21 336574388 346476076 /nfs/dbraw/zinc/47/60/76/346476076.db2.gz HBGJAFDEUBCQDW-AOOOYVTPSA-N 0 3 192.262 1.762 20 0 ADADHN C[C@H]1C[C@H]1CN1CCOCC12CCC2 336568381 346476149 /nfs/dbraw/zinc/47/61/49/346476149.db2.gz JNWXTSXKQBUUIW-QWRGUYRKSA-N 0 3 195.306 1.897 20 0 ADADHN C[C@H]1CCCCN1Cc1cnn(C)c1 336594577 346477875 /nfs/dbraw/zinc/47/78/75/346477875.db2.gz UCFPGXNJEPJKNC-JTQLQIEISA-N 0 3 193.294 1.795 20 0 ADADHN Cc1cn[nH]c1CN1CCC12CCC2 336625105 346479733 /nfs/dbraw/zinc/47/97/33/346479733.db2.gz MAWNXPXHJJHFDM-UHFFFAOYSA-N 0 3 191.278 1.847 20 0 ADADHN CC[C@H]1CCCN1Cc1cncn1C 336631421 346480410 /nfs/dbraw/zinc/48/04/10/346480410.db2.gz LCEDWKCOFHGBSM-JTQLQIEISA-N 0 3 193.294 1.795 20 0 ADADHN CC[C@@H]1CCCN1Cc1cncn1C 336631422 346480521 /nfs/dbraw/zinc/48/05/21/346480521.db2.gz LCEDWKCOFHGBSM-SNVBAGLBSA-N 0 3 193.294 1.795 20 0 ADADHN COC[C@H](C)CNCc1cc(C)n[nH]1 379567780 346524866 /nfs/dbraw/zinc/52/48/66/346524866.db2.gz DWSWLOBFUMNNTQ-MRVPVSSYSA-N 0 3 197.282 1.090 20 0 ADADHN CCNC(=O)CN(C)C[C@H](C)CC 388298116 346549993 /nfs/dbraw/zinc/54/99/93/346549993.db2.gz MGPAOWOTFVLAQW-SECBINFHSA-N 0 3 186.299 1.100 20 0 ADADHN CCCC(=O)N[C@@H]1CCN(CCC)C1 389402021 346573054 /nfs/dbraw/zinc/57/30/54/346573054.db2.gz PVMIDASPLZSVPW-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCC(=O)N1CCCC[C@@H]1CN(C)C 404975325 346655540 /nfs/dbraw/zinc/65/55/40/346655540.db2.gz YMPRWANXJWOWON-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCC(=O)N1CCCC[C@H]1CN(C)C 404975323 346655625 /nfs/dbraw/zinc/65/56/25/346655625.db2.gz YMPRWANXJWOWON-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 585754973 346762129 /nfs/dbraw/zinc/76/21/29/346762129.db2.gz BLSBMDCRPYBUQX-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN COC(=O)C1(C)CN(C[C@H]2C[C@@H]2C)C1 591839605 346825661 /nfs/dbraw/zinc/82/56/61/346825661.db2.gz SCQCANREQMGPEX-DTWKUNHWSA-N 0 3 197.278 1.137 20 0 ADADHN CC[C@H](C)CN(C)CC(=O)NC1CC1 600685287 346916075 /nfs/dbraw/zinc/91/60/75/346916075.db2.gz WXIODFOHTKENCZ-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN COCCN1CC[C@H](c2ccco2)C1 600684713 346916081 /nfs/dbraw/zinc/91/60/81/346916081.db2.gz KDJHDZYCPMIGFP-JTQLQIEISA-N 0 3 195.262 1.715 20 0 ADADHN CN(Cc1cnn(C)c1)CC1CCC1 600711064 346916086 /nfs/dbraw/zinc/91/60/86/346916086.db2.gz HVUCOQQWTDVKGA-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN CC1(CN2CCOC(C)(C)C2)COC1 605438277 346970816 /nfs/dbraw/zinc/97/08/16/346970816.db2.gz VPEHHEMATPLGIT-UHFFFAOYSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1CN(CC2(C)COC2)[C@@H](C)CO1 605438299 346970831 /nfs/dbraw/zinc/97/08/31/346970831.db2.gz XVKFYTVJRYQKPR-UWVGGRQHSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@H]1CO[C@H](C)CN1CC1(C)COC1 605438305 346970874 /nfs/dbraw/zinc/97/08/74/346970874.db2.gz XVKFYTVJRYQKPR-VHSXEESVSA-N 0 3 199.294 1.132 20 0 ADADHN CCCCNC(=O)CN1CCC[C@@H]1C 607043814 346987244 /nfs/dbraw/zinc/98/72/44/346987244.db2.gz RVWPTGGNHFCRLS-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)N(CC(=O)N(C)C)C1CCC1 607155943 346989538 /nfs/dbraw/zinc/98/95/38/346989538.db2.gz KOAJXOCDMVDGHT-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CCCNC(=O)CN1C[C@H](C)C[C@@H]1C 607155067 346989580 /nfs/dbraw/zinc/98/95/80/346989580.db2.gz IJHNAUDAHVQEPW-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CCCNC(=O)CN1C[C@H](C)C[C@H]1C 607155064 346989677 /nfs/dbraw/zinc/98/96/77/346989677.db2.gz IJHNAUDAHVQEPW-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCNC(=O)CN1[C@@H](C)CC[C@@H]1C 607278405 346990287 /nfs/dbraw/zinc/99/02/87/346990287.db2.gz ZDYLACJMWKRUJQ-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCOCCCN1CCSCC1 607726809 346992542 /nfs/dbraw/zinc/99/25/42/346992542.db2.gz PZPCGEZEPBWKKR-UHFFFAOYSA-N 0 3 189.324 1.462 20 0 ADADHN CCCNC(=O)CN1C[C@@H](C)C[C@H]1C 607155066 346989480 /nfs/dbraw/zinc/98/94/80/346989480.db2.gz IJHNAUDAHVQEPW-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CCO)[C@@H](C)c1ccncc1 608498154 347007078 /nfs/dbraw/zinc/00/70/78/347007078.db2.gz MYRZESDPWWXBKU-JTQLQIEISA-N 0 3 194.278 1.457 20 0 ADADHN CCN(CC)C(=O)CN(C)C1CCC1 608500814 347009146 /nfs/dbraw/zinc/00/91/46/347009146.db2.gz NYJMGAFAJIOWRG-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCC[C@@]1(C)CCCN(CC(N)=O)C1 608510843 347009735 /nfs/dbraw/zinc/00/97/35/347009735.db2.gz KYJJZZHMCQLHIP-NSHDSACASA-N 0 3 198.310 1.374 20 0 ADADHN CCNC(=O)CN1C[C@@H](C)C[C@@H]1CC 608752367 347013376 /nfs/dbraw/zinc/01/33/76/347013376.db2.gz XNLSORDIHFHJHL-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN COC(=O)CN1C[C@H](C)CCC[C@@H]1C 610215405 347022839 /nfs/dbraw/zinc/02/28/39/347022839.db2.gz PNYSHYJGJRKMLS-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN CO[C@H](C)CN(C)CCSC 611790187 347042386 /nfs/dbraw/zinc/04/23/86/347042386.db2.gz RZEHSCKSLFQTII-MRVPVSSYSA-N 0 3 177.313 1.316 20 0 ADADHN Cc1ncc(CN(C)CC(C)C)cn1 620937729 347222126 /nfs/dbraw/zinc/22/21/26/347222126.db2.gz XSDUHHHFAIHHIT-UHFFFAOYSA-N 0 3 193.294 1.873 20 0 ADADHN CC(C)CN(C)CC(=O)NCC1CC1 620937650 347222147 /nfs/dbraw/zinc/22/21/47/347222147.db2.gz HTRQZVMEQPXCLG-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@H](c1ccco1)N(C)CCCO 621278862 347224767 /nfs/dbraw/zinc/22/47/67/347224767.db2.gz NHRKXOUMFUZKMH-SECBINFHSA-N 0 3 183.251 1.655 20 0 ADADHN Cc1ncccc1CN1C[C@H]2C[C@H]2C1 628409191 347316907 /nfs/dbraw/zinc/31/69/07/347316907.db2.gz NUHOQUBJJLTTTG-TXEJJXNPSA-N 0 3 188.274 1.842 20 0 ADADHN CCn1cc(CN2C[C@H]3C[C@H]3C2)cn1 628409598 347317008 /nfs/dbraw/zinc/31/70/08/347317008.db2.gz VYXYVXOHQVFLNA-PHIMTYICSA-N 0 3 191.278 1.355 20 0 ADADHN Cc1oncc1-c1ncc(CN)s1 629713293 347357022 /nfs/dbraw/zinc/35/70/22/347357022.db2.gz LILZWLIEYSBHGJ-UHFFFAOYSA-N 0 3 195.247 1.565 20 0 ADADHN CC/C=C\CNCc1ccc(=O)[nH]c1 631150221 347377160 /nfs/dbraw/zinc/37/71/60/347377160.db2.gz NLVNLKGTBIKIRM-ARJAWSKDSA-N 0 3 192.262 1.843 20 0 ADADHN CC(C)N(C)C(=O)[C@@H]1CCCCN1C 635225628 347440312 /nfs/dbraw/zinc/44/03/12/347440312.db2.gz JVQJZCVWTAFGIC-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN CCN[C@H](C)C(=O)N(C)[C@@H](C)C1CC1 637928144 347470410 /nfs/dbraw/zinc/47/04/10/347470410.db2.gz UUKOOTWOQMPSSD-BDAKNGLRSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@H](C)C(=O)N1CC[C@H](C)[C@@H]1C 638040636 347473004 /nfs/dbraw/zinc/47/30/04/347473004.db2.gz PWRNHBGQJVIIFF-AEJSXWLSSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@@H](C)C(=O)NCC1=CCCC1 638427266 347481730 /nfs/dbraw/zinc/48/17/30/347481730.db2.gz YQLAVLIMXFHVRX-VIFPVBQESA-N 0 3 196.294 1.211 20 0 ADADHN CNCC(=O)Nc1csc(C)c1 638994750 347498755 /nfs/dbraw/zinc/49/87/55/347498755.db2.gz SBHGEBMEXBATGC-UHFFFAOYSA-N 0 3 184.264 1.214 20 0 ADADHN Cc1sccc1NC(=O)[C@H](C)N 638978496 347498759 /nfs/dbraw/zinc/49/87/59/347498759.db2.gz FPFXCGRGGURIGA-YFKPBYRVSA-N 0 3 184.264 1.342 20 0 ADADHN CO[C@@](C)(CN[C@H](C)CF)C1CC1 639182454 347504100 /nfs/dbraw/zinc/50/41/00/347504100.db2.gz GBFZYGQAISPTJT-SCZZXKLOSA-N 0 3 189.274 1.749 20 0 ADADHN CCN[C@@H](C)C(=O)N1CC[C@H](CC)C1 638045819 347473740 /nfs/dbraw/zinc/47/37/40/347473740.db2.gz RXOLJPBSXBKNAZ-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H]1CCCN1CCc1cnccn1 639504472 347521281 /nfs/dbraw/zinc/52/12/81/347521281.db2.gz RQZOKVWNZSPPJL-SNVBAGLBSA-N 0 3 191.278 1.503 20 0 ADADHN CC[C@H](O)[C@H]1CCCCN1CC(C)=O 639497546 347521286 /nfs/dbraw/zinc/52/12/86/347521286.db2.gz RZPFNZPPQJMLDJ-MNOVXSKESA-N 0 3 199.294 1.201 20 0 ADADHN C[C@@H]1OCC[C@H]1CN1CC[C@H](F)C1 639664309 347531031 /nfs/dbraw/zinc/53/10/31/347531031.db2.gz UVVDTBVGXPCQBT-GUBZILKMSA-N 0 3 187.258 1.455 20 0 ADADHN C[C@H]1COCCN1C[C@@H]1CCO[C@@H]1C 639659755 347531035 /nfs/dbraw/zinc/53/10/35/347531035.db2.gz OWABEBCUKSQCOI-AXFHLTTASA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCC[C@@H]1CN1CC[C@H](F)C1 639664303 347531038 /nfs/dbraw/zinc/53/10/38/347531038.db2.gz UVVDTBVGXPCQBT-AEJSXWLSSA-N 0 3 187.258 1.455 20 0 ADADHN CCC[C@@H](CN[C@H](C)CF)OC 639183321 347504617 /nfs/dbraw/zinc/50/46/17/347504617.db2.gz RGXUXXXGKDVBSC-BDAKNGLRSA-N 0 3 177.263 1.749 20 0 ADADHN C[C@@H](CF)NCCCc1cnn(C)c1 639183156 347504742 /nfs/dbraw/zinc/50/47/42/347504742.db2.gz POUFAKYZVGUESW-VIFPVBQESA-N 0 3 199.273 1.300 20 0 ADADHN CCC[C@@H](CNC1(C)COC1)OC 639381603 347515006 /nfs/dbraw/zinc/51/50/06/347515006.db2.gz YSRZWCISGQNFGU-VIFPVBQESA-N 0 3 187.283 1.180 20 0 ADADHN CC(C)NC(=O)CN(C(C)C)C1CC1 642094022 347588812 /nfs/dbraw/zinc/58/88/12/347588812.db2.gz KLDMTALHFDGTLX-UHFFFAOYSA-N 0 3 198.310 1.384 20 0 ADADHN CCC(=O)NCCN1CCC[C@@H](C)C1 642568005 347596108 /nfs/dbraw/zinc/59/61/08/347596108.db2.gz DDAQDEJVCDZEPA-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)CCNC(=O)[C@@H]1CCCCN1 19408512 351389626 /nfs/dbraw/zinc/38/96/26/351389626.db2.gz MFGXGMDZQMNBSK-JTQLQIEISA-N 0 3 198.310 1.291 20 0 ADADHN C[C@H]1CN(CC2CCC2)CCC1=O 49693705 351548904 /nfs/dbraw/zinc/54/89/04/351548904.db2.gz LVXSUBDHVVPPAN-VIFPVBQESA-N 0 3 181.279 1.697 20 0 ADADHN Fc1cncc(CNC2CC2)c1 69049577 351597507 /nfs/dbraw/zinc/59/75/07/351597507.db2.gz TWHVWUBJPKFFNC-UHFFFAOYSA-N 0 3 166.199 1.473 20 0 ADADHN C[C@@H]1CSC[C@@H]1NCc1ccno1 306379408 351924285 /nfs/dbraw/zinc/92/42/85/351924285.db2.gz PSWSDRGIRTWTKS-APPZFPTMSA-N 0 3 198.291 1.516 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1Cc1cccs1 306718867 351958747 /nfs/dbraw/zinc/95/87/47/351958747.db2.gz WVASRKMWYSWPPQ-RKDXNWHRSA-N 0 3 197.303 1.703 20 0 ADADHN CC(C)=CCN1CCN(C)C[C@@H]1C 306869958 351970469 /nfs/dbraw/zinc/97/04/69/351970469.db2.gz UNDMAIFDDIVOAY-NSHDSACASA-N 0 3 182.311 1.589 20 0 ADADHN C[C@@H]1CCN(Cc2cnccn2)C1 334566817 352075962 /nfs/dbraw/zinc/07/59/62/352075962.db2.gz VHKBUKSEPCMETD-SECBINFHSA-N 0 3 177.251 1.318 20 0 ADADHN C[C@@H]1COCCN1C[C@@H]1CCCOC1 335748078 352111690 /nfs/dbraw/zinc/11/16/90/352111690.db2.gz JGXFVJIMSYFAKC-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN C/C(Cl)=C\CN1C[C@H](O)C[C@@H]1C 528433915 352178808 /nfs/dbraw/zinc/17/88/08/352178808.db2.gz SAPFFFYPLZHHIL-GPEYXKODSA-N 0 3 189.686 1.584 20 0 ADADHN CC[C@H](C)C(=O)NCCN1CCCC1 643610576 353004977 /nfs/dbraw/zinc/00/49/77/353004977.db2.gz LTWZMBSFLLAAPZ-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN COCCN[C@@H](C)c1cncnc1C 655684382 409413702 /nfs/dbraw/zinc/41/37/02/409413702.db2.gz QLOPPQKTEOLJLJ-QMMMGPOBSA-N 0 3 195.266 1.082 20 0 ADADHN C[C@H](O)CN(C)[C@H](C)c1ccco1 656420673 409428777 /nfs/dbraw/zinc/42/87/77/409428777.db2.gz FCBCHTXMNPFROT-DTWKUNHWSA-N 0 3 183.251 1.653 20 0 ADADHN CCC[C@H]1CCCCN1C(=O)CNC 213041214 409512186 /nfs/dbraw/zinc/51/21/86/409512186.db2.gz FHJFYQWGHCMSMC-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@@H](N)C(=O)N(C)C[C@@H]1CC1(C)C 662991628 409767753 /nfs/dbraw/zinc/76/77/53/409767753.db2.gz WFANJFNYDPULEE-DTWKUNHWSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)[C@@H](N)C(=O)NC[C@H](C)C1CC1 133003455 409491846 /nfs/dbraw/zinc/49/18/46/409491846.db2.gz ZSXAESLMNHPHSG-WCBMZHEXSA-N 0 3 198.310 1.132 20 0 ADADHN CO[C@@]1(C)C[C@H]1NCc1cc[nH]c1 657788203 409494245 /nfs/dbraw/zinc/49/42/45/409494245.db2.gz KMESPTDZMNERJH-ZJUUUORDSA-N 0 3 180.251 1.282 20 0 ADADHN Cc1occc1CN(C)CC[C@@H](C)O 134002778 409498711 /nfs/dbraw/zinc/49/87/11/409498711.db2.gz GTVWSVJCHLGQQL-SECBINFHSA-N 0 3 197.278 1.791 20 0 ADADHN c1ccc2c(c1)CC1(CNCCO1)C2 83471207 325608477 /nfs/dbraw/zinc/60/84/77/325608477.db2.gz NOYACTNJXUXRIF-UHFFFAOYSA-N 0 3 189.258 1.144 20 0 ADADHN COc1ccc([C@H](N)CF)cc1F 107132505 325618982 /nfs/dbraw/zinc/61/89/82/325618982.db2.gz XHCYEDLEHIOKSH-MRVPVSSYSA-N 0 3 187.189 1.804 20 0 ADADHN NC[C@@H](F)c1ccccc1F 107275228 325619433 /nfs/dbraw/zinc/61/94/33/325619433.db2.gz RZXPMHXTQIOYTQ-MRVPVSSYSA-N 0 3 157.163 1.795 20 0 ADADHN NC[C@H](F)c1ccccc1F 107275231 325619548 /nfs/dbraw/zinc/61/95/48/325619548.db2.gz RZXPMHXTQIOYTQ-QMMMGPOBSA-N 0 3 157.163 1.795 20 0 ADADHN Cc1cccc([C@@H](F)CN)c1 108282494 325620311 /nfs/dbraw/zinc/62/03/11/325620311.db2.gz UTLXPZAHMLHOSV-VIFPVBQESA-N 0 3 153.200 1.964 20 0 ADADHN COc1cccc([C@H](F)CN)c1 108287893 325620318 /nfs/dbraw/zinc/62/03/18/325620318.db2.gz GGZKGVDJHHOBHC-SECBINFHSA-N 0 3 169.199 1.665 20 0 ADADHN Cc1ccccc1[C@H](F)CN 108282499 325620413 /nfs/dbraw/zinc/62/04/13/325620413.db2.gz CPXBSWFTROPAOS-SECBINFHSA-N 0 3 153.200 1.964 20 0 ADADHN COc1cccc([C@@H](F)CN)c1 108287896 325620416 /nfs/dbraw/zinc/62/04/16/325620416.db2.gz GGZKGVDJHHOBHC-VIFPVBQESA-N 0 3 169.199 1.665 20 0 ADADHN Cc1ccc([C@@H](F)CN)cc1 108282508 325620486 /nfs/dbraw/zinc/62/04/86/325620486.db2.gz LWWNWFUGCJMPQN-VIFPVBQESA-N 0 3 153.200 1.964 20 0 ADADHN Cc1ccccc1[C@@H](F)CN 108282502 325620520 /nfs/dbraw/zinc/62/05/20/325620520.db2.gz CPXBSWFTROPAOS-VIFPVBQESA-N 0 3 153.200 1.964 20 0 ADADHN CCCNCc1ccc(F)cn1 129955286 325622796 /nfs/dbraw/zinc/62/27/96/325622796.db2.gz JCPNFMMMHPEKBT-UHFFFAOYSA-N 0 3 168.215 1.720 20 0 ADADHN Fc1ccc(CNC2CC2)nc1 129955527 325622896 /nfs/dbraw/zinc/62/28/96/325622896.db2.gz MWLQYBOUTYMUJI-UHFFFAOYSA-N 0 3 166.199 1.473 20 0 ADADHN NC1(c2ncc[nH]2)CCC2(CC2)CC1 521401325 325645807 /nfs/dbraw/zinc/64/58/07/325645807.db2.gz JVWKFNZCUZKTKL-UHFFFAOYSA-N 0 3 191.278 1.918 20 0 ADADHN CC[C@@H]1CCC[C@@]1(N)c1ncc[nH]1 521402243 325646353 /nfs/dbraw/zinc/64/63/53/325646353.db2.gz YWHZQVHOHOVDIN-SCZZXKLOSA-N 0 3 179.267 1.774 20 0 ADADHN CC[C@@H]1CCC[C@]1(N)c1ncc[nH]1 521402242 325646358 /nfs/dbraw/zinc/64/63/58/325646358.db2.gz YWHZQVHOHOVDIN-PSASIEDQSA-N 0 3 179.267 1.774 20 0 ADADHN Cc1cc(CN2CCCC2)ccn1 527532627 325647083 /nfs/dbraw/zinc/64/70/83/325647083.db2.gz JWPURTZCARHRAE-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN Cn1cnc(CNCC2CC=CC2)c1 527745257 325649657 /nfs/dbraw/zinc/64/96/57/325649657.db2.gz QYHLPPCNQHMBKA-UHFFFAOYSA-N 0 3 191.278 1.476 20 0 ADADHN Cn1ccc(CNCC2CC=CC2)n1 527750001 325649820 /nfs/dbraw/zinc/64/98/20/325649820.db2.gz CCPZUXXWEDATOH-UHFFFAOYSA-N 0 3 191.278 1.476 20 0 ADADHN FC1(CNCC23CC(CO2)C3)CC1 527789404 325650361 /nfs/dbraw/zinc/65/03/61/325650361.db2.gz KREKGNNGBPROHA-UHFFFAOYSA-N 0 3 185.242 1.257 20 0 ADADHN C/C(Cl)=C\CN[C@@H]1CCO[C@@H]1C 528511310 325659148 /nfs/dbraw/zinc/65/91/48/325659148.db2.gz FEJZOHQXQKBDMB-FWZCLXCUSA-N 0 3 189.686 1.896 20 0 ADADHN CO[C@@H](C)CNCc1ccc(F)cn1 529555278 325661721 /nfs/dbraw/zinc/66/17/21/325661721.db2.gz KKJUFFXFDSFZGL-QMMMGPOBSA-N 0 3 198.241 1.345 20 0 ADADHN CC[C@@H](CO)NCc1ccc(F)cn1 529531669 325661747 /nfs/dbraw/zinc/66/17/47/325661747.db2.gz HCQQNOBRNVXZJI-VIFPVBQESA-N 0 3 198.241 1.081 20 0 ADADHN CC[C@H](CO)NCc1ccc(F)cn1 529531668 325661877 /nfs/dbraw/zinc/66/18/77/325661877.db2.gz HCQQNOBRNVXZJI-SECBINFHSA-N 0 3 198.241 1.081 20 0 ADADHN CC(C)n1[nH]c(=O)c2c1CNC[C@@H]2C 536952164 325668507 /nfs/dbraw/zinc/66/85/07/325668507.db2.gz BAEUSJMDNNKUIL-ZETCQYMHSA-N 0 3 195.266 1.376 20 0 ADADHN Nc1ccc2c(c1)[C@H](N)[C@H](F)CC2 536952786 325668707 /nfs/dbraw/zinc/66/87/07/325668707.db2.gz FVSYAHACUIHTFB-ZJUUUORDSA-N 0 3 180.226 1.553 20 0 ADADHN COc1ccc2c(c1)CC[C@H](F)[C@@H]2N 536952807 325668738 /nfs/dbraw/zinc/66/87/38/325668738.db2.gz FXYKDTFTGOPDHE-WDEREUQCSA-N 0 3 195.237 1.979 20 0 ADADHN COc1ccc2c(c1)CC[C@@H](F)[C@@H]2N 536952787 325668782 /nfs/dbraw/zinc/66/87/82/325668782.db2.gz FXYKDTFTGOPDHE-GHMZBOCLSA-N 0 3 195.237 1.979 20 0 ADADHN Nc1ccc2c(c1)[C@H](N)[C@@H](F)CC2 536952782 325668785 /nfs/dbraw/zinc/66/87/85/325668785.db2.gz FVSYAHACUIHTFB-UWVGGRQHSA-N 0 3 180.226 1.553 20 0 ADADHN COc1ccc2c(c1)CC[C@H](F)[C@H]2N 536952805 325668798 /nfs/dbraw/zinc/66/87/98/325668798.db2.gz FXYKDTFTGOPDHE-QWRGUYRKSA-N 0 3 195.237 1.979 20 0 ADADHN Nc1ccc2c(c1)[C@@H](N)[C@@H](F)CC2 536952784 325668806 /nfs/dbraw/zinc/66/88/06/325668806.db2.gz FVSYAHACUIHTFB-VHSXEESVSA-N 0 3 180.226 1.553 20 0 ADADHN COc1ccc2c(c1)CC[C@@H](F)[C@H]2N 536952804 325668856 /nfs/dbraw/zinc/66/88/56/325668856.db2.gz FXYKDTFTGOPDHE-MNOVXSKESA-N 0 3 195.237 1.979 20 0 ADADHN c1cc2c(c(OC3CC3)c1)CNC2 536955215 325670760 /nfs/dbraw/zinc/67/07/60/325670760.db2.gz VLPOTOVSXIUSBR-UHFFFAOYSA-N 0 3 175.231 1.831 20 0 ADADHN N[C@]1(c2ccccc2F)C[C@H](O)C1 536957147 325671838 /nfs/dbraw/zinc/67/18/38/325671838.db2.gz CAUMHWRINTWOCW-WKFQBHICSA-N 0 3 181.210 1.134 20 0 ADADHN CCC(N)(CC)c1cc(C)no1 536960331 325673731 /nfs/dbraw/zinc/67/37/31/325673731.db2.gz ZRBGPDIGQDAPPZ-UHFFFAOYSA-N 0 3 168.240 1.957 20 0 ADADHN Cc1ccc(F)c([C@]2(N)C[C@@H](O)C2)c1 536960703 325673824 /nfs/dbraw/zinc/67/38/24/325673824.db2.gz RSZSIFHLTXZCST-DKTWLAJQSA-N 0 3 195.237 1.443 20 0 ADADHN N[C@]1(c2cccc(F)c2)C[C@H](O)C1 536960902 325673996 /nfs/dbraw/zinc/67/39/96/325673996.db2.gz SNMUJTKGJNKYNC-AOOOYVTPSA-N 0 3 181.210 1.134 20 0 ADADHN N[C@]1(c2cc(F)cc(F)c2)C[C@H](O)C1 536961401 325674016 /nfs/dbraw/zinc/67/40/16/325674016.db2.gz XUXDORPACCCLKX-AOOOYVTPSA-N 0 3 199.200 1.274 20 0 ADADHN Cc1ccc([C@H](N)CCO)s1 2530260 342974777 /nfs/dbraw/zinc/97/47/77/342974777.db2.gz DOKNARALGPKJCL-SSDOTTSWSA-N 0 3 171.265 1.439 20 0 ADADHN CC[C@H](CO)N1Cc2ccccc2C1 4262311 342989788 /nfs/dbraw/zinc/98/97/88/342989788.db2.gz OGAAQVONYOTBGB-GFCCVEGCSA-N 0 3 191.274 1.773 20 0 in-vitro ADADHN Cc1cc2nc(N)n(C)c2cc1C 5160409 342999156 /nfs/dbraw/zinc/99/91/56/342999156.db2.gz ZCVNFMSBCOIFOK-UHFFFAOYSA-N 0 3 175.235 1.772 20 0 ADADHN CCCN(CCC)CN1CCCC1=O 7262241 343017098 /nfs/dbraw/zinc/01/70/98/343017098.db2.gz SRELPSJQWFCMGN-UHFFFAOYSA-N 0 3 198.310 1.688 20 0 ADADHN CC(C)[C@@H](N)c1nccs1 11631779 343023427 /nfs/dbraw/zinc/02/34/27/343023427.db2.gz VTMMLMUSFHMBLX-ZCFIWIBFSA-N 0 3 156.254 1.799 20 0 ADADHN Cc1nn(C(C)C)cc1CN 11920554 343026530 /nfs/dbraw/zinc/02/65/30/343026530.db2.gz SRZBTNYOFYINKL-UHFFFAOYSA-N 0 3 153.229 1.231 20 0 ADADHN CC1CCC2(CC1)COCCN2 11950393 343027298 /nfs/dbraw/zinc/02/72/98/343027298.db2.gz DVLJJKWPSYQBCL-UHFFFAOYSA-N 0 3 169.268 1.555 20 0 ADADHN CCc1ccc(NC(=O)[C@H](C)N)cc1 11957624 343027513 /nfs/dbraw/zinc/02/75/13/343027513.db2.gz MSBANVTYAODCQH-QMMMGPOBSA-N 0 3 192.262 1.535 20 0 ADADHN Cc1cc(C)cc(NC(=O)[C@H](C)N)c1 11957612 343027592 /nfs/dbraw/zinc/02/75/92/343027592.db2.gz HDMGAWAVSDMCJJ-VIFPVBQESA-N 0 3 192.262 1.589 20 0 ADADHN CCCCCNC(=O)[C@@H](N)C(C)C 11958955 343027616 /nfs/dbraw/zinc/02/76/16/343027616.db2.gz SUTSAQQAAAJVCA-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN Cc1ccc(NC(=O)[C@H](C)N)cc1C 11957605 343027626 /nfs/dbraw/zinc/02/76/26/343027626.db2.gz RKHFMCLQYHYSQF-VIFPVBQESA-N 0 3 192.262 1.589 20 0 ADADHN C[C@H](N)C(=O)Nc1ccccc1Cl 11957663 343027713 /nfs/dbraw/zinc/02/77/13/343027713.db2.gz VRPXYDLVWZJFBV-LURJTMIESA-N 0 3 198.653 1.626 20 0 ADADHN C[C@H](N)C(=O)Nc1cccc(Cl)c1 11957669 343027731 /nfs/dbraw/zinc/02/77/31/343027731.db2.gz FSAOZGHRBAKTRP-LURJTMIESA-N 0 3 198.653 1.626 20 0 ADADHN C[C@H](N)C(=O)NC1CCCCCC1 11957987 343027842 /nfs/dbraw/zinc/02/78/42/343027842.db2.gz HAJOFPXCCZBOFS-QMMMGPOBSA-N 0 3 184.283 1.173 20 0 ADADHN CCCCNC(=O)[C@@H](N)[C@H](C)CC 11959206 343027856 /nfs/dbraw/zinc/02/78/56/343027856.db2.gz ZCLXOGKYLYWKDL-BDAKNGLRSA-N 0 3 186.299 1.276 20 0 ADADHN Cc1ccc(NC(=O)[C@H](C)N)c(C)c1 11957602 343027866 /nfs/dbraw/zinc/02/78/66/343027866.db2.gz FMGZKIABODMQBF-VIFPVBQESA-N 0 3 192.262 1.589 20 0 ADADHN CCc1ccccc1NC(=O)[C@H](C)N 11957617 343027875 /nfs/dbraw/zinc/02/78/75/343027875.db2.gz SPNBOUOUZVIYKM-QMMMGPOBSA-N 0 3 192.262 1.535 20 0 ADADHN Cc1ccc(C)c(NC(=O)[C@H](C)N)c1 11958010 343027884 /nfs/dbraw/zinc/02/78/84/343027884.db2.gz YRCWOGRZXGQMJT-VIFPVBQESA-N 0 3 192.262 1.589 20 0 ADADHN C[C@H](N)C(=O)Nc1cccc(F)c1 11958048 343027921 /nfs/dbraw/zinc/02/79/21/343027921.db2.gz VCARXBNLDBFTQE-LURJTMIESA-N 0 3 182.198 1.111 20 0 ADADHN Cc1cccc(NC(=O)[C@H](C)N)c1C 11958013 343027926 /nfs/dbraw/zinc/02/79/26/343027926.db2.gz VMDRWHBKASWDPY-VIFPVBQESA-N 0 3 192.262 1.589 20 0 ADADHN CN(CC(N)=O)C1CCCCCC1 12945629 343032397 /nfs/dbraw/zinc/03/23/97/343032397.db2.gz JYWJNKUBGAXBNA-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN CN(C)Cc1ccc2c(c1)OCO2 13481872 343035070 /nfs/dbraw/zinc/03/50/70/343035070.db2.gz JXVLEYPOHIIQMA-UHFFFAOYSA-N 0 3 179.219 1.477 20 0 ADADHN CCc1noc(C2=CCCNC2)n1 13820914 343037935 /nfs/dbraw/zinc/03/79/35/343037935.db2.gz BAWNZJYQQFMPDY-UHFFFAOYSA-N 0 3 179.223 1.009 20 0 ADADHN CC(C)[C@H](N)C(=O)Nc1ccncc1 15445993 343042179 /nfs/dbraw/zinc/04/21/79/343042179.db2.gz GALLBOFDNZNZSB-VIFPVBQESA-N 0 3 193.250 1.003 20 0 ADADHN CC(C)[C@@H](N)C(=O)Nc1ccncc1 15445991 343042291 /nfs/dbraw/zinc/04/22/91/343042291.db2.gz GALLBOFDNZNZSB-SECBINFHSA-N 0 3 193.250 1.003 20 0 ADADHN CCN1CCOC[C@@H]1C1CC1 17918898 343047307 /nfs/dbraw/zinc/04/73/07/343047307.db2.gz RBBBXRKOXXVIAZ-SECBINFHSA-N 0 3 155.241 1.117 20 0 ADADHN CCCCCNC(=O)[C@@H]1CCCCN1 19411205 343054330 /nfs/dbraw/zinc/05/43/30/343054330.db2.gz VZSNVSBKUQSGJW-JTQLQIEISA-N 0 3 198.310 1.435 20 0 ADADHN CCc1ccc(NC(=O)[C@@H](C)N)cc1 19431373 343054966 /nfs/dbraw/zinc/05/49/66/343054966.db2.gz MSBANVTYAODCQH-MRVPVSSYSA-N 0 3 192.262 1.535 20 0 ADADHN CNCC(=O)Nc1ccc(F)cc1C 19431224 343055025 /nfs/dbraw/zinc/05/50/25/343055025.db2.gz ILOIRRRPIWJWDT-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN CCc1cccc(NC(=O)[C@@H](C)N)c1 19475001 343055478 /nfs/dbraw/zinc/05/54/78/343055478.db2.gz HDXIVNUEISVUDR-MRVPVSSYSA-N 0 3 192.262 1.535 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C 19442346 343055530 /nfs/dbraw/zinc/05/55/30/343055530.db2.gz APCLYSZDABRHMF-CIUDSAMLSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1ccc(NC(=O)[C@@H](C)N)cc1C 19441952 343055616 /nfs/dbraw/zinc/05/56/16/343055616.db2.gz RKHFMCLQYHYSQF-SECBINFHSA-N 0 3 192.262 1.589 20 0 ADADHN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N 19442344 343055621 /nfs/dbraw/zinc/05/56/21/343055621.db2.gz APCLYSZDABRHMF-YIZRAAEISA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N 19442340 343055780 /nfs/dbraw/zinc/05/57/80/343055780.db2.gz APCLYSZDABRHMF-DJLDLDEBSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C 19442342 343055853 /nfs/dbraw/zinc/05/58/53/343055853.db2.gz APCLYSZDABRHMF-XHNCKOQMSA-N 0 3 184.283 1.029 20 0 ADADHN CCCCCNC(=O)[C@H](N)C(C)C 19482314 343056102 /nfs/dbraw/zinc/05/61/02/343056102.db2.gz SUTSAQQAAAJVCA-SECBINFHSA-N 0 3 186.299 1.276 20 0 ADADHN CC1CCC(NC(=O)[C@H](C)N)CC1 19486677 343056275 /nfs/dbraw/zinc/05/62/75/343056275.db2.gz JPXIPKRJGQXLAB-MGURRDGZSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1ccc(C)c(NC(=O)[C@@H](C)N)c1 19482937 343056426 /nfs/dbraw/zinc/05/64/26/343056426.db2.gz YRCWOGRZXGQMJT-SECBINFHSA-N 0 3 192.262 1.589 20 0 ADADHN CC1CCC(NC(=O)[C@@H](C)N)CC1 19486675 343056434 /nfs/dbraw/zinc/05/64/34/343056434.db2.gz JPXIPKRJGQXLAB-QJAFJHJLSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1ccc(NC(=O)[C@@H](C)N)c(C)c1 19504370 343056640 /nfs/dbraw/zinc/05/66/40/343056640.db2.gz FMGZKIABODMQBF-SECBINFHSA-N 0 3 192.262 1.589 20 0 ADADHN CCc1ccccc1NC(=O)[C@@H](C)N 19509459 343056742 /nfs/dbraw/zinc/05/67/42/343056742.db2.gz SPNBOUOUZVIYKM-MRVPVSSYSA-N 0 3 192.262 1.535 20 0 ADADHN Cc1ccc(NC(=O)[C@H](C)N)cc1F 19514366 343057126 /nfs/dbraw/zinc/05/71/26/343057126.db2.gz ZPQRFEUOQGQGQK-ZETCQYMHSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1cccc(NC(=O)[C@@H](C)N)c1C 19513005 343057133 /nfs/dbraw/zinc/05/71/33/343057133.db2.gz VMDRWHBKASWDPY-SECBINFHSA-N 0 3 192.262 1.589 20 0 ADADHN CCCCCNC(=O)C(C)(C)N 19672500 343057965 /nfs/dbraw/zinc/05/79/65/343057965.db2.gz WLSPGPBSSONZOK-UHFFFAOYSA-N 0 3 172.272 1.030 20 0 ADADHN Cc1csc(NC(=O)C(C)(C)N)n1 19672674 343058135 /nfs/dbraw/zinc/05/81/35/343058135.db2.gz LIYGDZCPRUKNLK-UHFFFAOYSA-N 0 3 199.279 1.127 20 0 ADADHN CN(C(=O)C(C)(C)N)c1ccccc1 19672524 343058222 /nfs/dbraw/zinc/05/82/22/343058222.db2.gz DYRVVDSTWOZOHI-UHFFFAOYSA-N 0 3 192.262 1.387 20 0 ADADHN CCC(=O)c1ccc(CN)cc1 19779666 343060247 /nfs/dbraw/zinc/06/02/47/343060247.db2.gz OVZIBEZHXZLITQ-UHFFFAOYSA-N 0 3 163.220 1.738 20 0 ADADHN CC(C)NCC(=O)NC1CCCC1 19817280 343061222 /nfs/dbraw/zinc/06/12/22/343061222.db2.gz QPISWMSWIJZSTB-UHFFFAOYSA-N 0 3 184.283 1.043 20 0 ADADHN CC(C)NCC(=O)NC1CCCCC1 19817284 343061554 /nfs/dbraw/zinc/06/15/54/343061554.db2.gz YYWGTXOMGZLKAG-UHFFFAOYSA-N 0 3 198.310 1.433 20 0 ADADHN CNC(=O)CN[C@@H](C)c1ccccc1 20035426 343066397 /nfs/dbraw/zinc/06/63/97/343066397.db2.gz HSJYRTLJIRNQMP-VIFPVBQESA-N 0 3 192.262 1.083 20 0 ADADHN CCCNCc1cn2ccccc2n1 20056602 343066637 /nfs/dbraw/zinc/06/66/37/343066637.db2.gz LRBIZYLCESTJRX-UHFFFAOYSA-N 0 3 189.262 1.834 20 0 ADADHN CN(C)C(C)(C)CNCc1ccco1 20125712 343067877 /nfs/dbraw/zinc/06/78/77/343067877.db2.gz DYQFJBOEDLELPE-UHFFFAOYSA-N 0 3 196.294 1.709 20 0 ADADHN CC[C@@H](CO)NCc1ccc(C)o1 20194599 343068394 /nfs/dbraw/zinc/06/83/94/343068394.db2.gz CHVUKBRHOSKCJD-VIFPVBQESA-N 0 3 183.251 1.449 20 0 ADADHN Cc1ccc([C@H](C)NCCCO)o1 20188012 343068447 /nfs/dbraw/zinc/06/84/47/343068447.db2.gz QAEQVKOQIZBTKE-VIFPVBQESA-N 0 3 183.251 1.621 20 0 ADADHN C[C@H](NCCCO)c1ccccc1F 20187972 343068455 /nfs/dbraw/zinc/06/84/55/343068455.db2.gz FTLFNWDEXAQGCK-VIFPVBQESA-N 0 3 197.253 1.859 20 0 ADADHN CC[C@H](CO)NCc1ccc(C)o1 20194602 343068495 /nfs/dbraw/zinc/06/84/95/343068495.db2.gz CHVUKBRHOSKCJD-SECBINFHSA-N 0 3 183.251 1.449 20 0 ADADHN C[C@H](NCCCO)c1ccco1 20187992 343068556 /nfs/dbraw/zinc/06/85/56/343068556.db2.gz FLFMEPILQDFHFR-QMMMGPOBSA-N 0 3 169.224 1.313 20 0 ADADHN CC[C@H](CO)NCc1cccc(F)c1 20194430 343068592 /nfs/dbraw/zinc/06/85/92/343068592.db2.gz LLOYHEOFYMLHJT-LLVKDONJSA-N 0 3 197.253 1.686 20 0 ADADHN Cc1ccc([C@@H](C)NCCCO)o1 20188010 343068633 /nfs/dbraw/zinc/06/86/33/343068633.db2.gz QAEQVKOQIZBTKE-SECBINFHSA-N 0 3 183.251 1.621 20 0 ADADHN C[C@H](NCCCO)c1cccc(F)c1 20188320 343068686 /nfs/dbraw/zinc/06/86/86/343068686.db2.gz JEZSFZUOQCSMHA-VIFPVBQESA-N 0 3 197.253 1.859 20 0 ADADHN CC[C@@H](CO)NCc1cccc(F)c1 20194427 343068725 /nfs/dbraw/zinc/06/87/25/343068725.db2.gz LLOYHEOFYMLHJT-NSHDSACASA-N 0 3 197.253 1.686 20 0 ADADHN CC[C@@H](CO)N[C@@H](C)c1ccco1 20195101 343068950 /nfs/dbraw/zinc/06/89/50/343068950.db2.gz RCBGZTUIIFSZIX-IUCAKERBSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@H](CO)N[C@H](C)c1ccco1 20195110 343068986 /nfs/dbraw/zinc/06/89/86/343068986.db2.gz RCBGZTUIIFSZIX-RKDXNWHRSA-N 0 3 183.251 1.701 20 0 ADADHN CC[C@H](CO)NCc1cccc(O)c1 20195662 343069093 /nfs/dbraw/zinc/06/90/93/343069093.db2.gz XWBBJUNSPXQXPL-SNVBAGLBSA-N 0 3 195.262 1.253 20 0 ADADHN Cc1ccc(CNC(C)(C)CO)o1 20196291 343069149 /nfs/dbraw/zinc/06/91/49/343069149.db2.gz VQDJSMCMOMGCGU-UHFFFAOYSA-N 0 3 183.251 1.449 20 0 ADADHN Cc1csc(CNCC2CC2)n1 20216501 343069374 /nfs/dbraw/zinc/06/93/74/343069374.db2.gz UVOHTRMZMXULDI-UHFFFAOYSA-N 0 3 182.292 1.951 20 0 ADADHN C[C@H](NCc1ccco1)[C@@H]1CCCO1 20205918 343069420 /nfs/dbraw/zinc/06/94/20/343069420.db2.gz BQYFQUGTRPWNBK-ONGXEEELSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H]1CNCC2(CCCC2)O1 20262976 343070250 /nfs/dbraw/zinc/07/02/50/343070250.db2.gz UTVSZYNMYJKCEY-QMMMGPOBSA-N 0 3 155.241 1.308 20 0 ADADHN Cc1noc(C)c1CNC(C)C 20252803 343070303 /nfs/dbraw/zinc/07/03/03/343070303.db2.gz IEMDZZOSJLCJNL-UHFFFAOYSA-N 0 3 168.240 1.789 20 0 ADADHN C[C@H](NC1CC1)C(=O)N1CCCCC1 20299954 343071131 /nfs/dbraw/zinc/07/11/31/343071131.db2.gz WZWQUQZFWZNZAG-VIFPVBQESA-N 0 3 196.294 1.139 20 0 ADADHN CNCC(=O)Nc1ccc(C)cc1F 20302316 343071155 /nfs/dbraw/zinc/07/11/55/343071155.db2.gz ULEYZKMCRCHDAH-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN C[C@H](N[C@H](C)c1ccccc1)C(N)=O 20307261 343071615 /nfs/dbraw/zinc/07/16/15/343071615.db2.gz WZGAFOYFEHKZHT-BDAKNGLRSA-N 0 3 192.262 1.211 20 0 ADADHN C[C@H](N[C@@H](C)c1ccccc1)C(N)=O 20307258 343071645 /nfs/dbraw/zinc/07/16/45/343071645.db2.gz WZGAFOYFEHKZHT-IUCAKERBSA-N 0 3 192.262 1.211 20 0 ADADHN C[C@H](N[C@H](C)C(N)=O)c1ccccc1 20307257 343071664 /nfs/dbraw/zinc/07/16/64/343071664.db2.gz WZGAFOYFEHKZHT-DTWKUNHWSA-N 0 3 192.262 1.211 20 0 ADADHN CCN[C@H](C)C(=O)NCCC(C)C 20363980 343072339 /nfs/dbraw/zinc/07/23/39/343072339.db2.gz JOMZWWMRFHJGGC-SECBINFHSA-N 0 3 186.299 1.147 20 0 ADADHN CCN[C@H](C)C(=O)NC(C)(C)CC 20363992 343072496 /nfs/dbraw/zinc/07/24/96/343072496.db2.gz OJBFLPJQKKJBCM-MRVPVSSYSA-N 0 3 186.299 1.289 20 0 ADADHN CNCC(=O)Nc1cc(C)ccc1F 20471948 343073779 /nfs/dbraw/zinc/07/37/79/343073779.db2.gz ZVWXMNDZJLJNHC-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN Cc1ccc(F)c(NC(=O)[C@@H](C)N)c1 20471949 343073901 /nfs/dbraw/zinc/07/39/01/343073901.db2.gz FYXCBJBACVKCSE-SSDOTTSWSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1ccc(F)c(NC(=O)[C@H](C)N)c1 20471950 343074010 /nfs/dbraw/zinc/07/40/10/343074010.db2.gz FYXCBJBACVKCSE-ZETCQYMHSA-N 0 3 196.225 1.420 20 0 ADADHN C[C@H](NCCO)c1cccc(F)c1 20596931 343074580 /nfs/dbraw/zinc/07/45/80/343074580.db2.gz TZNQFQYOIATESF-QMMMGPOBSA-N 0 3 183.226 1.469 20 0 ADADHN CC[C@@H](NCCO)c1ccc(F)cc1 20597039 343074757 /nfs/dbraw/zinc/07/47/57/343074757.db2.gz CEAZEZWYANLAOS-LLVKDONJSA-N 0 3 197.253 1.859 20 0 ADADHN CC[C@H](NCCO)c1ccc(F)cc1 20597040 343074859 /nfs/dbraw/zinc/07/48/59/343074859.db2.gz CEAZEZWYANLAOS-NSHDSACASA-N 0 3 197.253 1.859 20 0 ADADHN C[C@H](NCCO)c1ccccc1F 20597069 343074870 /nfs/dbraw/zinc/07/48/70/343074870.db2.gz IFGXPUINQJUOGJ-QMMMGPOBSA-N 0 3 183.226 1.469 20 0 ADADHN C[C@H](NCCO)c1ccc(Cl)cc1 20597096 343074875 /nfs/dbraw/zinc/07/48/75/343074875.db2.gz PJWPXLSJSPGJEO-QMMMGPOBSA-N 0 3 199.681 1.983 20 0 ADADHN CN(C)CCNc1ccc(Cl)cn1 21815372 343075702 /nfs/dbraw/zinc/07/57/02/343075702.db2.gz SASFPLRUXYONGH-UHFFFAOYSA-N 0 3 199.685 1.709 20 0 ADADHN C[C@H](NC1CC1)c1ccncc1 21968650 343076850 /nfs/dbraw/zinc/07/68/50/343076850.db2.gz UMUZFDMDRNYDNM-QMMMGPOBSA-N 0 3 162.236 1.895 20 0 ADADHN CC(C)N1CCN(C(C)C)CC1 22042568 343078409 /nfs/dbraw/zinc/07/84/09/343078409.db2.gz NZIWCJIMKAWXAQ-UHFFFAOYSA-N 0 3 170.300 1.421 20 0 ADADHN CC[C@@H](NCC(N)=O)c1ccccc1 22148253 343079768 /nfs/dbraw/zinc/07/97/68/343079768.db2.gz YBYRJPIXESBENQ-SNVBAGLBSA-N 0 3 192.262 1.213 20 0 ADADHN CC[C@H](NCC(N)=O)c1ccccc1 22148257 343079770 /nfs/dbraw/zinc/07/97/70/343079770.db2.gz YBYRJPIXESBENQ-JTQLQIEISA-N 0 3 192.262 1.213 20 0 ADADHN CCCNCc1nccn1CC 22861562 343082206 /nfs/dbraw/zinc/08/22/06/343082206.db2.gz WBVQLICVGFZTOJ-UHFFFAOYSA-N 0 3 167.256 1.403 20 0 ADADHN CC(C)NCc1cnc(N(C)C)s1 22862920 343082255 /nfs/dbraw/zinc/08/22/55/343082255.db2.gz MBRJXRNHICWIKG-UHFFFAOYSA-N 0 3 199.323 1.707 20 0 ADADHN CCC(CC)NCc1ncc[nH]1 22861463 343082344 /nfs/dbraw/zinc/08/23/44/343082344.db2.gz VUNIIOGLTYXIHN-UHFFFAOYSA-N 0 3 167.256 1.688 20 0 ADADHN CC[C@H](C)NCc1nccn1CC 22861690 343082382 /nfs/dbraw/zinc/08/23/82/343082382.db2.gz VTWPBGLZIILXDF-VIFPVBQESA-N 0 3 181.283 1.791 20 0 ADADHN CCn1ccnc1CNCC(C)C 22861658 343082443 /nfs/dbraw/zinc/08/24/43/343082443.db2.gz QGZAYGYGHOVHRZ-UHFFFAOYSA-N 0 3 181.283 1.649 20 0 ADADHN CC[C@H](C)NCc1ncc[nH]1 22861410 343082452 /nfs/dbraw/zinc/08/24/52/343082452.db2.gz COVUXBAGPYPNIL-ZETCQYMHSA-N 0 3 153.229 1.298 20 0 ADADHN CCn1ccnc1CNCCCOC 22861787 343082473 /nfs/dbraw/zinc/08/24/73/343082473.db2.gz OMZZUHDBCANKNV-UHFFFAOYSA-N 0 3 197.282 1.029 20 0 ADADHN CCCCNCc1ncc[nH]1 22861386 343082476 /nfs/dbraw/zinc/08/24/76/343082476.db2.gz QCGJPVYQTXXZPO-UHFFFAOYSA-N 0 3 153.229 1.299 20 0 ADADHN CCCNCc1nccs1 22861706 343082506 /nfs/dbraw/zinc/08/25/06/343082506.db2.gz NYVWIKVRJLUNHG-UHFFFAOYSA-N 0 3 156.254 1.643 20 0 ADADHN OCc1cnc2cc[nH]cc1-2 24780788 343086489 /nfs/dbraw/zinc/08/64/89/343086489.db2.gz JLKDAJJNHSQRCK-UHFFFAOYSA-N 0 3 148.165 1.055 20 0 ADADHN OCc1c[nH]c2ccncc12 24780788 343086491 /nfs/dbraw/zinc/08/64/91/343086491.db2.gz JLKDAJJNHSQRCK-UHFFFAOYSA-N 0 3 148.165 1.055 20 0 ADADHN Cc1ccc(CNCCCCCO)o1 26482999 343088793 /nfs/dbraw/zinc/08/87/93/343088793.db2.gz BHJNTLTVXMCQKB-UHFFFAOYSA-N 0 3 197.278 1.840 20 0 ADADHN Cc1ccc(CNC[C@H](C)O)o1 27910154 343091068 /nfs/dbraw/zinc/09/10/68/343091068.db2.gz CTDPLWGAGDZGNY-ZETCQYMHSA-N 0 3 169.224 1.058 20 0 ADADHN Cc1ccc(CNC[C@@H](C)O)o1 27910149 343091127 /nfs/dbraw/zinc/09/11/27/343091127.db2.gz CTDPLWGAGDZGNY-SSDOTTSWSA-N 0 3 169.224 1.058 20 0 ADADHN CCCN1C[C@H](C)O[C@H](C)C1 31429481 343093294 /nfs/dbraw/zinc/09/32/94/343093294.db2.gz QOXQMYWIODKZRE-DTORHVGOSA-N 0 3 157.257 1.506 20 0 ADADHN C[C@H](O)CN1CCc2ccccc2C1 32008468 343096706 /nfs/dbraw/zinc/09/67/06/343096706.db2.gz BRYRUMXPKITJOF-JTQLQIEISA-N 0 3 191.274 1.426 20 0 ADADHN Cc1cccc2c1OCCNC2 32919035 343103834 /nfs/dbraw/zinc/10/38/34/343103834.db2.gz YPAQLPJMIOXAQF-UHFFFAOYSA-N 0 3 163.220 1.477 20 0 ADADHN C/C=C/CN1CCC1 33840918 343106940 /nfs/dbraw/zinc/10/69/40/343106940.db2.gz WEFPHRCLYYRWCO-NSCUHMNNSA-N 0 3 111.188 1.268 20 0 ADADHN CC1(C)Oc2ccsc2[C@@H](N)[C@H]1O 34076473 343109760 /nfs/dbraw/zinc/10/97/60/343109760.db2.gz XKGVOPVKKXUCIE-HTRCEHHLSA-N 0 3 199.275 1.280 20 0 ADADHN CC1(C)Oc2ccsc2[C@@H](N)[C@@H]1O 34420532 343118895 /nfs/dbraw/zinc/11/88/95/343118895.db2.gz XKGVOPVKKXUCIE-SVRRBLITSA-N 0 3 199.275 1.280 20 0 ADADHN CC1(C)Oc2ccsc2[C@H](N)[C@H]1O 34420534 343118932 /nfs/dbraw/zinc/11/89/32/343118932.db2.gz XKGVOPVKKXUCIE-POYBYMJQSA-N 0 3 199.275 1.280 20 0 ADADHN CN(C)CC[C@@H](O)c1ccsc1 34432636 343119357 /nfs/dbraw/zinc/11/93/57/343119357.db2.gz HKVIPLMMUMBSKB-SECBINFHSA-N 0 3 185.292 1.733 20 0 in-vitro ADADHN Cc1cccc(CN2CCCC2)n1 34474906 343119798 /nfs/dbraw/zinc/11/97/98/343119798.db2.gz UWGGDBZLFAXETC-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CCN1CCC[C@@H](N2CCCC2=O)C1 34490602 343120088 /nfs/dbraw/zinc/12/00/88/343120088.db2.gz QPFIZCJPVXVHDY-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN Cc1cccnc1CN1CCCC1 34491464 343120303 /nfs/dbraw/zinc/12/03/03/343120303.db2.gz OSUGRSGEWQQRPY-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CNCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 34651121 343124270 /nfs/dbraw/zinc/12/42/70/343124270.db2.gz RXJNISQQRDDOIT-OPRDCNLKSA-N 0 3 198.310 1.147 20 0 ADADHN Cc1ccc(CNCCO)c(C)c1 34937269 343125945 /nfs/dbraw/zinc/12/59/45/343125945.db2.gz FEOUGMLYAHWBII-UHFFFAOYSA-N 0 3 179.263 1.385 20 0 ADADHN Cc1cc2ccccn2c1CN 34936154 343126155 /nfs/dbraw/zinc/12/61/55/343126155.db2.gz GWVLCKBWARLAQL-UHFFFAOYSA-N 0 3 160.220 1.706 20 0 ADADHN Cc1ccc([C@H](C)NCCO)o1 34973724 343126661 /nfs/dbraw/zinc/12/66/61/343126661.db2.gz YYSAPFYGIBTHCK-QMMMGPOBSA-N 0 3 169.224 1.231 20 0 ADADHN Cc1ccc([C@@H](C)NCCO)o1 34973722 343126665 /nfs/dbraw/zinc/12/66/65/343126665.db2.gz YYSAPFYGIBTHCK-MRVPVSSYSA-N 0 3 169.224 1.231 20 0 ADADHN C[C@H](NCCO)c1cccs1 34973726 343126695 /nfs/dbraw/zinc/12/66/95/343126695.db2.gz DTZDWMBEOJORIO-ZETCQYMHSA-N 0 3 171.265 1.391 20 0 ADADHN Cc1ccc([C@H](C)NCCO)s1 34973721 343126748 /nfs/dbraw/zinc/12/67/48/343126748.db2.gz GLHBGVYGDXFBJP-QMMMGPOBSA-N 0 3 185.292 1.699 20 0 ADADHN CCCCN(CC)CC(C)=O 34989933 343127051 /nfs/dbraw/zinc/12/70/51/343127051.db2.gz ZDIREMMOZZJMQY-UHFFFAOYSA-N 0 3 157.257 1.697 20 0 ADADHN CC[C@H]1CCCCN1CC(C)=O 34988639 343127137 /nfs/dbraw/zinc/12/71/37/343127137.db2.gz WREONFOUCZOBED-JTQLQIEISA-N 0 3 169.268 1.840 20 0 ADADHN CC[C@@H]1CCCCN1CC(C)=O 34988637 343127221 /nfs/dbraw/zinc/12/72/21/343127221.db2.gz WREONFOUCZOBED-SNVBAGLBSA-N 0 3 169.268 1.840 20 0 ADADHN CCCNCc1ccc(C(=O)OC)o1 34981278 343127227 /nfs/dbraw/zinc/12/72/27/343127227.db2.gz XNOCUQNPRCZSRN-UHFFFAOYSA-N 0 3 197.234 1.566 20 0 ADADHN Cc1ccc(CNCCO)cc1C 34994558 343127267 /nfs/dbraw/zinc/12/72/67/343127267.db2.gz QBNQHBILCUUECW-UHFFFAOYSA-N 0 3 179.263 1.385 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1ccc(F)cc1 35115405 343128245 /nfs/dbraw/zinc/12/82/45/343128245.db2.gz KSCHUPZMMYJXFJ-BDAKNGLRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1ccc(F)cc1 35115403 343128290 /nfs/dbraw/zinc/12/82/90/343128290.db2.gz KSCHUPZMMYJXFJ-IUCAKERBSA-N 0 3 197.253 1.857 20 0 ADADHN CN(CCCO)Cc1ccsc1 35123862 343128337 /nfs/dbraw/zinc/12/83/37/343128337.db2.gz UVJOOCIPDUGEKC-UHFFFAOYSA-N 0 3 185.292 1.562 20 0 ADADHN C[C@H](O)CN[C@H](C)c1ccc(F)cc1 35115407 343128615 /nfs/dbraw/zinc/12/86/15/343128615.db2.gz KSCHUPZMMYJXFJ-DTWKUNHWSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](N[C@H](C)c1cccs1)C(N)=O 35138594 343128770 /nfs/dbraw/zinc/12/87/70/343128770.db2.gz BPKUOBHHVZFCQB-RQJHMYQMSA-N 0 3 198.291 1.273 20 0 ADADHN CNCC(=O)N[C@H](C)c1cccs1 35138192 343128950 /nfs/dbraw/zinc/12/89/50/343128950.db2.gz SRBBCNJODUFATR-SSDOTTSWSA-N 0 3 198.291 1.145 20 0 ADADHN CNCC(=O)N[C@@H](C)c1cccs1 35138190 343129023 /nfs/dbraw/zinc/12/90/23/343129023.db2.gz SRBBCNJODUFATR-ZETCQYMHSA-N 0 3 198.291 1.145 20 0 ADADHN C[C@H](N[C@@H](C)c1cccs1)C(N)=O 35138593 343129074 /nfs/dbraw/zinc/12/90/74/343129074.db2.gz BPKUOBHHVZFCQB-BQBZGAKWSA-N 0 3 198.291 1.273 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccccc1 35180513 343129285 /nfs/dbraw/zinc/12/92/85/343129285.db2.gz CVDGZNXOEUTZSK-VIFPVBQESA-N 0 3 178.235 1.362 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccccc1 35180514 343129316 /nfs/dbraw/zinc/12/93/16/343129316.db2.gz CVDGZNXOEUTZSK-SECBINFHSA-N 0 3 178.235 1.362 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccc(F)cc1 35180517 343129377 /nfs/dbraw/zinc/12/93/77/343129377.db2.gz ABYFGJLTVCBLTC-VIFPVBQESA-N 0 3 196.225 1.502 20 0 ADADHN CC[C@@H](N)C(=O)NCc1ccccc1 35180512 343129402 /nfs/dbraw/zinc/12/94/02/343129402.db2.gz PBFYKXNLPYNWNL-SNVBAGLBSA-N 0 3 192.262 1.040 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccc(F)cc1 35180518 343129442 /nfs/dbraw/zinc/12/94/42/343129442.db2.gz ABYFGJLTVCBLTC-SECBINFHSA-N 0 3 196.225 1.502 20 0 ADADHN C[C@H](CO)NCc1ccc(F)cc1 35188667 343129699 /nfs/dbraw/zinc/12/96/99/343129699.db2.gz WQKKCUHETCEZCK-MRVPVSSYSA-N 0 3 183.226 1.296 20 0 ADADHN C[C@H](CO)NCc1cccs1 35188476 343129951 /nfs/dbraw/zinc/12/99/51/343129951.db2.gz BWQBRKPIYLAZBK-SSDOTTSWSA-N 0 3 171.265 1.219 20 0 ADADHN C[C@H](CO)NCc1ccccc1F 35188474 343129974 /nfs/dbraw/zinc/12/99/74/343129974.db2.gz PNORSBLNQXECTN-MRVPVSSYSA-N 0 3 183.226 1.296 20 0 ADADHN Cc1cc(C)nc(NCCN(C)C)n1 35206284 343130000 /nfs/dbraw/zinc/13/00/00/343130000.db2.gz QBKUAHGJUJLUPK-UHFFFAOYSA-N 0 3 194.282 1.067 20 0 ADADHN CC(C)NCc1cccc2c1OCO2 35403072 343132011 /nfs/dbraw/zinc/13/20/11/343132011.db2.gz WUJRJTAVOQEKKQ-UHFFFAOYSA-N 0 3 193.246 1.913 20 0 ADADHN CCc1ccc(CNCCO)s1 35598623 343133103 /nfs/dbraw/zinc/13/31/03/343133103.db2.gz RTHGFTZGSOGPHC-UHFFFAOYSA-N 0 3 185.292 1.392 20 0 ADADHN Cc1ccc([C@H](C)NC[C@H](C)O)o1 35601932 343133499 /nfs/dbraw/zinc/13/34/99/343133499.db2.gz SKZRBROREABCCA-CBAPKCEASA-N 0 3 183.251 1.619 20 0 ADADHN C[C@H](O)CN[C@H](C)c1cccc(F)c1 35601655 343133540 /nfs/dbraw/zinc/13/35/40/343133540.db2.gz IHIXHAMAZLJOLN-DTWKUNHWSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1cccc(F)c1 35601653 343133546 /nfs/dbraw/zinc/13/35/46/343133546.db2.gz IHIXHAMAZLJOLN-IUCAKERBSA-N 0 3 197.253 1.857 20 0 ADADHN Cc1ccc([C@H](C)NC[C@@H](C)O)o1 35601930 343133565 /nfs/dbraw/zinc/13/35/65/343133565.db2.gz SKZRBROREABCCA-APPZFPTMSA-N 0 3 183.251 1.619 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1ccco1 35601951 343133662 /nfs/dbraw/zinc/13/36/62/343133662.db2.gz RUMHXWNTUYPOKW-YUMQZZPRSA-N 0 3 169.224 1.311 20 0 ADADHN Cc1ccc([C@@H](C)NC[C@@H](C)O)o1 35601929 343133670 /nfs/dbraw/zinc/13/36/70/343133670.db2.gz SKZRBROREABCCA-VXNVDRBHSA-N 0 3 183.251 1.619 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1ccccc1F 35601970 343133750 /nfs/dbraw/zinc/13/37/50/343133750.db2.gz FMOBZUDKUSOXPZ-BDAKNGLRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1ccco1 35601952 343133769 /nfs/dbraw/zinc/13/37/69/343133769.db2.gz RUMHXWNTUYPOKW-SFYZADRCSA-N 0 3 169.224 1.311 20 0 ADADHN Cc1ccc([C@@H](C)NC[C@H](C)O)o1 35601931 343133780 /nfs/dbraw/zinc/13/37/80/343133780.db2.gz SKZRBROREABCCA-IONNQARKSA-N 0 3 183.251 1.619 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1ccccc1F 35601969 343133787 /nfs/dbraw/zinc/13/37/87/343133787.db2.gz FMOBZUDKUSOXPZ-IUCAKERBSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](O)CN[C@H](C)c1ccco1 35601953 343133816 /nfs/dbraw/zinc/13/38/16/343133816.db2.gz RUMHXWNTUYPOKW-JGVFFNPUSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1cccc(F)c1 35601654 343133829 /nfs/dbraw/zinc/13/38/29/343133829.db2.gz IHIXHAMAZLJOLN-BDAKNGLRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](O)CN[C@H](C)c1ccccc1F 35601971 343133859 /nfs/dbraw/zinc/13/38/59/343133859.db2.gz FMOBZUDKUSOXPZ-DTWKUNHWSA-N 0 3 197.253 1.857 20 0 ADADHN Cc1ccc([C@H](C)N[C@@H](C)CO)o1 35603191 343133899 /nfs/dbraw/zinc/13/38/99/343133899.db2.gz RYLHADRJYIJNFG-CBAPKCEASA-N 0 3 183.251 1.619 20 0 ADADHN C[C@H](N[C@H](C)CO)c1ccc(F)cc1 35603263 343133905 /nfs/dbraw/zinc/13/39/05/343133905.db2.gz GSEAMQRUJRNXOX-BDAKNGLRSA-N 0 3 197.253 1.857 20 0 ADADHN Cc1ccc([C@H](C)N[C@H](C)CO)o1 35603195 343133918 /nfs/dbraw/zinc/13/39/18/343133918.db2.gz RYLHADRJYIJNFG-APPZFPTMSA-N 0 3 183.251 1.619 20 0 ADADHN C[C@H](N[C@H](C)CO)c1ccco1 35603232 343133943 /nfs/dbraw/zinc/13/39/43/343133943.db2.gz MLRGNJVSLQQCRN-SFYZADRCSA-N 0 3 169.224 1.311 20 0 ADADHN Cc1ccc([C@@H](C)N[C@@H](C)CO)o1 35603189 343133988 /nfs/dbraw/zinc/13/39/88/343133988.db2.gz RYLHADRJYIJNFG-IONNQARKSA-N 0 3 183.251 1.619 20 0 ADADHN Cc1ccc(CN[C@H](C)CO)o1 35603594 343134011 /nfs/dbraw/zinc/13/40/11/343134011.db2.gz WTINYYSQAZSYGO-SSDOTTSWSA-N 0 3 169.224 1.058 20 0 ADADHN C[C@H](CO)NCc1ccsc1 35603579 343134038 /nfs/dbraw/zinc/13/40/38/343134038.db2.gz SIQVWNSQXVNWAH-SSDOTTSWSA-N 0 3 171.265 1.219 20 0 ADADHN C[C@H](CO)N[C@H](C)c1ccccc1F 35603279 343134061 /nfs/dbraw/zinc/13/40/61/343134061.db2.gz ATTVTBXKZLCIEF-RKDXNWHRSA-N 0 3 197.253 1.857 20 0 ADADHN Cc1ccc([C@@H](C)N[C@H](C)CO)o1 35603193 343134067 /nfs/dbraw/zinc/13/40/67/343134067.db2.gz RYLHADRJYIJNFG-VXNVDRBHSA-N 0 3 183.251 1.619 20 0 ADADHN Cc1ccc(CN[C@@H](C)CO)o1 35603592 343134082 /nfs/dbraw/zinc/13/40/82/343134082.db2.gz WTINYYSQAZSYGO-ZETCQYMHSA-N 0 3 169.224 1.058 20 0 ADADHN C[C@H](CO)N[C@H](C)c1ccco1 35603236 343134138 /nfs/dbraw/zinc/13/41/38/343134138.db2.gz MLRGNJVSLQQCRN-HTQZYQBOSA-N 0 3 169.224 1.311 20 0 ADADHN C[C@H](CO)NCc1cccc(F)c1 35603763 343134162 /nfs/dbraw/zinc/13/41/62/343134162.db2.gz MURVGQDPTLNOPN-MRVPVSSYSA-N 0 3 183.226 1.296 20 0 ADADHN C[C@H](N[C@H](C)CO)c1cccs1 35603303 343134182 /nfs/dbraw/zinc/13/41/82/343134182.db2.gz IUQRVTVPCDMFQD-SFYZADRCSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@H](N[C@H](C)CO)c1ccccc1F 35603275 343134203 /nfs/dbraw/zinc/13/42/03/343134203.db2.gz ATTVTBXKZLCIEF-BDAKNGLRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](CO)NCc1ccc(Cl)cc1 35603821 343134232 /nfs/dbraw/zinc/13/42/32/343134232.db2.gz QUVIULTYTZDFBA-MRVPVSSYSA-N 0 3 199.681 1.810 20 0 ADADHN Cc1ccc(CN[C@H](C)CO)s1 35602400 343134249 /nfs/dbraw/zinc/13/42/49/343134249.db2.gz LFSRFDLCKZDGQV-SSDOTTSWSA-N 0 3 185.292 1.527 20 0 ADADHN C[C@H](CO)N[C@H](C)c1cccs1 35603307 343134262 /nfs/dbraw/zinc/13/42/62/343134262.db2.gz IUQRVTVPCDMFQD-HTQZYQBOSA-N 0 3 185.292 1.780 20 0 ADADHN C[C@H](CO)NCc1cccc(Cl)c1 35602643 343134285 /nfs/dbraw/zinc/13/42/85/343134285.db2.gz VGQRQQCPIIKMFH-MRVPVSSYSA-N 0 3 199.681 1.810 20 0 ADADHN C[C@H](N[C@H](C)CO)c1cccc(F)c1 35602603 343134303 /nfs/dbraw/zinc/13/43/03/343134303.db2.gz SLIIAOMGUCBZMS-BDAKNGLRSA-N 0 3 197.253 1.857 20 0 ADADHN C[C@H](CO)N[C@H](C)c1cccc(F)c1 35602607 343134330 /nfs/dbraw/zinc/13/43/30/343134330.db2.gz SLIIAOMGUCBZMS-RKDXNWHRSA-N 0 3 197.253 1.857 20 0 ADADHN Cc1ccc(CN[C@@H](C)CO)s1 35602399 343134339 /nfs/dbraw/zinc/13/43/39/343134339.db2.gz LFSRFDLCKZDGQV-ZETCQYMHSA-N 0 3 185.292 1.527 20 0 ADADHN C[C@H](CO)N[C@H](C)c1ccc(F)cc1 35603267 343134347 /nfs/dbraw/zinc/13/43/47/343134347.db2.gz GSEAMQRUJRNXOX-RKDXNWHRSA-N 0 3 197.253 1.857 20 0 ADADHN CCc1ccc(CN[C@H](C)CO)s1 35604674 343134509 /nfs/dbraw/zinc/13/45/09/343134509.db2.gz MNXOFYFEJPMNCA-MRVPVSSYSA-N 0 3 199.319 1.781 20 0 ADADHN CCc1ccc(CN[C@@H](C)CO)s1 35604671 343134734 /nfs/dbraw/zinc/13/47/34/343134734.db2.gz MNXOFYFEJPMNCA-QMMMGPOBSA-N 0 3 199.319 1.781 20 0 ADADHN Cc1cc(C)c2c(c1)[C@H](N)CO2 35655035 343136071 /nfs/dbraw/zinc/13/60/71/343136071.db2.gz VRWZZLORJKJBED-SECBINFHSA-N 0 3 163.220 1.696 20 0 ADADHN CCc1ccc2c(c1)[C@H](N)CO2 35654716 343136169 /nfs/dbraw/zinc/13/61/69/343136169.db2.gz OUMMNHSYDWRXCF-SECBINFHSA-N 0 3 163.220 1.641 20 0 ADADHN Cc1cc(C)c2c(c1)[C@@H](N)CO2 35655036 343136205 /nfs/dbraw/zinc/13/62/05/343136205.db2.gz VRWZZLORJKJBED-VIFPVBQESA-N 0 3 163.220 1.696 20 0 ADADHN CCc1ccc2c(c1)[C@@H](N)CO2 35654718 343136233 /nfs/dbraw/zinc/13/62/33/343136233.db2.gz OUMMNHSYDWRXCF-VIFPVBQESA-N 0 3 163.220 1.641 20 0 ADADHN CN(CCCCO)Cc1cccs1 35718168 343137025 /nfs/dbraw/zinc/13/70/25/343137025.db2.gz PAUUBLKQRAJLPR-UHFFFAOYSA-N 0 3 199.319 1.952 20 0 ADADHN Cc1nnc(CNC2CCCC2)n1C 35695762 343137233 /nfs/dbraw/zinc/13/72/33/343137233.db2.gz KXTRXQOHDKRVON-UHFFFAOYSA-N 0 3 194.282 1.156 20 0 ADADHN C[C@H](N)C(=O)N(C)Cc1cccs1 35717462 343137288 /nfs/dbraw/zinc/13/72/88/343137288.db2.gz RYASRQUOZHCNGT-ZETCQYMHSA-N 0 3 198.291 1.054 20 0 ADADHN CN(CCCCO)Cc1ccco1 35716404 343137336 /nfs/dbraw/zinc/13/73/36/343137336.db2.gz LNOHWIHADFRSNX-UHFFFAOYSA-N 0 3 183.251 1.484 20 0 ADADHN C[C@H](N)C(=O)N[C@@H](C)c1cccs1 35736818 343137971 /nfs/dbraw/zinc/13/79/71/343137971.db2.gz WYWMHOBQQDYDDA-BQBZGAKWSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@H](N)C(=O)N[C@H](C)c1cccs1 35736819 343138084 /nfs/dbraw/zinc/13/80/84/343138084.db2.gz WYWMHOBQQDYDDA-NKWVEPMBSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@H](NC(=O)[C@@H](C)N)c1cccs1 35736816 343138149 /nfs/dbraw/zinc/13/81/49/343138149.db2.gz WYWMHOBQQDYDDA-RQJHMYQMSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@H]1C[C@H](N)c2cc(F)ccc2O1 35749550 343138332 /nfs/dbraw/zinc/13/83/32/343138332.db2.gz KQUSNUBHADVPBO-RCOVLWMOSA-N 0 3 181.210 1.997 20 0 ADADHN C[C@H]1C[C@H](N)c2ccccc2O1 35749227 343138399 /nfs/dbraw/zinc/13/83/99/343138399.db2.gz OWEKBOJBEVPIBC-CBAPKCEASA-N 0 3 163.220 1.857 20 0 ADADHN C[C@H]1C[C@@H](N)c2ccccc2O1 35749231 343138535 /nfs/dbraw/zinc/13/85/35/343138535.db2.gz OWEKBOJBEVPIBC-IONNQARKSA-N 0 3 163.220 1.857 20 0 ADADHN CC(C)CC[C@H](C)NC(=O)[C@H](C)N 36135630 343140234 /nfs/dbraw/zinc/14/02/34/343140234.db2.gz YMYHPFDKLOYPKR-IUCAKERBSA-N 0 3 186.299 1.275 20 0 ADADHN CC(C)CC[C@@H](C)NC(=O)[C@@H](C)N 36135625 343140459 /nfs/dbraw/zinc/14/04/59/343140459.db2.gz YMYHPFDKLOYPKR-RKDXNWHRSA-N 0 3 186.299 1.275 20 0 ADADHN CC(C)CC[C@H](C)NC(=O)[C@@H](C)N 36135627 343140521 /nfs/dbraw/zinc/14/05/21/343140521.db2.gz YMYHPFDKLOYPKR-DTWKUNHWSA-N 0 3 186.299 1.275 20 0 ADADHN CCCNCc1cccc2c1OCO2 36167367 343141156 /nfs/dbraw/zinc/14/11/56/343141156.db2.gz FIUJLNMYIHXNKB-UHFFFAOYSA-N 0 3 193.246 1.915 20 0 ADADHN CCC(CC)CN(CC)C(=O)CN 36199818 343141689 /nfs/dbraw/zinc/14/16/89/343141689.db2.gz MFEIUOQCLIZRNV-UHFFFAOYSA-N 0 3 186.299 1.230 20 0 ADADHN CCOCCNCc1ccc(O)cc1 36228587 343142223 /nfs/dbraw/zinc/14/22/23/343142223.db2.gz VSGXPYJJDVENIP-UHFFFAOYSA-N 0 3 195.262 1.518 20 0 ADADHN CCC(=O)Nc1cccc(CNC)c1 36282589 343143521 /nfs/dbraw/zinc/14/35/21/343143521.db2.gz AQNZEGPAIRAGRE-UHFFFAOYSA-N 0 3 192.262 1.755 20 0 ADADHN Cc1ccc(CNC2CCOCC2)o1 36319221 343143782 /nfs/dbraw/zinc/14/37/82/343143782.db2.gz HZWYGZBCMILOBT-UHFFFAOYSA-N 0 3 195.262 1.857 20 0 ADADHN Cc1c[nH]c([C@@H](N)C(C)C)n1 36323854 343144162 /nfs/dbraw/zinc/14/41/62/343144162.db2.gz ZMAFLERHBFUQFP-ZETCQYMHSA-N 0 3 153.229 1.374 20 0 ADADHN CNCC(=O)N(C)C1CCCCCC1 36328582 343144631 /nfs/dbraw/zinc/14/46/31/343144631.db2.gz MYHYNJIGPDOPEX-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CN1CCCN(c2ccccn2)CC1 36438393 343145714 /nfs/dbraw/zinc/14/57/14/343145714.db2.gz NPRDUFDWZCXDEE-UHFFFAOYSA-N 0 3 191.278 1.224 20 0 ADADHN COCCCNCc1c(C)n[nH]c1C 36864727 343150961 /nfs/dbraw/zinc/15/09/61/343150961.db2.gz KKSLPKQBGJXXJE-UHFFFAOYSA-N 0 3 197.282 1.153 20 0 ADADHN CC[C@H](N)C(=O)NC1CCCCC1 36870992 343151025 /nfs/dbraw/zinc/15/10/25/343151025.db2.gz XCMYKYCAALTYGD-VIFPVBQESA-N 0 3 184.283 1.173 20 0 ADADHN CCOCCNCc1c(C)n[nH]c1C 36864878 343151149 /nfs/dbraw/zinc/15/11/49/343151149.db2.gz MSJCSXDMRKJUCQ-UHFFFAOYSA-N 0 3 197.282 1.153 20 0 ADADHN Cc1n[nH]c(C)c1CNC1CC1 36864449 343151265 /nfs/dbraw/zinc/15/12/65/343151265.db2.gz YNAHNFRWZOBEOK-UHFFFAOYSA-N 0 3 165.240 1.279 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccccc1F 36871328 343151398 /nfs/dbraw/zinc/15/13/98/343151398.db2.gz WBIUHTGPGHFMSN-QMMMGPOBSA-N 0 3 196.225 1.502 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccccc1C 36871413 343151407 /nfs/dbraw/zinc/15/14/07/343151407.db2.gz AVQKZTNKUSNTBH-SECBINFHSA-N 0 3 192.262 1.671 20 0 ADADHN CC[C@@H](N)C(=O)Nc1nc(C)cs1 36871411 343151442 /nfs/dbraw/zinc/15/14/42/343151442.db2.gz POSPZSWPPFGUIG-ZCFIWIBFSA-N 0 3 199.279 1.127 20 0 ADADHN CC[C@@H](N)C(=O)NC1CCCCC1 36870993 343151449 /nfs/dbraw/zinc/15/14/49/343151449.db2.gz XCMYKYCAALTYGD-SECBINFHSA-N 0 3 184.283 1.173 20 0 ADADHN CC[C@H]1CCCN(C(=O)[C@@H](N)CC)C1 36871868 343151461 /nfs/dbraw/zinc/15/14/61/343151461.db2.gz IACYXDCFOMVPLV-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N1CCCCCCC1 36871494 343151471 /nfs/dbraw/zinc/15/14/71/343151471.db2.gz XFFXQHFDRZHSJJ-JTQLQIEISA-N 0 3 198.310 1.516 20 0 ADADHN CC[C@H](N)C(=O)NC1CCCCCC1 36871575 343151485 /nfs/dbraw/zinc/15/14/85/343151485.db2.gz BQLRDKUHRNMOPI-JTQLQIEISA-N 0 3 198.310 1.563 20 0 ADADHN CC[C@@H](N)C(=O)N1C[C@@H](C)C[C@@H](C)C1 36871359 343151490 /nfs/dbraw/zinc/15/14/90/343151490.db2.gz YLQFGAPKCGSAHX-KXUCPTDWSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](N)C(=O)Nc1cccc(F)c1 36871311 343151545 /nfs/dbraw/zinc/15/15/45/343151545.db2.gz XDYCHDTYLYRPGS-SECBINFHSA-N 0 3 196.225 1.502 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccc(C)cc1 36871385 343151555 /nfs/dbraw/zinc/15/15/55/343151555.db2.gz YFESGYPMTCONDU-SNVBAGLBSA-N 0 3 192.262 1.671 20 0 ADADHN CC[C@@H](N)C(=O)NC1CCC(C)CC1 36871395 343151580 /nfs/dbraw/zinc/15/15/80/343151580.db2.gz OROGBYQLVKQINS-UDNWOFFPSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@H](C)C1 36871360 343151586 /nfs/dbraw/zinc/15/15/86/343151586.db2.gz YLQFGAPKCGSAHX-GUBZILKMSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)Nc1nc(C)cs1 36871410 343151595 /nfs/dbraw/zinc/15/15/95/343151595.db2.gz POSPZSWPPFGUIG-LURJTMIESA-N 0 3 199.279 1.127 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@@H](CC)C1 36871867 343151619 /nfs/dbraw/zinc/15/16/19/343151619.db2.gz IACYXDCFOMVPLV-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)Nc1cccc(F)c1 36871310 343151637 /nfs/dbraw/zinc/15/16/37/343151637.db2.gz XDYCHDTYLYRPGS-VIFPVBQESA-N 0 3 196.225 1.502 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCCCCC1 36871495 343151642 /nfs/dbraw/zinc/15/16/42/343151642.db2.gz XFFXQHFDRZHSJJ-SNVBAGLBSA-N 0 3 198.310 1.516 20 0 ADADHN CC[C@@H](N)C(=O)N1C[C@@H](C)C[C@H](C)C1 36871361 343151686 /nfs/dbraw/zinc/15/16/86/343151686.db2.gz YLQFGAPKCGSAHX-LPEHRKFASA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ncc(C)s1 36871315 343151744 /nfs/dbraw/zinc/15/17/44/343151744.db2.gz JUZMJQXZTOQDGY-ZCFIWIBFSA-N 0 3 199.279 1.127 20 0 ADADHN CC[C@H](N)C(=O)NC1CCC(C)CC1 36871394 343151799 /nfs/dbraw/zinc/15/17/99/343151799.db2.gz OROGBYQLVKQINS-RTBKNWGFSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC[C@@H]1CC 36871612 343151830 /nfs/dbraw/zinc/15/18/30/343151830.db2.gz PSDFEEIIPDLLFM-UWVGGRQHSA-N 0 3 198.310 1.515 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccccc1F 36871329 343151838 /nfs/dbraw/zinc/15/18/38/343151838.db2.gz WBIUHTGPGHFMSN-MRVPVSSYSA-N 0 3 196.225 1.502 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H](C)C1 36871358 343151842 /nfs/dbraw/zinc/15/18/42/343151842.db2.gz YLQFGAPKCGSAHX-AEJSXWLSSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC[C@H]1C 36871008 343151852 /nfs/dbraw/zinc/15/18/52/343151852.db2.gz ROQBJPRILSONRW-BDAKNGLRSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@H](N)C(=O)Nc1ncc(C)s1 36871314 343151864 /nfs/dbraw/zinc/15/18/64/343151864.db2.gz JUZMJQXZTOQDGY-LURJTMIESA-N 0 3 199.279 1.127 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC[C@@H]1C 36871006 343151869 /nfs/dbraw/zinc/15/18/69/343151869.db2.gz ROQBJPRILSONRW-IUCAKERBSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccc(C)cc1 36871384 343151874 /nfs/dbraw/zinc/15/18/74/343151874.db2.gz YFESGYPMTCONDU-JTQLQIEISA-N 0 3 192.262 1.671 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC[C@H]1CC 36871611 343151879 /nfs/dbraw/zinc/15/18/79/343151879.db2.gz PSDFEEIIPDLLFM-ZJUUUORDSA-N 0 3 198.310 1.515 20 0 ADADHN Cc1nc([C@@H](C)N)[nH]c1C 36872155 343152222 /nfs/dbraw/zinc/15/22/22/343152222.db2.gz OJNHYZJZNFJNRP-SCSAIBSYSA-N 0 3 139.202 1.046 20 0 ADADHN Cc1nc([C@H](C)N)[nH]c1C 36872156 343152326 /nfs/dbraw/zinc/15/23/26/343152326.db2.gz OJNHYZJZNFJNRP-BYPYZUCNSA-N 0 3 139.202 1.046 20 0 ADADHN CC(C)[C@@H](C)NCc1cc[nH]n1 36900297 343153122 /nfs/dbraw/zinc/15/31/22/343153122.db2.gz SIRZSSVPZYDKCZ-MRVPVSSYSA-N 0 3 167.256 1.544 20 0 ADADHN c1cc(CNC(C2CC2)C2CC2)n[nH]1 36900174 343153207 /nfs/dbraw/zinc/15/32/07/343153207.db2.gz BEDUELHCKXPXKH-UHFFFAOYSA-N 0 3 191.278 1.688 20 0 ADADHN CCCCCNCc1cc[nH]n1 36899968 343153259 /nfs/dbraw/zinc/15/32/59/343153259.db2.gz RFCVUBQRXBINLS-UHFFFAOYSA-N 0 3 167.256 1.690 20 0 ADADHN CC(C)CCNCc1cc[nH]n1 36900021 343153272 /nfs/dbraw/zinc/15/32/72/343153272.db2.gz FQCNIGZLWOBOTQ-UHFFFAOYSA-N 0 3 167.256 1.545 20 0 ADADHN CCC(CC)NCc1cc[nH]n1 36899951 343153294 /nfs/dbraw/zinc/15/32/94/343153294.db2.gz LIJZVYPNUVXBHI-UHFFFAOYSA-N 0 3 167.256 1.688 20 0 ADADHN CC(C)OCCCNCc1cc[nH]n1 36900258 343153324 /nfs/dbraw/zinc/15/33/24/343153324.db2.gz JFAGBZWRKORNCL-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CC(C)[C@H](C)NCc1cc[nH]n1 36900298 343153413 /nfs/dbraw/zinc/15/34/13/343153413.db2.gz SIRZSSVPZYDKCZ-QMMMGPOBSA-N 0 3 167.256 1.544 20 0 ADADHN CCCCNCc1cc[nH]n1 36900005 343153443 /nfs/dbraw/zinc/15/34/43/343153443.db2.gz NCCNWUDYBXOIDT-UHFFFAOYSA-N 0 3 153.229 1.299 20 0 ADADHN C[C@H](NCc1cc[nH]n1)C1CC1 36900349 343153478 /nfs/dbraw/zinc/15/34/78/343153478.db2.gz JLQIZWMWRMXGFW-ZETCQYMHSA-N 0 3 165.240 1.298 20 0 ADADHN CCC(C)(C)NCc1cc[nH]n1 36899944 343153508 /nfs/dbraw/zinc/15/35/08/343153508.db2.gz MLEJOYJTMWIIML-UHFFFAOYSA-N 0 3 167.256 1.688 20 0 ADADHN CC[C@H](C)NCc1cc[nH]n1 36899948 343153512 /nfs/dbraw/zinc/15/35/12/343153512.db2.gz ODEUIXHLOIRMMB-ZETCQYMHSA-N 0 3 153.229 1.298 20 0 ADADHN Cc1n[nH]cc1CNC(C)C 36901401 343153625 /nfs/dbraw/zinc/15/36/25/343153625.db2.gz LCSHFTOZKUGIRC-UHFFFAOYSA-N 0 3 153.229 1.216 20 0 ADADHN Cc1ncsc1CNC(C)C 36947904 343155791 /nfs/dbraw/zinc/15/57/91/343155791.db2.gz UIHKBNYSNPUGPZ-UHFFFAOYSA-N 0 3 170.281 1.950 20 0 ADADHN Cc1ccoc1CNC1CC1 36947966 343155797 /nfs/dbraw/zinc/15/57/97/343155797.db2.gz BGYIGUMDLCOWHW-UHFFFAOYSA-N 0 3 151.209 1.840 20 0 ADADHN Cc1ccc(C)c([C@@H](N)CO)c1 36949527 343155883 /nfs/dbraw/zinc/15/58/83/343155883.db2.gz TVFYOWHNZDDLOY-JTQLQIEISA-N 0 3 165.236 1.296 20 0 ADADHN Cc1ccc(C)c([C@H](N)CO)c1 36949526 343155979 /nfs/dbraw/zinc/15/59/79/343155979.db2.gz TVFYOWHNZDDLOY-SNVBAGLBSA-N 0 3 165.236 1.296 20 0 ADADHN CC[C@H]1CCCC[C@@H]1NC(=O)CN 37027223 343157800 /nfs/dbraw/zinc/15/78/00/343157800.db2.gz RBVGDTMVRRTKRK-IUCAKERBSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@@H]1CCCC[C@H]1NC(=O)CN 37027224 343157831 /nfs/dbraw/zinc/15/78/31/343157831.db2.gz RBVGDTMVRRTKRK-RKDXNWHRSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H]1CCCC[C@H]1NC(=O)CN 37027225 343157882 /nfs/dbraw/zinc/15/78/82/343157882.db2.gz RBVGDTMVRRTKRK-DTWKUNHWSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@@H]1CCCC[C@@H]1NC(=O)CN 37027222 343157956 /nfs/dbraw/zinc/15/79/56/343157956.db2.gz RBVGDTMVRRTKRK-BDAKNGLRSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccc(O)cc1 37040530 343158097 /nfs/dbraw/zinc/15/80/97/343158097.db2.gz JGACNNVBHJMDAC-SECBINFHSA-N 0 3 194.234 1.068 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccc(O)cc1 37040529 343158105 /nfs/dbraw/zinc/15/81/05/343158105.db2.gz JGACNNVBHJMDAC-VIFPVBQESA-N 0 3 194.234 1.068 20 0 ADADHN CN(C(=O)C1(N)CCCCC1)C1CC1 37081187 343158573 /nfs/dbraw/zinc/15/85/73/343158573.db2.gz FJZMCSLBCPCVDY-UHFFFAOYSA-N 0 3 196.294 1.269 20 0 ADADHN CCOC(=O)CCN(C)C1CC1 37081334 343158796 /nfs/dbraw/zinc/15/87/96/343158796.db2.gz LWNSPCMQMYCSTA-UHFFFAOYSA-N 0 3 171.240 1.034 20 0 ADADHN CC(C)[C@@H](N)C(=O)N(C)C1CCCC1 37092830 343159096 /nfs/dbraw/zinc/15/90/96/343159096.db2.gz VVMKUSXRAWLKRX-SNVBAGLBSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C)C1CCCC1 37092829 343159264 /nfs/dbraw/zinc/15/92/64/343159264.db2.gz VVMKUSXRAWLKRX-JTQLQIEISA-N 0 3 198.310 1.371 20 0 ADADHN c1ccc2nc(CNC3CC3)cnc2c1 37183785 343162371 /nfs/dbraw/zinc/16/23/71/343162371.db2.gz ANXZTRMIJWBBEY-UHFFFAOYSA-N 0 3 199.257 1.882 20 0 ADADHN C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N)C1 37256196 343164538 /nfs/dbraw/zinc/16/45/38/343164538.db2.gz BWCTWCJXGNBDSC-DJLDLDEBSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CCC[C@H](NC(=O)[C@@H](C)N)C1 37256192 343164805 /nfs/dbraw/zinc/16/48/05/343164805.db2.gz BWCTWCJXGNBDSC-YIZRAAEISA-N 0 3 184.283 1.029 20 0 ADADHN CNCC(=O)NC1CCCCCC1 37387763 343167328 /nfs/dbraw/zinc/16/73/28/343167328.db2.gz HSCRISSFCBRPMC-UHFFFAOYSA-N 0 3 184.283 1.045 20 0 ADADHN CCC(C)(C)NC(=O)CNC(C)C 37389862 343167702 /nfs/dbraw/zinc/16/77/02/343167702.db2.gz BOHSSNMVOHTUMI-UHFFFAOYSA-N 0 3 186.299 1.289 20 0 ADADHN CCC(CC)NC(=O)CNC(C)C 37389699 343167845 /nfs/dbraw/zinc/16/78/45/343167845.db2.gz BUJLTQXKNYKBGA-UHFFFAOYSA-N 0 3 186.299 1.289 20 0 ADADHN CCCCNC(=O)C1(N)CCCC1 37479377 343170723 /nfs/dbraw/zinc/17/07/23/343170723.db2.gz SVYHQAMFMCWGBF-UHFFFAOYSA-N 0 3 184.283 1.174 20 0 ADADHN CC(C)NCC(=O)Nc1cccnc1 37477067 343170748 /nfs/dbraw/zinc/17/07/48/343170748.db2.gz MGJVQOIIRUUKQQ-UHFFFAOYSA-N 0 3 193.250 1.018 20 0 ADADHN CCCCCNC(=O)C1(N)CCCC1 37479378 343170901 /nfs/dbraw/zinc/17/09/01/343170901.db2.gz VQFGVTBGXKAWOG-UHFFFAOYSA-N 0 3 198.310 1.564 20 0 ADADHN CC(C)NCC(=O)Nc1ccccn1 37477066 343170919 /nfs/dbraw/zinc/17/09/19/343170919.db2.gz BFUOAJMLFBRYLD-UHFFFAOYSA-N 0 3 193.250 1.018 20 0 ADADHN CCCCN(C)C(=O)C1(N)CCCC1 37479382 343171041 /nfs/dbraw/zinc/17/10/41/343171041.db2.gz NIYVIMDQOBVKLM-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN CCCN(C)C(=O)C1(N)CCCC1 37479452 343171054 /nfs/dbraw/zinc/17/10/54/343171054.db2.gz QVGJIFIIZRHCBG-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN CC[C@H](C)NC(=O)C1(N)CCCC1 37479349 343171108 /nfs/dbraw/zinc/17/11/08/343171108.db2.gz XDXGNYKLADKJSN-QMMMGPOBSA-N 0 3 184.283 1.173 20 0 ADADHN CC[C@H](C)NCc1cccnc1OC 37485428 343171584 /nfs/dbraw/zinc/17/15/84/343171584.db2.gz ARBUYSYYHKTWTA-VIFPVBQESA-N 0 3 194.278 1.978 20 0 ADADHN CN1CC[C@@H](CNc2nccs2)C1 37485190 343171668 /nfs/dbraw/zinc/17/16/68/343171668.db2.gz MPCBNHUHSZZKBU-QMMMGPOBSA-N 0 3 197.307 1.507 20 0 ADADHN C[C@H](O)CNCc1ccc(Cl)o1 37487038 343171720 /nfs/dbraw/zinc/17/17/20/343171720.db2.gz VKYXNNNHSUKPME-LURJTMIESA-N 0 3 189.642 1.403 20 0 ADADHN CN1CC[C@H](CNc2nccs2)C1 37485189 343171771 /nfs/dbraw/zinc/17/17/71/343171771.db2.gz MPCBNHUHSZZKBU-MRVPVSSYSA-N 0 3 197.307 1.507 20 0 ADADHN Cc1ncc(CNC(C)C)s1 37505292 343171894 /nfs/dbraw/zinc/17/18/94/343171894.db2.gz DCIKSEKWZRJGSD-UHFFFAOYSA-N 0 3 170.281 1.950 20 0 ADADHN CNCC(=O)N(C)C1CCC(C)CC1 37495872 343172132 /nfs/dbraw/zinc/17/21/32/343172132.db2.gz NBZSFUZEIQSVNR-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](c1ccccc1)N(C)C(=O)CN 37495230 343172200 /nfs/dbraw/zinc/17/22/00/343172200.db2.gz LQPPBJISSKFKGI-SECBINFHSA-N 0 3 192.262 1.165 20 0 ADADHN Cc1cc(NCCN(C)C)nc(C)n1 37498666 343172229 /nfs/dbraw/zinc/17/22/29/343172229.db2.gz UOEXAWKVBYSUPH-UHFFFAOYSA-N 0 3 194.282 1.067 20 0 ADADHN CC[C@H](N)C(=O)N(C)C1CCCC1 37507182 343172432 /nfs/dbraw/zinc/17/24/32/343172432.db2.gz URYFFMLNBBOIRB-VIFPVBQESA-N 0 3 184.283 1.125 20 0 ADADHN CCn1nc(C)c(CNC2CC2)c1C 37507115 343172460 /nfs/dbraw/zinc/17/24/60/343172460.db2.gz RPNDQOJSJLKZGK-UHFFFAOYSA-N 0 3 193.294 1.772 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)C1 37507190 343172512 /nfs/dbraw/zinc/17/25/12/343172512.db2.gz ZEYAZKOPZNHHPC-AEJSXWLSSA-N 0 3 198.310 1.419 20 0 ADADHN Cc1cccc(NCCN(C)C)n1 37670493 343173353 /nfs/dbraw/zinc/17/33/53/343173353.db2.gz XVEWGKNQWNGFPE-UHFFFAOYSA-N 0 3 179.267 1.364 20 0 ADADHN CC[C@@H](O)CN(C)Cc1ccccc1 37693527 343174584 /nfs/dbraw/zinc/17/45/84/343174584.db2.gz VTKPGDQABPZWNA-GFCCVEGCSA-N 0 3 193.290 1.889 20 0 ADADHN CC[C@H](O)CN(C)Cc1ccccc1 37693526 343174635 /nfs/dbraw/zinc/17/46/35/343174635.db2.gz VTKPGDQABPZWNA-LBPRGKRZSA-N 0 3 193.290 1.889 20 0 ADADHN Cc1ccc(CN(C)C[C@H](C)O)cc1 37693650 343174798 /nfs/dbraw/zinc/17/47/98/343174798.db2.gz TZPQQFPFMIDDGN-NSHDSACASA-N 0 3 193.290 1.808 20 0 ADADHN C[C@H](NCC(C)(C)O)c1ccco1 37692328 343174820 /nfs/dbraw/zinc/17/48/20/343174820.db2.gz HYNIICVXYOFDMS-QMMMGPOBSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@@H](O)CN(C)Cc1cccc(F)c1 37693660 343175106 /nfs/dbraw/zinc/17/51/06/343175106.db2.gz GQUAVZVIJDVULU-SECBINFHSA-N 0 3 197.253 1.638 20 0 ADADHN C[C@H](O)CN(C)Cc1cccc(F)c1 37693659 343175115 /nfs/dbraw/zinc/17/51/15/343175115.db2.gz GQUAVZVIJDVULU-VIFPVBQESA-N 0 3 197.253 1.638 20 0 ADADHN C[C@H](O)CN1CCc2sccc2C1 37693714 343175291 /nfs/dbraw/zinc/17/52/91/343175291.db2.gz UPQQHWPDBNPICO-QMMMGPOBSA-N 0 3 197.303 1.487 20 0 ADADHN CC[C@H](O)CN(C)Cc1ccco1 37693970 343175385 /nfs/dbraw/zinc/17/53/85/343175385.db2.gz JKEZYFQXGXDJDQ-VIFPVBQESA-N 0 3 183.251 1.482 20 0 ADADHN CN(Cc1cccs1)CC(C)(C)O 37693977 343175655 /nfs/dbraw/zinc/17/56/55/343175655.db2.gz HPWHTRUBVQIKRA-UHFFFAOYSA-N 0 3 199.319 1.951 20 0 ADADHN CC[C@@H](O)CN(C)Cc1ccco1 37693971 343175683 /nfs/dbraw/zinc/17/56/83/343175683.db2.gz JKEZYFQXGXDJDQ-SECBINFHSA-N 0 3 183.251 1.482 20 0 ADADHN CC[C@@H](O)CN(C)Cc1ccsc1 37693981 343175703 /nfs/dbraw/zinc/17/57/03/343175703.db2.gz LTIHGVZFUPXXCQ-SNVBAGLBSA-N 0 3 199.319 1.951 20 0 ADADHN CN(Cc1cccnc1)CC(C)(C)O 37694028 343175732 /nfs/dbraw/zinc/17/57/32/343175732.db2.gz PIWRGRZYRUACMQ-UHFFFAOYSA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@H](O)CN(C)Cc1ccsc1 37693980 343175761 /nfs/dbraw/zinc/17/57/61/343175761.db2.gz LTIHGVZFUPXXCQ-JTQLQIEISA-N 0 3 199.319 1.951 20 0 ADADHN CC[C@H](O)CN(C)Cc1cccs1 37693975 343175783 /nfs/dbraw/zinc/17/57/83/343175783.db2.gz LLTMUCDELSOELF-VIFPVBQESA-N 0 3 199.319 1.951 20 0 ADADHN CN(Cc1ccco1)CC(C)(C)O 37693972 343175838 /nfs/dbraw/zinc/17/58/38/343175838.db2.gz ISNVEJDNGPKCNC-UHFFFAOYSA-N 0 3 183.251 1.482 20 0 ADADHN CN(Cc1ccccn1)CC(C)(C)O 37694044 343175884 /nfs/dbraw/zinc/17/58/84/343175884.db2.gz VWXMZLHVXWSXCN-UHFFFAOYSA-N 0 3 194.278 1.284 20 0 ADADHN CN(Cc1ccsc1)CC(C)(C)O 37693982 343175959 /nfs/dbraw/zinc/17/59/59/343175959.db2.gz VKCMALPTLXDAKA-UHFFFAOYSA-N 0 3 199.319 1.951 20 0 ADADHN CN(Cc1ccncc1)CC(C)(C)O 37694033 343176002 /nfs/dbraw/zinc/17/60/02/343176002.db2.gz MZDQIKQJRXFOMR-UHFFFAOYSA-N 0 3 194.278 1.284 20 0 ADADHN CNCC(=O)NCCC1CCCCC1 37740226 343177019 /nfs/dbraw/zinc/17/70/19/343177019.db2.gz WIDLCPRIYYLTCU-UHFFFAOYSA-N 0 3 198.310 1.292 20 0 ADADHN Cc1ccc(CNC[C@H]2CCOC2)o1 37737978 343177246 /nfs/dbraw/zinc/17/72/46/343177246.db2.gz BBEGPSYXFDRJKW-SNVBAGLBSA-N 0 3 195.262 1.714 20 0 ADADHN C[C@H](N)C(=O)NCCC1CCCCC1 37740207 343177322 /nfs/dbraw/zinc/17/73/22/343177322.db2.gz GUKUTWZLJIHETG-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN Cc1ccc(CNC[C@@H]2CCOC2)o1 37737977 343177372 /nfs/dbraw/zinc/17/73/72/343177372.db2.gz BBEGPSYXFDRJKW-JTQLQIEISA-N 0 3 195.262 1.714 20 0 ADADHN Cc1ccc([C@H](C)NC(=O)CN)cc1 37764898 343177963 /nfs/dbraw/zinc/17/79/63/343177963.db2.gz GPTDGKSZLRFSFN-VIFPVBQESA-N 0 3 192.262 1.131 20 0 ADADHN Cc1ccc([C@@H](C)NC(=O)CN)cc1 37764897 343178200 /nfs/dbraw/zinc/17/82/00/343178200.db2.gz GPTDGKSZLRFSFN-SECBINFHSA-N 0 3 192.262 1.131 20 0 ADADHN C[C@H](N)C(=O)N(C)CC1CCCCC1 37818852 343178495 /nfs/dbraw/zinc/17/84/95/343178495.db2.gz OMGZAPQWINEEJO-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CNCC(=O)N(C)CC1CCCCC1 37818868 343178582 /nfs/dbraw/zinc/17/85/82/343178582.db2.gz NMUNZJDLCDBSNH-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N(C)CC1CC1 37816361 343178599 /nfs/dbraw/zinc/17/85/99/343178599.db2.gz ZFQZNAFFTZLKRF-WPRPVWTQSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H](c1cccs1)N(C)C(=O)CN 37821243 343178721 /nfs/dbraw/zinc/17/87/21/343178721.db2.gz WIVGMJRKAACLSF-SSDOTTSWSA-N 0 3 198.291 1.226 20 0 ADADHN C[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)N 37806850 343178733 /nfs/dbraw/zinc/17/87/33/343178733.db2.gz BSDRBTOUUAULKS-IVZWLZJFSA-N 0 3 198.310 1.371 20 0 ADADHN CC1CCC(N(C)C(=O)[C@@H](C)N)CC1 37805516 343178741 /nfs/dbraw/zinc/17/87/41/343178741.db2.gz SMUFFSBCRWGDRS-HWOCKDDLSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CCCN1C(=O)C1(N)CCCC1 37911959 343181064 /nfs/dbraw/zinc/18/10/64/343181064.db2.gz VMDKZUPXRWRUGM-VIFPVBQESA-N 0 3 196.294 1.269 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@H]1CCCCN1 37911973 343181220 /nfs/dbraw/zinc/18/12/20/343181220.db2.gz BMFRBVQLSPUKJN-VHSXEESVSA-N 0 3 196.294 1.139 20 0 ADADHN C[C@H]1CCC[C@H](NCc2nc[nH]n2)C1 37919141 343181615 /nfs/dbraw/zinc/18/16/15/343181615.db2.gz QMIPQIYGPGZARO-IUCAKERBSA-N 0 3 194.282 1.473 20 0 ADADHN C[C@H]1CCC[C@@H](NCc2nc[nH]n2)C1 37919143 343181654 /nfs/dbraw/zinc/18/16/54/343181654.db2.gz QMIPQIYGPGZARO-DTWKUNHWSA-N 0 3 194.282 1.473 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@@H]1CC 37915040 343181695 /nfs/dbraw/zinc/18/16/95/343181695.db2.gz HGVYJXYNLLCSMJ-IUCAKERBSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@H]1CC 37915039 343181731 /nfs/dbraw/zinc/18/17/31/343181731.db2.gz HGVYJXYNLLCSMJ-BDAKNGLRSA-N 0 3 184.283 1.125 20 0 ADADHN Cc1ccoc1CNC[C@@H]1CCCO1 37927462 343182034 /nfs/dbraw/zinc/18/20/34/343182034.db2.gz APEOZKAZFCRJRZ-JTQLQIEISA-N 0 3 195.262 1.857 20 0 ADADHN C[C@H](CNc1nccs1)N(C)C 37988062 343182984 /nfs/dbraw/zinc/18/29/84/343182984.db2.gz BZPMZKYLHWWDTO-SSDOTTSWSA-N 0 3 185.296 1.505 20 0 ADADHN Cc1cc(C)cc(CNCCO)c1 37978567 343183003 /nfs/dbraw/zinc/18/30/03/343183003.db2.gz AQWAOJZEGGKYTQ-UHFFFAOYSA-N 0 3 179.263 1.385 20 0 ADADHN CCC1CCC(N(C)C(=O)CN)CC1 38059211 343183874 /nfs/dbraw/zinc/18/38/74/343183874.db2.gz QKBXIAJOCLXCDD-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](CNCc1cccnc1)N(C)C 38088700 343184317 /nfs/dbraw/zinc/18/43/17/343184317.db2.gz AIIHJTCSWASTLY-JTQLQIEISA-N 0 3 193.294 1.121 20 0 ADADHN C[C@H](CNCc1ccco1)N(C)C 38088705 343184416 /nfs/dbraw/zinc/18/44/16/343184416.db2.gz IRZBFRAEEYLYPN-SECBINFHSA-N 0 3 182.267 1.319 20 0 ADADHN Cc1ccc(CNC[C@H](C)N(C)C)o1 38088711 343184423 /nfs/dbraw/zinc/18/44/23/343184423.db2.gz QGOVLABNUVMSTE-VIFPVBQESA-N 0 3 196.294 1.628 20 0 ADADHN Cc1ccc(CNC[C@@H](C)N(C)C)o1 38088710 343184429 /nfs/dbraw/zinc/18/44/29/343184429.db2.gz QGOVLABNUVMSTE-SECBINFHSA-N 0 3 196.294 1.628 20 0 ADADHN C[C@H](CNCc1cccnc1)N(C)C 38088701 343184492 /nfs/dbraw/zinc/18/44/92/343184492.db2.gz AIIHJTCSWASTLY-SNVBAGLBSA-N 0 3 193.294 1.121 20 0 ADADHN CC(C)CCCNCc1cc[nH]n1 38093620 343184601 /nfs/dbraw/zinc/18/46/01/343184601.db2.gz CHXVJWXJAYPAMW-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN Cc1cccc(CN2CC[C@H](O)C2)c1 38538822 343188921 /nfs/dbraw/zinc/18/89/21/343188921.db2.gz DQFPTAQGXQOODZ-LBPRGKRZSA-N 0 3 191.274 1.562 20 0 ADADHN Cc1cccc(CN2CC[C@@H](O)C2)c1 38538825 343188938 /nfs/dbraw/zinc/18/89/38/343188938.db2.gz DQFPTAQGXQOODZ-GFCCVEGCSA-N 0 3 191.274 1.562 20 0 ADADHN Cc1ccc(CN2CC[C@H](O)C2)cc1 38538657 343189006 /nfs/dbraw/zinc/18/90/06/343189006.db2.gz OTAGUVODSNQJHZ-LBPRGKRZSA-N 0 3 191.274 1.562 20 0 ADADHN Cc1ccc(CN2CC[C@@H](O)C2)cc1 38538659 343189014 /nfs/dbraw/zinc/18/90/14/343189014.db2.gz OTAGUVODSNQJHZ-GFCCVEGCSA-N 0 3 191.274 1.562 20 0 ADADHN CN1CCC(=O)CC12CCCCC2 38592990 343189932 /nfs/dbraw/zinc/18/99/32/343189932.db2.gz CACRJFOYGZESQL-UHFFFAOYSA-N 0 3 181.279 1.984 20 0 ADADHN CN(C)Cc1c[nH]c2cccnc12 38876254 343191551 /nfs/dbraw/zinc/19/15/51/343191551.db2.gz AGHAZSVTFUGVIU-UHFFFAOYSA-N 0 3 175.235 1.625 20 0 ADADHN CCCCN1CCN2C(=O)CC[C@H]2C1 38916765 343192298 /nfs/dbraw/zinc/19/22/98/343192298.db2.gz QMKRJGJXLWHPAS-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN Cc1cc(C)n(CCN(C)C)n1 39082473 343197462 /nfs/dbraw/zinc/19/74/62/343197462.db2.gz DODZTAMGNBTTRI-UHFFFAOYSA-N 0 3 167.256 1.062 20 0 ADADHN CC[C@H](C)N1CCN(C)CC1 39113526 343199977 /nfs/dbraw/zinc/19/99/77/343199977.db2.gz UOPPHGCAWSUIAW-VIFPVBQESA-N 0 3 156.273 1.032 20 0 ADADHN CCCN1CCN(CC)CC1 39113504 343200197 /nfs/dbraw/zinc/20/01/97/343200197.db2.gz ZJAQKWSLYRNXDR-UHFFFAOYSA-N 0 3 156.273 1.034 20 0 ADADHN C[C@H]1Cc2sccc2CN1 39123421 343202496 /nfs/dbraw/zinc/20/24/96/343202496.db2.gz QKVPIYNGWXJVJC-LURJTMIESA-N 0 3 153.250 1.782 20 0 ADADHN Cc1cc(CNC(C)C)[nH]n1 39133797 343203275 /nfs/dbraw/zinc/20/32/75/343203275.db2.gz VQZFMTFBDXIBRF-UHFFFAOYSA-N 0 3 153.229 1.216 20 0 ADADHN COc1ccc2ncc(N)c(N)c2c1 39148260 343204910 /nfs/dbraw/zinc/20/49/10/343204910.db2.gz CLMUBJFTDMNPMQ-UHFFFAOYSA-N 0 3 189.218 1.408 20 0 ADADHN C[C@](F)(CN)c1ccccc1 39258266 343208758 /nfs/dbraw/zinc/20/87/58/343208758.db2.gz RSJAQRQLXXKVKN-VIFPVBQESA-N 0 3 153.200 1.830 20 0 ADADHN CCCCN1CCOC(C)(C)C1 39419361 343212388 /nfs/dbraw/zinc/21/23/88/343212388.db2.gz VFRXICKSEMAINK-UHFFFAOYSA-N 0 3 171.284 1.897 20 0 ADADHN CC(C)NC(=O)CN1CCC[C@@H](C)C1 40161472 343215303 /nfs/dbraw/zinc/21/53/03/343215303.db2.gz ALOQSQIGRQSGTF-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCCC[C@H](CC)CNC(=O)CN 40430768 343218026 /nfs/dbraw/zinc/21/80/26/343218026.db2.gz GCQAKQBKDFRISR-VIFPVBQESA-N 0 3 186.299 1.278 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C 40456457 343219034 /nfs/dbraw/zinc/21/90/34/343219034.db2.gz APCLYSZDABRHMF-VGMNWLOBSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C 40456458 343219066 /nfs/dbraw/zinc/21/90/66/343219066.db2.gz APCLYSZDABRHMF-HRDYMLBCSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CCC[C@@H](NC(=O)[C@H](C)N)C1 40456502 343219111 /nfs/dbraw/zinc/21/91/11/343219111.db2.gz BWCTWCJXGNBDSC-XHNCKOQMSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)C1 40456498 343219189 /nfs/dbraw/zinc/21/91/89/343219189.db2.gz BWCTWCJXGNBDSC-VGMNWLOBSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N 40456549 343219208 /nfs/dbraw/zinc/21/92/08/343219208.db2.gz GVVGUPJGZZRTRV-LPEHRKFASA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N 40456546 343219230 /nfs/dbraw/zinc/21/92/30/343219230.db2.gz GVVGUPJGZZRTRV-GUBZILKMSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C 40468907 343219264 /nfs/dbraw/zinc/21/92/64/343219264.db2.gz WFHLZYLNYKJILM-AEJSXWLSSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C 40468911 343219274 /nfs/dbraw/zinc/21/92/74/343219274.db2.gz SXNZFVSMMXQSGG-DTWKUNHWSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CCC[C@H](NC(=O)[C@H](C)N)C1 40456499 343219300 /nfs/dbraw/zinc/21/93/00/343219300.db2.gz BWCTWCJXGNBDSC-CIUDSAMLSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)C1 40456501 343219341 /nfs/dbraw/zinc/21/93/41/343219341.db2.gz BWCTWCJXGNBDSC-HRDYMLBCSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N 40456544 343219353 /nfs/dbraw/zinc/21/93/53/343219353.db2.gz GVVGUPJGZZRTRV-AEJSXWLSSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N 40456547 343219370 /nfs/dbraw/zinc/21/93/70/343219370.db2.gz GVVGUPJGZZRTRV-IVZWLZJFSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](N)C(=O)Nc1cccc(O)c1 40495371 343219553 /nfs/dbraw/zinc/21/95/53/343219553.db2.gz VYSMQPKXJXAWQN-SECBINFHSA-N 0 3 194.234 1.068 20 0 ADADHN CC[C@H](N)C(=O)Nc1cccc(O)c1 40495370 343219576 /nfs/dbraw/zinc/21/95/76/343219576.db2.gz VYSMQPKXJXAWQN-VIFPVBQESA-N 0 3 194.234 1.068 20 0 ADADHN C[C@H](CNCc1cscn1)N(C)C 40505572 343219765 /nfs/dbraw/zinc/21/97/65/343219765.db2.gz MWIVRDNSPINWFB-MRVPVSSYSA-N 0 3 199.323 1.183 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](C)C1 40724480 343222110 /nfs/dbraw/zinc/22/21/10/343222110.db2.gz YZFQGEAMOJDPRP-GUBZILKMSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](C)C1 40724482 343222330 /nfs/dbraw/zinc/22/23/30/343222330.db2.gz YZFQGEAMOJDPRP-UTLUCORTSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 40724486 343222377 /nfs/dbraw/zinc/22/23/77/343222377.db2.gz IYNOPKNZTFPNNB-DTWKUNHWSA-N 0 3 198.310 1.228 20 0 ADADHN Cc1ccc(CNCCCCO)o1 40744257 343222680 /nfs/dbraw/zinc/22/26/80/343222680.db2.gz GXBCLBGSQLJTJS-UHFFFAOYSA-N 0 3 183.251 1.450 20 0 ADADHN C[C@H]1C[C@H](C)CN(C(=O)C(C)(C)N)C1 40920259 343223957 /nfs/dbraw/zinc/22/39/57/343223957.db2.gz AWPKJBXSYKRLAH-IUCAKERBSA-N 0 3 198.310 1.228 20 0 ADADHN CC1CCC(NC(=O)C(C)(C)N)CC1 40920300 343224040 /nfs/dbraw/zinc/22/40/40/343224040.db2.gz MGRITQNFGSOILS-UHFFFAOYSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H]1CCCN(C(=O)C(C)(C)N)C1 40920913 343224134 /nfs/dbraw/zinc/22/41/34/343224134.db2.gz CYJMCVHHAPTWKN-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC1CCN(C(=O)C(C)(C)N)CC1 40924029 343224151 /nfs/dbraw/zinc/22/41/51/343224151.db2.gz IFKRPEHCMIMHOG-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H]1CCCN(C(=O)C(C)(C)N)C1 40920916 343224203 /nfs/dbraw/zinc/22/42/03/343224203.db2.gz CYJMCVHHAPTWKN-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H]1C[C@@H](C)CN(C(=O)C(C)(C)N)C1 40920256 343224240 /nfs/dbraw/zinc/22/42/40/343224240.db2.gz AWPKJBXSYKRLAH-DTORHVGOSA-N 0 3 198.310 1.228 20 0 ADADHN Cc1cnc(NC(=O)C(C)(C)N)s1 40920229 343224246 /nfs/dbraw/zinc/22/42/46/343224246.db2.gz ULSBINDMDJNLBG-UHFFFAOYSA-N 0 3 199.279 1.127 20 0 ADADHN CN(C(=O)C(C)(C)N)C1CCCC1 40920545 343224278 /nfs/dbraw/zinc/22/42/78/343224278.db2.gz ZYQOBMGCPDHYDP-UHFFFAOYSA-N 0 3 184.283 1.125 20 0 ADADHN C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N 40920243 343224299 /nfs/dbraw/zinc/22/42/99/343224299.db2.gz BPFPPLHFZZVJAX-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN Cc1ccc(NC(=O)C(C)(C)N)nc1 40920380 343224321 /nfs/dbraw/zinc/22/43/21/343224321.db2.gz FKJQJQVMWVQUPC-UHFFFAOYSA-N 0 3 193.250 1.066 20 0 ADADHN Cc1ccnc(NC(=O)C(C)(C)N)c1 40920400 343224343 /nfs/dbraw/zinc/22/43/43/343224343.db2.gz CYZCHPORDLAPSD-UHFFFAOYSA-N 0 3 193.250 1.066 20 0 ADADHN CCCCN(CC)C(=O)C(C)(C)N 40920202 343224405 /nfs/dbraw/zinc/22/44/05/343224405.db2.gz GFQXAONOAHYNFU-UHFFFAOYSA-N 0 3 186.299 1.372 20 0 ADADHN C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N 40920238 343224410 /nfs/dbraw/zinc/22/44/10/343224410.db2.gz BPFPPLHFZZVJAX-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)NCc1cnn(C(C)C)c1 40932624 343224552 /nfs/dbraw/zinc/22/45/52/343224552.db2.gz YNEVGLSTKQHMRX-UHFFFAOYSA-N 0 3 181.283 1.962 20 0 ADADHN CC(C)n1cc(CNC2CC2)cn1 40932625 343224596 /nfs/dbraw/zinc/22/45/96/343224596.db2.gz SAHYAVAYWPQPRF-UHFFFAOYSA-N 0 3 179.267 1.716 20 0 ADADHN CCCCn1cc(CN)cn1 40930315 343224603 /nfs/dbraw/zinc/22/46/03/343224603.db2.gz JUYHPVGSVDEOID-UHFFFAOYSA-N 0 3 153.229 1.142 20 0 ADADHN CC[C@H](C)n1cc(CN)cn1 40930741 343224713 /nfs/dbraw/zinc/22/47/13/343224713.db2.gz QEOSQLWPGIKPSC-ZETCQYMHSA-N 0 3 153.229 1.313 20 0 ADADHN CC[C@H](C)n1cc(CNC)cn1 40932664 343224879 /nfs/dbraw/zinc/22/48/79/343224879.db2.gz VIUHZEQQLJSNKQ-QMMMGPOBSA-N 0 3 167.256 1.574 20 0 ADADHN CCC(CC)CNCc1cc[nH]n1 41013983 343224998 /nfs/dbraw/zinc/22/49/98/343224998.db2.gz SYPLQFWKOLDXDG-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN CC(C)NCc1ccno1 41042010 343226033 /nfs/dbraw/zinc/22/60/33/343226033.db2.gz SJXYCNCJHCDHHF-UHFFFAOYSA-N 0 3 140.186 1.173 20 0 ADADHN C[C@H]1CCC[C@@H](NC(=O)C(C)(C)N)C1 41043537 343226081 /nfs/dbraw/zinc/22/60/81/343226081.db2.gz OXRTVVUXQICEQW-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](C)NCc1cc(C)no1 41042234 343226265 /nfs/dbraw/zinc/22/62/65/343226265.db2.gz MDQRNIQKMBCOSF-ZETCQYMHSA-N 0 3 168.240 1.871 20 0 ADADHN C[C@H]1CCC[C@H](NC(=O)C(C)(C)N)C1 41043535 343226415 /nfs/dbraw/zinc/22/64/15/343226415.db2.gz OXRTVVUXQICEQW-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CN(C)CCNc1ccc(F)cn1 41045294 343226736 /nfs/dbraw/zinc/22/67/36/343226736.db2.gz VLMVHGCNGCYEOQ-UHFFFAOYSA-N 0 3 183.230 1.194 20 0 ADADHN Cc1cc(CNCC2CC2)[nH]n1 41050799 343227398 /nfs/dbraw/zinc/22/73/98/343227398.db2.gz XPHOHXIWKXNDDW-UHFFFAOYSA-N 0 3 165.240 1.218 20 0 ADADHN Cc1cc(CNC(C)C)n(C)n1 41050851 343227621 /nfs/dbraw/zinc/22/76/21/343227621.db2.gz XDRXKMPKRMZYNC-UHFFFAOYSA-N 0 3 167.256 1.227 20 0 ADADHN Cc1cc(CNC(C)(C)C)n(C)n1 41050853 343227707 /nfs/dbraw/zinc/22/77/07/343227707.db2.gz YIMSLPBDJNQTLQ-UHFFFAOYSA-N 0 3 181.283 1.617 20 0 ADADHN Cc1cc(CNC(C)(C)C)[nH]n1 41050787 343227733 /nfs/dbraw/zinc/22/77/33/343227733.db2.gz MYJMQFBNVKIPSB-UHFFFAOYSA-N 0 3 167.256 1.606 20 0 ADADHN CC(C)NC(=O)CN1CCCC[C@@H]1C 41362588 343233003 /nfs/dbraw/zinc/23/30/03/343233003.db2.gz NBRHGXFPAGGBNY-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CCNC(=O)CN1C[C@@H](C)C[C@@H](C)C1 41363058 343233011 /nfs/dbraw/zinc/23/30/11/343233011.db2.gz UQDBAXVENBMDPU-AOOOYVTPSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@H]1C[C@H](C)CN(CC(=O)N(C)C)C1 41363038 343233025 /nfs/dbraw/zinc/23/30/25/343233025.db2.gz QIZRSQYZJHDRKQ-UWVGGRQHSA-N 0 3 198.310 1.053 20 0 ADADHN CC1CCN([C@@H](C)C(=O)N(C)C)CC1 41362417 343233058 /nfs/dbraw/zinc/23/30/58/343233058.db2.gz IZCLIEDPBKXWTM-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CCNC(=O)CN1C[C@H](C)C[C@@H](C)C1 41363062 343233068 /nfs/dbraw/zinc/23/30/68/343233068.db2.gz UQDBAXVENBMDPU-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CC1CCN([C@H](C)C(=O)N(C)C)CC1 41362419 343233106 /nfs/dbraw/zinc/23/31/06/343233106.db2.gz IZCLIEDPBKXWTM-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CCNC(=O)CN1C[C@@H](C)C[C@H](C)C1 41363060 343233297 /nfs/dbraw/zinc/23/32/97/343233297.db2.gz UQDBAXVENBMDPU-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@H](C(=O)N(C)C)N1CCCCCC1 41363207 343233562 /nfs/dbraw/zinc/23/35/62/343233562.db2.gz JDGRNWVWDVCXLM-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)CN1C[C@H](C)O[C@H](C)C1 41363482 343233585 /nfs/dbraw/zinc/23/35/85/343233585.db2.gz VZNBQNMICHQLJL-AOOOYVTPSA-N 0 3 171.284 1.752 20 0 ADADHN CCCSCCN(C)C 41364111 343234194 /nfs/dbraw/zinc/23/41/94/343234194.db2.gz UDYYYVZEMGEHHJ-UHFFFAOYSA-N 0 3 147.287 1.691 20 0 ADADHN CC[C@H](C)NC(=O)CN(CC)CC 41392083 343234507 /nfs/dbraw/zinc/23/45/07/343234507.db2.gz FLSUMTRSHGSHRH-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCN(CC)CC(=O)NC1CCCC1 41392040 343234628 /nfs/dbraw/zinc/23/46/28/343234628.db2.gz COIFMXHFCLYAQL-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCn1c(C)nnc1[C@@H]1CCCN1 42030061 343236358 /nfs/dbraw/zinc/23/63/58/343236358.db2.gz KEYSKXRWIVJYLQ-QMMMGPOBSA-N 0 3 180.255 1.031 20 0 ADADHN Cc1nnc([C@H]2CCCN2)n1C1CC1 42031405 343236371 /nfs/dbraw/zinc/23/63/71/343236371.db2.gz ZZVIRDGMGCXUNC-SECBINFHSA-N 0 3 192.266 1.346 20 0 ADADHN CCn1c(C)nnc1[C@H]1CCCN1 42030064 343236639 /nfs/dbraw/zinc/23/66/39/343236639.db2.gz KEYSKXRWIVJYLQ-MRVPVSSYSA-N 0 3 180.255 1.031 20 0 ADADHN CC1(NCc2cc[nH]n2)CCCC1 42176848 343237428 /nfs/dbraw/zinc/23/74/28/343237428.db2.gz UONNGUSLMLJPFU-UHFFFAOYSA-N 0 3 179.267 1.832 20 0 ADADHN CC(C)[C@H](N)C(=O)NC1(C)CCCC1 42187913 343237870 /nfs/dbraw/zinc/23/78/70/343237870.db2.gz GMNNINAIORHKDF-VIFPVBQESA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)NC1(C)CCCC1 42188047 343238087 /nfs/dbraw/zinc/23/80/87/343238087.db2.gz YPTUNQHKEIXWQF-QMMMGPOBSA-N 0 3 184.283 1.173 20 0 ADADHN CCC(CC)CN(CC)CC(N)=O 42250304 343238802 /nfs/dbraw/zinc/23/88/02/343238802.db2.gz IHPRAMKCFCWAJK-UHFFFAOYSA-N 0 3 186.299 1.230 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1C 42273434 343239407 /nfs/dbraw/zinc/23/94/07/343239407.db2.gz BSDRBTOUUAULKS-KXUCPTDWSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1C 42273437 343239538 /nfs/dbraw/zinc/23/95/38/343239538.db2.gz BSDRBTOUUAULKS-LPEHRKFASA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1C 42273431 343239708 /nfs/dbraw/zinc/23/97/08/343239708.db2.gz BSDRBTOUUAULKS-GUBZILKMSA-N 0 3 198.310 1.371 20 0 ADADHN Cc1cccc(CN(C)C[C@H](C)O)c1 42307299 343240038 /nfs/dbraw/zinc/24/00/38/343240038.db2.gz DGLBDRVRNKBJTH-NSHDSACASA-N 0 3 193.290 1.808 20 0 ADADHN CCC1CCC(N(C)CC(N)=O)CC1 42324207 343240136 /nfs/dbraw/zinc/24/01/36/343240136.db2.gz UFQHFAYLXUCXER-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CCN(CCCO)Cc1ccco1 42337999 343240452 /nfs/dbraw/zinc/24/04/52/343240452.db2.gz XQANLCVLMIZLNO-UHFFFAOYSA-N 0 3 183.251 1.484 20 0 ADADHN Cc1cccc(CN(C)CCCO)c1 42338393 343240480 /nfs/dbraw/zinc/24/04/80/343240480.db2.gz JFBCEZBWEMCLLN-UHFFFAOYSA-N 0 3 193.290 1.809 20 0 ADADHN CNCc1cnn(CCC(C)C)c1 42439557 343242655 /nfs/dbraw/zinc/24/26/55/343242655.db2.gz XJYKWFVTWFIQCI-UHFFFAOYSA-N 0 3 181.283 1.649 20 0 ADADHN C[C@H](O)CN(C)Cc1ccc(F)cc1 42437068 343242585 /nfs/dbraw/zinc/24/25/85/343242585.db2.gz FTPMATRWCSOTEX-VIFPVBQESA-N 0 3 197.253 1.638 20 0 ADADHN CC[C@@H](O)CN(C)Cc1ccoc1 42448513 343243062 /nfs/dbraw/zinc/24/30/62/343243062.db2.gz JNDRQEADECZXNX-SNVBAGLBSA-N 0 3 183.251 1.482 20 0 ADADHN CC[C@H](O)CN(C)Cc1ccoc1C 42449692 343243080 /nfs/dbraw/zinc/24/30/80/343243080.db2.gz ICMAYZTVPLOZPN-NSHDSACASA-N 0 3 197.278 1.791 20 0 ADADHN CC[C@@H](O)CN(C)Cc1ccoc1C 42449694 343243216 /nfs/dbraw/zinc/24/32/16/343243216.db2.gz ICMAYZTVPLOZPN-LLVKDONJSA-N 0 3 197.278 1.791 20 0 ADADHN CN(CCCCO)Cc1ccoc1 42448503 343243426 /nfs/dbraw/zinc/24/34/26/343243426.db2.gz LCDZEZFCZSZUJQ-UHFFFAOYSA-N 0 3 183.251 1.484 20 0 ADADHN CC[C@H](O)CN(C)Cc1ccoc1 42448511 343243431 /nfs/dbraw/zinc/24/34/31/343243431.db2.gz JNDRQEADECZXNX-JTQLQIEISA-N 0 3 183.251 1.482 20 0 ADADHN C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H](C)N)C1 42476987 343244217 /nfs/dbraw/zinc/24/42/17/343244217.db2.gz HBRQIKFFDGRZQI-IVZWLZJFSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CCC[C@H](N(C)C(=O)[C@@H](C)N)C1 42476983 343244293 /nfs/dbraw/zinc/24/42/93/343244293.db2.gz HBRQIKFFDGRZQI-AEJSXWLSSA-N 0 3 198.310 1.371 20 0 ADADHN CNCC(=O)N(C)[C@@H]1CCC[C@H](C)C1 42494868 343244766 /nfs/dbraw/zinc/24/47/66/343244766.db2.gz SMFFUGDBRURTCO-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 42494926 343244872 /nfs/dbraw/zinc/24/48/72/343244872.db2.gz HBRQIKFFDGRZQI-KXUCPTDWSA-N 0 3 198.310 1.371 20 0 ADADHN CNCC(=O)N(C)[C@H]1CCC[C@H](C)C1 42494864 343245113 /nfs/dbraw/zinc/24/51/13/343245113.db2.gz SMFFUGDBRURTCO-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 42494922 343245148 /nfs/dbraw/zinc/24/51/48/343245148.db2.gz HBRQIKFFDGRZQI-UTLUCORTSA-N 0 3 198.310 1.371 20 0 ADADHN CNCC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 42494866 343245155 /nfs/dbraw/zinc/24/51/55/343245155.db2.gz SMFFUGDBRURTCO-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](NCc1nccn1C)C(C)C 42589095 343247901 /nfs/dbraw/zinc/24/79/01/343247901.db2.gz LEKGIPKKNYDXFU-SNVBAGLBSA-N 0 3 195.310 1.944 20 0 ADADHN C[C@H]1c2ccsc2CCN1CCO 42778357 343249274 /nfs/dbraw/zinc/24/92/74/343249274.db2.gz PDELOJYEWUIISH-QMMMGPOBSA-N 0 3 197.303 1.660 20 0 ADADHN C[C@@H](N)C(=O)NC[C@@H]1CCCC[C@H]1C 42868038 343250002 /nfs/dbraw/zinc/25/00/02/343250002.db2.gz ICIHLWMWSFCZTC-BBBLOLIVSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@@H](N)C(=O)NC[C@H]1CCCC[C@H]1C 42868033 343250165 /nfs/dbraw/zinc/25/01/65/343250165.db2.gz ICIHLWMWSFCZTC-OPRDCNLKSA-N 0 3 198.310 1.276 20 0 ADADHN Cc1c(F)cccc1NC(=O)[C@@H](C)N 43322032 343251094 /nfs/dbraw/zinc/25/10/94/343251094.db2.gz ZZXGMBXAAPYTLD-SSDOTTSWSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1c(F)cccc1NC(=O)[C@H](C)N 43322034 343251099 /nfs/dbraw/zinc/25/10/99/343251099.db2.gz ZZXGMBXAAPYTLD-ZETCQYMHSA-N 0 3 196.225 1.420 20 0 ADADHN CNCC(=O)Nc1cccc(F)c1C 43322036 343251548 /nfs/dbraw/zinc/25/15/48/343251548.db2.gz HVVBXUOAVGEACY-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN OCCCCN1CCO[C@@H]2CCC[C@@H]21 43426755 343252033 /nfs/dbraw/zinc/25/20/33/343252033.db2.gz FLZMZJIGIRYHAD-WDEREUQCSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@H](O)CCN(C)Cc1ccncc1 44134216 343260855 /nfs/dbraw/zinc/26/08/55/343260855.db2.gz YACJNFJZFJMMMU-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN Cc1n[nH]cc1CN[C@@H]1CC1(C)C 44370465 343264091 /nfs/dbraw/zinc/26/40/91/343264091.db2.gz QSQGDPQJCUDKRK-SECBINFHSA-N 0 3 179.267 1.606 20 0 ADADHN CC1(C)C[C@H]1NCc1ccncc1 44371219 343264147 /nfs/dbraw/zinc/26/41/47/343264147.db2.gz VKCCOVHMCNKQMF-SNVBAGLBSA-N 0 3 176.263 1.970 20 0 ADADHN Cc1n[nH]cc1CN[C@H]1CC1(C)C 44370470 343264153 /nfs/dbraw/zinc/26/41/53/343264153.db2.gz QSQGDPQJCUDKRK-VIFPVBQESA-N 0 3 179.267 1.606 20 0 ADADHN Cc1n[nH]c(C)c1CN[C@H]1CC1(C)C 44370460 343264179 /nfs/dbraw/zinc/26/41/79/343264179.db2.gz ALVVZGXJGPKUGM-JTQLQIEISA-N 0 3 193.294 1.915 20 0 ADADHN Cc1n[nH]c(C)c1CN[C@@H]1CC1(C)C 44370455 343264256 /nfs/dbraw/zinc/26/42/56/343264256.db2.gz ALVVZGXJGPKUGM-SNVBAGLBSA-N 0 3 193.294 1.915 20 0 ADADHN CC1(C)C[C@@H]1NCc1cccnc1 44371106 343264320 /nfs/dbraw/zinc/26/43/20/343264320.db2.gz CJKXBTAJKSQXSE-JTQLQIEISA-N 0 3 176.263 1.970 20 0 ADADHN CC1(C)C[C@@H]1NCc1ccncc1 44371214 343264347 /nfs/dbraw/zinc/26/43/47/343264347.db2.gz VKCCOVHMCNKQMF-JTQLQIEISA-N 0 3 176.263 1.970 20 0 ADADHN CC1(C)C[C@H]1NCc1ccccn1 44371092 343264370 /nfs/dbraw/zinc/26/43/70/343264370.db2.gz XEIKDKPNDMXHCS-SNVBAGLBSA-N 0 3 176.263 1.970 20 0 ADADHN CC1(C)C[C@H]1NCc1cccnc1 44371111 343264387 /nfs/dbraw/zinc/26/43/87/343264387.db2.gz CJKXBTAJKSQXSE-SNVBAGLBSA-N 0 3 176.263 1.970 20 0 ADADHN COC[C@@H](C)CNCc1ccco1 44478312 343266128 /nfs/dbraw/zinc/26/61/28/343266128.db2.gz NYKMTQOHNMYFPL-VIFPVBQESA-N 0 3 183.251 1.652 20 0 ADADHN COC[C@H](C)CNCc1ccco1 44478314 343266308 /nfs/dbraw/zinc/26/63/08/343266308.db2.gz NYKMTQOHNMYFPL-SECBINFHSA-N 0 3 183.251 1.652 20 0 ADADHN COC[C@@H](C)CNCc1ccc(C)o1 44478337 343266376 /nfs/dbraw/zinc/26/63/76/343266376.db2.gz LNDAALZJZJRIQD-VIFPVBQESA-N 0 3 197.278 1.960 20 0 ADADHN Cc1n[nH]cc1CNC1CCC1 44481840 343266667 /nfs/dbraw/zinc/26/66/67/343266667.db2.gz NKVHRTNYWHBUNJ-UHFFFAOYSA-N 0 3 165.240 1.360 20 0 ADADHN CCCNCc1nc(C)c(C)[nH]1 44652009 343267394 /nfs/dbraw/zinc/26/73/94/343267394.db2.gz BDGVZEMBVSYJOB-UHFFFAOYSA-N 0 3 167.256 1.526 20 0 ADADHN COCC[C@H](C)NCc1ccco1 45017211 343270192 /nfs/dbraw/zinc/27/01/92/343270192.db2.gz XGROXRVARQDMDV-VIFPVBQESA-N 0 3 183.251 1.794 20 0 ADADHN C[C@H](N)C(=O)NC1(C)CCCCC1 45046932 343270561 /nfs/dbraw/zinc/27/05/61/343270561.db2.gz SDOGIZKTPHEFLP-QMMMGPOBSA-N 0 3 184.283 1.173 20 0 ADADHN CC[C@H](N)C(=O)NC1(C)CCCCC1 45046990 343270605 /nfs/dbraw/zinc/27/06/05/343270605.db2.gz URQAFZWHPSEBKK-VIFPVBQESA-N 0 3 198.310 1.563 20 0 ADADHN CCn1ccnc1CNCC1CC1 45205659 343271622 /nfs/dbraw/zinc/27/16/22/343271622.db2.gz OLXUCFIPQPFKPX-UHFFFAOYSA-N 0 3 179.267 1.403 20 0 ADADHN CCCN1CCC(C(=O)OC)CC1 48068314 343273648 /nfs/dbraw/zinc/27/36/48/343273648.db2.gz NQPKQLSOJSFVFX-UHFFFAOYSA-N 0 3 185.267 1.281 20 0 ADADHN COC(=O)[C@@H](C)CN(C)CC=C(C)C 48336025 343273931 /nfs/dbraw/zinc/27/39/31/343273931.db2.gz KIROTGAGSYYQSC-JTQLQIEISA-N 0 3 199.294 1.694 20 0 ADADHN COC(=O)[C@H](C)CN(C)CC=C(C)C 48336027 343273964 /nfs/dbraw/zinc/27/39/64/343273964.db2.gz KIROTGAGSYYQSC-SNVBAGLBSA-N 0 3 199.294 1.694 20 0 ADADHN CC[C@@H](NCc1ncc[nH]1)C(C)C 49715701 343276521 /nfs/dbraw/zinc/27/65/21/343276521.db2.gz CGACFFATFOOCTO-SECBINFHSA-N 0 3 181.283 1.934 20 0 ADADHN CC[C@H](C)[C@@H](C)NCc1ncc[nH]1 49715691 343276546 /nfs/dbraw/zinc/27/65/46/343276546.db2.gz GBFWTBQUDTUHCE-DTWKUNHWSA-N 0 3 181.283 1.934 20 0 ADADHN CNCC(=O)N(C)c1cccc(C)c1 49989397 343277799 /nfs/dbraw/zinc/27/77/99/343277799.db2.gz OMOHOBLOQVZAHZ-UHFFFAOYSA-N 0 3 192.262 1.177 20 0 ADADHN CCCN(CC(=O)OC)C1CCCC1 50065740 343277806 /nfs/dbraw/zinc/27/78/06/343277806.db2.gz CVVNUWLNCRXJBW-UHFFFAOYSA-N 0 3 199.294 1.814 20 0 ADADHN Cc1cccc(N(C)C(=O)[C@@H](C)N)c1 49989288 343277815 /nfs/dbraw/zinc/27/78/15/343277815.db2.gz MKHSRWGFSYIOEE-SECBINFHSA-N 0 3 192.262 1.305 20 0 ADADHN Cc1cccc(N(C)C(=O)[C@H](C)N)c1 49989271 343277820 /nfs/dbraw/zinc/27/78/20/343277820.db2.gz MKHSRWGFSYIOEE-VIFPVBQESA-N 0 3 192.262 1.305 20 0 ADADHN CCc1ccc(CN(C)CCO)cc1 50104658 343278131 /nfs/dbraw/zinc/27/81/31/343278131.db2.gz MYTUZWOZJPVXHF-UHFFFAOYSA-N 0 3 193.290 1.673 20 0 ADADHN CCCN(CCO)Cc1cccnc1 50106295 343278262 /nfs/dbraw/zinc/27/82/62/343278262.db2.gz HLFSEVZOYIUEIF-UHFFFAOYSA-N 0 3 194.278 1.286 20 0 ADADHN CCCCOCCN(CC)CCO 50105322 343278276 /nfs/dbraw/zinc/27/82/76/343278276.db2.gz OENHDKQOUPXCLU-UHFFFAOYSA-N 0 3 189.299 1.117 20 0 ADADHN Cc1ccc(CN2CCC[C@@H]2CO)o1 50114240 343278292 /nfs/dbraw/zinc/27/82/92/343278292.db2.gz LNIRJUHWIUVFFV-SNVBAGLBSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccc(CN2CCC[C@H]2CO)o1 50114242 343278375 /nfs/dbraw/zinc/27/83/75/343278375.db2.gz LNIRJUHWIUVFFV-JTQLQIEISA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccc(CNC(=O)[C@@H](C)N)s1 50226574 343280179 /nfs/dbraw/zinc/28/01/79/343280179.db2.gz YJMMTRLNSDPFIU-SSDOTTSWSA-N 0 3 198.291 1.020 20 0 ADADHN CC1(NC(=O)[C@@H]2C[C@@H]2N)CCCCC1 50465470 343283186 /nfs/dbraw/zinc/28/31/86/343283186.db2.gz KOBFUGBAIMNCPB-BDAKNGLRSA-N 0 3 196.294 1.173 20 0 ADADHN Cc1cccc(NC(=O)[C@@H]2C[C@@H]2N)c1 50456462 343283216 /nfs/dbraw/zinc/28/32/16/343283216.db2.gz SZKZYPWSZXSNHJ-ZJUUUORDSA-N 0 3 190.246 1.281 20 0 ADADHN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 50456496 343283226 /nfs/dbraw/zinc/28/32/26/343283226.db2.gz ZBTYTWCDWNCNFJ-ZJUUUORDSA-N 0 3 190.246 1.281 20 0 ADADHN CC[C@H](C)CN1CCC[C@@H]1C(=O)OC 50428207 343283312 /nfs/dbraw/zinc/28/33/12/343283312.db2.gz XBWGJDWLWFCZBK-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN CCn1cc(CN[C@H]2CC2(C)C)cn1 50539801 343284017 /nfs/dbraw/zinc/28/40/17/343284017.db2.gz SNUDDHYKVNRGML-JTQLQIEISA-N 0 3 193.294 1.791 20 0 ADADHN CCn1cc(CN[C@@H](C)COC)cn1 50539363 343284060 /nfs/dbraw/zinc/28/40/60/343284060.db2.gz STYONTIRKIQOSO-VIFPVBQESA-N 0 3 197.282 1.028 20 0 ADADHN CCn1cc(CN[C@H](C)COC)cn1 50539364 343284063 /nfs/dbraw/zinc/28/40/63/343284063.db2.gz STYONTIRKIQOSO-SECBINFHSA-N 0 3 197.282 1.028 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C 50565663 343284818 /nfs/dbraw/zinc/28/48/18/343284818.db2.gz UFYGGADLMUHXDS-UTLUCORTSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C 50565661 343285010 /nfs/dbraw/zinc/28/50/10/343285010.db2.gz UFYGGADLMUHXDS-GUBZILKMSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CCCN1Cc1ccc(N)nc1 50791643 343285795 /nfs/dbraw/zinc/28/57/95/343285795.db2.gz XMIUFFAFYRVURT-VIFPVBQESA-N 0 3 191.278 1.648 20 0 ADADHN C[C@H]1CCN(Cc2ccc(N)nc2)C1 50814636 343286119 /nfs/dbraw/zinc/28/61/19/343286119.db2.gz JVIAHWQPQKZMSJ-VIFPVBQESA-N 0 3 191.278 1.506 20 0 ADADHN CN(Cc1ccc(N)nc1)C1CC1 50812659 343286306 /nfs/dbraw/zinc/28/63/06/343286306.db2.gz ZAEJTIAWHLURIC-UHFFFAOYSA-N 0 3 177.251 1.258 20 0 ADADHN C[C@H](O)[C@H](C)N1Cc2ccccc2C1 50911971 343286982 /nfs/dbraw/zinc/28/69/82/343286982.db2.gz VGWFRDKGYNTBBX-UWVGGRQHSA-N 0 3 191.274 1.772 20 0 ADADHN CC[C@H](O)CN1Cc2ccccc2C1 50911824 343287054 /nfs/dbraw/zinc/28/70/54/343287054.db2.gz NQPFVFORSUHOHG-LBPRGKRZSA-N 0 3 191.274 1.773 20 0 ADADHN C[C@@H]([C@@H](C)O)N1Cc2ccccc2C1 50911969 343287070 /nfs/dbraw/zinc/28/70/70/343287070.db2.gz VGWFRDKGYNTBBX-VHSXEESVSA-N 0 3 191.274 1.772 20 0 ADADHN C[C@@H](O)[C@@H](C)N1Cc2ccccc2C1 50911970 343287084 /nfs/dbraw/zinc/28/70/84/343287084.db2.gz VGWFRDKGYNTBBX-NXEZZACHSA-N 0 3 191.274 1.772 20 0 ADADHN CC[C@@H](O)CN1Cc2ccccc2C1 50911825 343287205 /nfs/dbraw/zinc/28/72/05/343287205.db2.gz NQPFVFORSUHOHG-GFCCVEGCSA-N 0 3 191.274 1.773 20 0 ADADHN C[C@H](O)[C@@H](C)N1Cc2ccccc2C1 50911972 343287211 /nfs/dbraw/zinc/28/72/11/343287211.db2.gz VGWFRDKGYNTBBX-ZJUUUORDSA-N 0 3 191.274 1.772 20 0 ADADHN CN(CCCCCO)Cc1ccco1 51019820 343287805 /nfs/dbraw/zinc/28/78/05/343287805.db2.gz KSTSIVFOKFXWJF-UHFFFAOYSA-N 0 3 197.278 1.874 20 0 ADADHN CC(=O)CN1CC[C@@H](C)C[C@H]1C 51733908 343292582 /nfs/dbraw/zinc/29/25/82/343292582.db2.gz WUFDYOQPUVVXFI-RKDXNWHRSA-N 0 3 169.268 1.696 20 0 ADADHN C[C@H](CO)NC/C=C/c1ccccc1 51789944 343293625 /nfs/dbraw/zinc/29/36/25/343293625.db2.gz PXOZGGJMJVUKHR-AYLMVEPYSA-N 0 3 191.274 1.670 20 0 ADADHN CCCCOCCN(C)C[C@H](C)O 51821963 343293997 /nfs/dbraw/zinc/29/39/97/343293997.db2.gz ISNVJKFDHIWNSA-JTQLQIEISA-N 0 3 189.299 1.116 20 0 ADADHN CCCCOCCN(C)C[C@@H](C)O 51821962 343294183 /nfs/dbraw/zinc/29/41/83/343294183.db2.gz ISNVJKFDHIWNSA-SNVBAGLBSA-N 0 3 189.299 1.116 20 0 ADADHN C[C@H](NC1CCC1)c1cnn(C)c1 52208952 343302139 /nfs/dbraw/zinc/30/21/39/343302139.db2.gz AGCWZJTWLCZQMI-QMMMGPOBSA-N 0 3 179.267 1.623 20 0 ADADHN Cc1n[nH]c(C)c1CNC1CCC1 52208036 343302198 /nfs/dbraw/zinc/30/21/98/343302198.db2.gz YFPJGPFSWYMKGW-UHFFFAOYSA-N 0 3 179.267 1.669 20 0 ADADHN Cc1nn(C)c(C)c1CNC1CCC1 52207638 343302223 /nfs/dbraw/zinc/30/22/23/343302223.db2.gz CDSHZRWDHZAZMU-UHFFFAOYSA-N 0 3 193.294 1.679 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)NC1CCC1 52210848 343302344 /nfs/dbraw/zinc/30/23/44/343302344.db2.gz SKTSTBIGSWSCDK-CBAPKCEASA-N 0 3 184.283 1.029 20 0 ADADHN CCn1cc(CNC2CCC2)cn1 52209510 343302395 /nfs/dbraw/zinc/30/23/95/343302395.db2.gz WTSNZHRTHLTUKZ-UHFFFAOYSA-N 0 3 179.267 1.545 20 0 ADADHN C[C@H](NC(=O)[C@@H](C)N)C1CCCCC1 52342191 343306239 /nfs/dbraw/zinc/30/62/39/343306239.db2.gz GXHNRJCYUYRTHO-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](NC(=O)CN)C1CCCCC1 52342195 343306233 /nfs/dbraw/zinc/30/62/33/343306233.db2.gz KXFYOECCYFTIAZ-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@H](N)C(=O)N[C@@H](C)C1CCCCC1 52342143 343306237 /nfs/dbraw/zinc/30/62/37/343306237.db2.gz GXHNRJCYUYRTHO-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)N(C)Cc1cccnc1N 52716830 343306411 /nfs/dbraw/zinc/30/64/11/343306411.db2.gz BWOOIOOXDXDWTM-UHFFFAOYSA-N 0 3 179.267 1.504 20 0 ADADHN CN(Cc1ccnc(N)c1)C1CC1 52718911 343306498 /nfs/dbraw/zinc/30/64/98/343306498.db2.gz CYVLVTAAPRNDMO-UHFFFAOYSA-N 0 3 177.251 1.258 20 0 ADADHN C[C@H]1CCCN1Cc1cccnc1N 52709413 343306564 /nfs/dbraw/zinc/30/65/64/343306564.db2.gz PPYHDANSBMSILX-VIFPVBQESA-N 0 3 191.278 1.648 20 0 ADADHN CCC(CC)(CO)NCc1ccco1 53046800 343312413 /nfs/dbraw/zinc/31/24/13/343312413.db2.gz JSQQIWKDYPJMQX-UHFFFAOYSA-N 0 3 197.278 1.920 20 0 ADADHN CCC(CC)(CO)NCc1ncc[nH]1 53066997 343312472 /nfs/dbraw/zinc/31/24/72/343312472.db2.gz KSSKDHCDNRDQIO-UHFFFAOYSA-N 0 3 197.282 1.050 20 0 ADADHN Cc1ccc(CN[C@@H]2CCC[C@H]2O)o1 53037700 343312511 /nfs/dbraw/zinc/31/25/11/343312511.db2.gz FSRSSHZEZSFNHL-GHMZBOCLSA-N 0 3 195.262 1.591 20 0 ADADHN CCC(CC)(CO)NCc1cc[nH]n1 53066189 343312592 /nfs/dbraw/zinc/31/25/92/343312592.db2.gz IMKJRQKUGGXIDW-UHFFFAOYSA-N 0 3 197.282 1.050 20 0 ADADHN COC[C@H](C)NCc1cccc(C)n1 53197439 343313208 /nfs/dbraw/zinc/31/32/08/343313208.db2.gz LDNYFWONRBAOOB-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN COC[C@@H](C)NCc1cccc(C)n1 53197440 343313246 /nfs/dbraw/zinc/31/32/46/343313246.db2.gz LDNYFWONRBAOOB-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN CCc1nc(CNC)sc1C 53294120 343313931 /nfs/dbraw/zinc/31/39/31/343313931.db2.gz HTVXQWGIRVEIKA-UHFFFAOYSA-N 0 3 170.281 1.733 20 0 ADADHN CCc1csc(CNC)n1 53294178 343314032 /nfs/dbraw/zinc/31/40/32/343314032.db2.gz XTQOMVGLHNDNTA-UHFFFAOYSA-N 0 3 156.254 1.425 20 0 ADADHN CC(C)N(C)CCNCc1ccco1 53344146 343314522 /nfs/dbraw/zinc/31/45/22/343314522.db2.gz PRJIHAZBSDOVSW-UHFFFAOYSA-N 0 3 196.294 1.709 20 0 ADADHN C[C@H]1CN(c2nccs2)C[C@@H](C)N1 53711635 343315057 /nfs/dbraw/zinc/31/50/57/343315057.db2.gz CFOYKGKGEAWYQG-OCAPTIKFSA-N 0 3 197.307 1.330 20 0 ADADHN CC(C)n1cnnc1[C@H]1CCCN1 54498221 343325297 /nfs/dbraw/zinc/32/52/97/343325297.db2.gz KRVSTJAGXILDNS-MRVPVSSYSA-N 0 3 180.255 1.284 20 0 ADADHN c1nnc([C@H]2CCCN2)n1C1CC1 54498416 343325304 /nfs/dbraw/zinc/32/53/04/343325304.db2.gz ZHAYQNLBSBFINK-MRVPVSSYSA-N 0 3 178.239 1.038 20 0 ADADHN c1nnc([C@@H]2CCCN2)n1C1CC1 54498415 343325417 /nfs/dbraw/zinc/32/54/17/343325417.db2.gz ZHAYQNLBSBFINK-QMMMGPOBSA-N 0 3 178.239 1.038 20 0 ADADHN CC(C)n1cnnc1[C@@H]1CCCN1 54498220 343325474 /nfs/dbraw/zinc/32/54/74/343325474.db2.gz KRVSTJAGXILDNS-QMMMGPOBSA-N 0 3 180.255 1.284 20 0 ADADHN CN(C)CCNc1ncccc1F 54700475 343327719 /nfs/dbraw/zinc/32/77/19/343327719.db2.gz NMJQSPKZGPSQAB-UHFFFAOYSA-N 0 3 183.230 1.194 20 0 ADADHN COCCn1cc(CNC(C)C)cn1 54719628 343328128 /nfs/dbraw/zinc/32/81/28/343328128.db2.gz MFPJXZYECWUCAR-UHFFFAOYSA-N 0 3 197.282 1.028 20 0 ADADHN CC(C)Cc1nccc(CN)n1 54791086 343329243 /nfs/dbraw/zinc/32/92/43/343329243.db2.gz YFTCVKKWCLNANV-UHFFFAOYSA-N 0 3 165.240 1.134 20 0 ADADHN Cc1cc(CN)nc(C(C)C)n1 54830722 343330221 /nfs/dbraw/zinc/33/02/21/343330221.db2.gz YNKJHOFREFLHFZ-UHFFFAOYSA-N 0 3 165.240 1.367 20 0 ADADHN Cc1cc(CN)nc(C(C)(C)C)n1 54830690 343330346 /nfs/dbraw/zinc/33/03/46/343330346.db2.gz WNDXGAUIJMCLHE-UHFFFAOYSA-N 0 3 179.267 1.541 20 0 ADADHN CCCCCNCc1cn(C)nn1 54858412 343330614 /nfs/dbraw/zinc/33/06/14/343330614.db2.gz QSHWHGPGJJDEJL-UHFFFAOYSA-N 0 3 182.271 1.095 20 0 ADADHN CCCNCc1cnc(N(C)C)nc1 54855845 343330625 /nfs/dbraw/zinc/33/06/25/343330625.db2.gz WUXMDAIIZCBAKG-UHFFFAOYSA-N 0 3 194.282 1.042 20 0 ADADHN CCC[C@H](CC)NCc1cn(C)nn1 54861118 343330719 /nfs/dbraw/zinc/33/07/19/343330719.db2.gz LMWMPTXKKLQXNG-VIFPVBQESA-N 0 3 196.298 1.483 20 0 ADADHN CCC[C@@H](CC)NCc1cn(C)nn1 54861115 343330786 /nfs/dbraw/zinc/33/07/86/343330786.db2.gz LMWMPTXKKLQXNG-SECBINFHSA-N 0 3 196.298 1.483 20 0 ADADHN CC(C)CCCNCc1cn(C)nn1 54860788 343330891 /nfs/dbraw/zinc/33/08/91/343330891.db2.gz FQDDDFRFZOBIOA-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN C[C@H](C(N)=O)N1CCCCCCC1 57407012 343336927 /nfs/dbraw/zinc/33/69/27/343336927.db2.gz NJTKSXIWOLIGQP-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN Cc1cc(N)nc(NC2CCCC2)n1 58824184 343341370 /nfs/dbraw/zinc/34/13/70/343341370.db2.gz UYEFVHXGUNVVCF-UHFFFAOYSA-N 0 3 192.266 1.722 20 0 ADADHN CCCCNc1nc(C)cc(N)n1 58824152 343341439 /nfs/dbraw/zinc/34/14/39/343341439.db2.gz PBWPEAUIWHHPPJ-UHFFFAOYSA-N 0 3 180.255 1.579 20 0 ADADHN CC(C)N1CCOC(C)(C)C1 59482738 343345088 /nfs/dbraw/zinc/34/50/88/343345088.db2.gz FGJHTYGNYQHFBF-UHFFFAOYSA-N 0 3 157.257 1.506 20 0 ADADHN CC1(C)CC(=O)N[C@H]2CCCC[C@H]2N1 59996674 343349481 /nfs/dbraw/zinc/34/94/81/343349481.db2.gz HERSNCSJFDWFTA-DTWKUNHWSA-N 0 3 196.294 1.186 20 0 ADADHN CC1(C)CC(=O)N[C@@H]2CCCC[C@H]2N1 59996673 343349551 /nfs/dbraw/zinc/34/95/51/343349551.db2.gz HERSNCSJFDWFTA-RKDXNWHRSA-N 0 3 196.294 1.186 20 0 ADADHN CC1(C)CC(=O)N[C@@H]2CCCC[C@@H]2N1 59996670 343349851 /nfs/dbraw/zinc/34/98/51/343349851.db2.gz HERSNCSJFDWFTA-BDAKNGLRSA-N 0 3 196.294 1.186 20 0 ADADHN CC1(C)CC(=O)N[C@H]2CCCC[C@@H]2N1 59996672 343349876 /nfs/dbraw/zinc/34/98/76/343349876.db2.gz HERSNCSJFDWFTA-IUCAKERBSA-N 0 3 196.294 1.186 20 0 ADADHN CCC1(C)CCN([C@H](C)C(N)=O)CC1 60941652 343354445 /nfs/dbraw/zinc/35/44/45/343354445.db2.gz OGRAYVHXFMKKKV-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC1(C)CCN([C@@H](C)C(N)=O)CC1 60941650 343354639 /nfs/dbraw/zinc/35/46/39/343354639.db2.gz OGRAYVHXFMKKKV-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN C1CCC(OC2CNC2)CC1 60999550 343354685 /nfs/dbraw/zinc/35/46/85/343354685.db2.gz UJAFXASIYDBMHE-UHFFFAOYSA-N 0 3 155.241 1.308 20 0 ADADHN Cc1cc(NC(=O)[C@@H](C)N)ccc1F 61119257 343355058 /nfs/dbraw/zinc/35/50/58/343355058.db2.gz XWXPEEWPVKILMI-SSDOTTSWSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1cc(NC(=O)[C@H](C)N)ccc1F 61119245 343355203 /nfs/dbraw/zinc/35/52/03/343355203.db2.gz XWXPEEWPVKILMI-ZETCQYMHSA-N 0 3 196.225 1.420 20 0 ADADHN CNCC(=O)Nc1ccc(F)c(C)c1 61119337 343355223 /nfs/dbraw/zinc/35/52/23/343355223.db2.gz UUEZVHQYEFQFAE-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN C[C@H](NC(=O)[C@@H](C)N)c1ccsc1 61366215 343356198 /nfs/dbraw/zinc/35/61/98/343356198.db2.gz AKAZSZSIUWOWDP-RQJHMYQMSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@H](N)C(=O)N[C@@H](C)c1ccsc1 61366170 343356236 /nfs/dbraw/zinc/35/62/36/343356236.db2.gz AKAZSZSIUWOWDP-BQBZGAKWSA-N 0 3 198.291 1.273 20 0 ADADHN C[C@H](N)C(=O)N[C@H](C)c1ccsc1 61366175 343356239 /nfs/dbraw/zinc/35/62/39/343356239.db2.gz AKAZSZSIUWOWDP-NKWVEPMBSA-N 0 3 198.291 1.273 20 0 ADADHN CC[C@H](C)CN(C)[C@@H](CC)C(N)=O 61679026 343358769 /nfs/dbraw/zinc/35/87/69/343358769.db2.gz XEMCDAIASFYFCB-IUCAKERBSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H]1CCCN([C@@H](CC)C(N)=O)C1 61679080 343358893 /nfs/dbraw/zinc/35/88/93/343358893.db2.gz MEYYAANKJMLEHS-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C(N)=O)N1CCC[C@@H](CC)C1 61679079 343359035 /nfs/dbraw/zinc/35/90/35/343359035.db2.gz MEYYAANKJMLEHS-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C(N)=O)N(C)C[C@H](C)CC 61679025 343359043 /nfs/dbraw/zinc/35/90/43/343359043.db2.gz XEMCDAIASFYFCB-BDAKNGLRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C(N)=O)N(C)CC(C)(C)C 61679472 343359439 /nfs/dbraw/zinc/35/94/39/343359439.db2.gz HERZSTOQVHDKRP-MRVPVSSYSA-N 0 3 186.299 1.228 20 0 ADADHN CCC1CCN([C@H](CC)C(N)=O)CC1 61679418 343359476 /nfs/dbraw/zinc/35/94/76/343359476.db2.gz GGFDTRKEBGGLOX-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C(N)=O)N(C)CCC(C)C 61679409 343359580 /nfs/dbraw/zinc/35/95/80/343359580.db2.gz SMGRCJNUDDXPGE-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C(N)=O)N(C)CCC(C)C 61679410 343359612 /nfs/dbraw/zinc/35/96/12/343359612.db2.gz SMGRCJNUDDXPGE-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C(N)=O)N(C)CC(C)(C)C 61679471 343359675 /nfs/dbraw/zinc/35/96/75/343359675.db2.gz HERZSTOQVHDKRP-QMMMGPOBSA-N 0 3 186.299 1.228 20 0 ADADHN CCC1CCN([C@@H](CC)C(N)=O)CC1 61679417 343359753 /nfs/dbraw/zinc/35/97/53/343359753.db2.gz GGFDTRKEBGGLOX-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN Cc1ccc(CN2CC[C@H](O)C2)o1 61707818 343361193 /nfs/dbraw/zinc/36/11/93/343361193.db2.gz PNZDDAXJGDOUEB-VIFPVBQESA-N 0 3 181.235 1.155 20 0 ADADHN CC(C)Oc1ccnc(C(=N)N)c1 61814525 343364052 /nfs/dbraw/zinc/36/40/52/343364052.db2.gz FNGXHISWLNCHPC-UHFFFAOYSA-N 0 3 179.223 1.153 20 0 ADADHN CC[C@H](N)C(=O)N1CCC(C)(C)CC1 61821087 343364330 /nfs/dbraw/zinc/36/43/30/343364330.db2.gz HBWWHVLVXAGWHB-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC(C)(C)CC1 61821088 343364390 /nfs/dbraw/zinc/36/43/90/343364390.db2.gz HBWWHVLVXAGWHB-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CC(=O)CN1CCC(C)(C)CC1 61820768 343364418 /nfs/dbraw/zinc/36/44/18/343364418.db2.gz UCCBVOAKCXFBKK-UHFFFAOYSA-N 0 3 169.268 1.697 20 0 ADADHN CC1(C)CCN(C(=O)C(C)(C)N)CC1 61820998 343364606 /nfs/dbraw/zinc/36/46/06/343364606.db2.gz FPZDYTGAAVFIOB-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)(C)CCNCc1cc[nH]n1 61839599 343364976 /nfs/dbraw/zinc/36/49/76/343364976.db2.gz SRWQLUQMIXUFCY-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN CN(CCNc1ccccn1)C1CC1 62010230 343369530 /nfs/dbraw/zinc/36/95/30/343369530.db2.gz TUXRCPKOTXXBGJ-UHFFFAOYSA-N 0 3 191.278 1.588 20 0 ADADHN COC[C@@H](C)NCc1ccoc1 62103269 343370689 /nfs/dbraw/zinc/37/06/89/343370689.db2.gz GQSMYVPENMNSEI-MRVPVSSYSA-N 0 3 169.224 1.404 20 0 ADADHN COC[C@H](C)NCc1ccoc1 62103268 343370805 /nfs/dbraw/zinc/37/08/05/343370805.db2.gz GQSMYVPENMNSEI-QMMMGPOBSA-N 0 3 169.224 1.404 20 0 ADADHN CCC(CC)[C@@H]1CNCCO1 62128514 343371696 /nfs/dbraw/zinc/37/16/96/343371696.db2.gz RBEAGKHPGPPBFB-VIFPVBQESA-N 0 3 157.257 1.411 20 0 ADADHN CCC(CC)[C@H]1CNCCO1 62128515 343371950 /nfs/dbraw/zinc/37/19/50/343371950.db2.gz RBEAGKHPGPPBFB-SECBINFHSA-N 0 3 157.257 1.411 20 0 ADADHN CCCCC(=O)N1C[C@@H](C)NC[C@@H]1C 62568091 343376000 /nfs/dbraw/zinc/37/60/00/343376000.db2.gz VTVFZDLMHFRNGN-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CCCCC(=O)N1C[C@H](C)NC[C@H]1C 62568093 343376055 /nfs/dbraw/zinc/37/60/55/343376055.db2.gz VTVFZDLMHFRNGN-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCCCC(=O)N1CCNC(C)(C)C1 62568145 343376112 /nfs/dbraw/zinc/37/61/12/343376112.db2.gz DOBRCQVKGQFOFO-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCC(=O)N1C[C@H](C)NC[C@@H]1C 62568089 343376174 /nfs/dbraw/zinc/37/61/74/343376174.db2.gz VTVFZDLMHFRNGN-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCCC(=O)N1CCN[C@@H](C(C)C)C1 62568154 343376446 /nfs/dbraw/zinc/37/64/46/343376446.db2.gz HRPXLTCYEVYWRS-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCCC(=O)N1CCN[C@H](C(C)C)C1 62568152 343376502 /nfs/dbraw/zinc/37/65/02/343376502.db2.gz HRPXLTCYEVYWRS-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H]1Oc2c(ccc(F)c2F)[C@H]1N 62611494 343377019 /nfs/dbraw/zinc/37/70/19/343377019.db2.gz BKBLOLZHKWEOLE-VHWMUFPASA-N 0 3 185.173 1.746 20 0 ADADHN CCn1cc([C@@H]2CCCCN2)cn1 62772414 343379325 /nfs/dbraw/zinc/37/93/25/343379325.db2.gz JCTINWVNRXVDRY-JTQLQIEISA-N 0 3 179.267 1.718 20 0 ADADHN CCn1cc([C@H]2CCCCN2)cn1 62772415 343379460 /nfs/dbraw/zinc/37/94/60/343379460.db2.gz JCTINWVNRXVDRY-SNVBAGLBSA-N 0 3 179.267 1.718 20 0 ADADHN Cc1ccc(COC2CNC2)o1 62809873 343380940 /nfs/dbraw/zinc/38/09/40/343380940.db2.gz CHGOELLUTPPXSQ-UHFFFAOYSA-N 0 3 167.208 1.076 20 0 ADADHN Fc1ccc(F)c(COC2CNC2)c1 62809976 343380988 /nfs/dbraw/zinc/38/09/88/343380988.db2.gz ANFARRUZPCTNFG-UHFFFAOYSA-N 0 3 199.200 1.453 20 0 ADADHN Cc1cc(C)cc(COC2CNC2)c1 62809946 343381037 /nfs/dbraw/zinc/38/10/37/343381037.db2.gz IPGVWDJCUFYWQW-UHFFFAOYSA-N 0 3 191.274 1.792 20 0 ADADHN c1cc(COC2CNC2)cs1 62809916 343381111 /nfs/dbraw/zinc/38/11/11/343381111.db2.gz BBKDGPZQIWQZLC-UHFFFAOYSA-N 0 3 169.249 1.237 20 0 ADADHN Fc1cccc(COC2CNC2)c1F 62809917 343381121 /nfs/dbraw/zinc/38/11/21/343381121.db2.gz SRLWXNDKWOKXJY-UHFFFAOYSA-N 0 3 199.200 1.453 20 0 ADADHN C1CCC(COC2CNC2)C1 62809953 343381161 /nfs/dbraw/zinc/38/11/61/343381161.db2.gz CKKYZFZREDGZPM-UHFFFAOYSA-N 0 3 155.241 1.165 20 0 ADADHN CC[C@H](C)COC1CNC1 62809931 343381168 /nfs/dbraw/zinc/38/11/68/343381168.db2.gz LKKVIUYWMAVSKA-ZETCQYMHSA-N 0 3 143.230 1.021 20 0 ADADHN COC(=O)NC[C@H](N)c1ccccc1 62838347 343383289 /nfs/dbraw/zinc/38/32/89/343383289.db2.gz AKKNEOXDVMLMDI-VIFPVBQESA-N 0 3 194.234 1.042 20 0 ADADHN CCOC[C@H](C)NCc1ccoc1 63047468 343398150 /nfs/dbraw/zinc/39/81/50/343398150.db2.gz BTNFPLZDBMKIBG-VIFPVBQESA-N 0 3 183.251 1.794 20 0 ADADHN CCOC[C@@H](C)NCc1ccoc1 63047467 343398160 /nfs/dbraw/zinc/39/81/60/343398160.db2.gz BTNFPLZDBMKIBG-SECBINFHSA-N 0 3 183.251 1.794 20 0 ADADHN O[C@@H]1CCCC[C@H]1NCc1ccoc1 63047495 343398347 /nfs/dbraw/zinc/39/83/47/343398347.db2.gz CZIDSVLKBGSOPB-GHMZBOCLSA-N 0 3 195.262 1.673 20 0 ADADHN Cc1cnc(NC[C@@H](C)N(C)C)nc1 63048696 343398770 /nfs/dbraw/zinc/39/87/70/343398770.db2.gz JRFREWBHXRQPTN-SECBINFHSA-N 0 3 194.282 1.147 20 0 ADADHN O[C@H]1CCC[C@@H]1NCc1ccsc1 63152912 343403012 /nfs/dbraw/zinc/40/30/12/343403012.db2.gz MBRNNAIUXVJLQK-UWVGGRQHSA-N 0 3 197.303 1.751 20 0 ADADHN C[C@H]1CN[C@H](Cc2ccccc2)CO1 63219489 343406465 /nfs/dbraw/zinc/40/64/65/343406465.db2.gz OLDFUGLZCZSWQC-CMPLNLGQSA-N 0 3 191.274 1.606 20 0 ADADHN Cc1cccc2c1[C@@H](N)CCO2 64034209 343406927 /nfs/dbraw/zinc/40/69/27/343406927.db2.gz DSSUVKQMJDZIDG-QMMMGPOBSA-N 0 3 163.220 1.777 20 0 ADADHN Cc1[nH]nc(C2CC2)c1CN 66135304 343409178 /nfs/dbraw/zinc/40/91/78/343409178.db2.gz XUVSZWHETGAVFE-UHFFFAOYSA-N 0 3 151.213 1.054 20 0 ADADHN CCCNC(=O)CN1CCCCCC1 66213126 343409439 /nfs/dbraw/zinc/40/94/39/343409439.db2.gz RRLBNWCOHPRNIW-UHFFFAOYSA-N 0 3 198.310 1.389 20 0 ADADHN CCNC(=O)CN(C)C1CCCCC1 66215890 343409485 /nfs/dbraw/zinc/40/94/85/343409485.db2.gz RPSFIUREAWCVAN-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN C[C@@H](CC(N)=O)NCc1cccs1 66147749 343409511 /nfs/dbraw/zinc/40/95/11/343409511.db2.gz LCOFVLIFGWHREN-ZETCQYMHSA-N 0 3 198.291 1.102 20 0 ADADHN CCCCNC(=O)CN(CC)CC 66212075 343409524 /nfs/dbraw/zinc/40/95/24/343409524.db2.gz GEZFSFHNPDZNNV-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN C[C@H](CC(N)=O)NCc1cccs1 66147752 343409542 /nfs/dbraw/zinc/40/95/42/343409542.db2.gz LCOFVLIFGWHREN-SSDOTTSWSA-N 0 3 198.291 1.102 20 0 ADADHN Cc1ccc2ccc(C(=N)N)nc2n1 67173624 343410369 /nfs/dbraw/zinc/41/03/69/343410369.db2.gz SHXKLGQJAJKEQD-UHFFFAOYSA-N 0 3 186.218 1.222 20 0 ADADHN CSCCNCc1cncs1 68996990 343419973 /nfs/dbraw/zinc/41/99/73/343419973.db2.gz PKCLXWQAYCYLJR-UHFFFAOYSA-N 0 3 188.321 1.596 20 0 ADADHN CSCCN[C@H](C)c1cnn(C)c1 68995190 343420007 /nfs/dbraw/zinc/42/00/07/343420007.db2.gz SINMQAAEZWPKDU-MRVPVSSYSA-N 0 3 199.323 1.434 20 0 ADADHN CSCCCNCc1ncc[nH]1 68998149 343420145 /nfs/dbraw/zinc/42/01/45/343420145.db2.gz DGRVUBZNRVTZQX-UHFFFAOYSA-N 0 3 185.296 1.252 20 0 ADADHN CSCCN[C@@H](C)c1cnn(C)c1 68995186 343420284 /nfs/dbraw/zinc/42/02/84/343420284.db2.gz SINMQAAEZWPKDU-QMMMGPOBSA-N 0 3 199.323 1.434 20 0 ADADHN CCn1cc(CNCCSC)cn1 69000761 343420559 /nfs/dbraw/zinc/42/05/59/343420559.db2.gz BBWZOPOMLMVTIV-UHFFFAOYSA-N 0 3 199.323 1.356 20 0 ADADHN CC(C)[C@@H](N)c1ccnn1C 69020527 343421521 /nfs/dbraw/zinc/42/15/21/343421521.db2.gz XOOPFCUAFYCHDZ-MRVPVSSYSA-N 0 3 153.229 1.076 20 0 ADADHN CC(C)[C@H](N)c1ccnn1C 69020523 343421726 /nfs/dbraw/zinc/42/17/26/343421726.db2.gz XOOPFCUAFYCHDZ-QMMMGPOBSA-N 0 3 153.229 1.076 20 0 ADADHN CCn1nccc1CNC1CC1 69049572 343424307 /nfs/dbraw/zinc/42/43/07/343424307.db2.gz DCUBHFBWXMFXSC-UHFFFAOYSA-N 0 3 165.240 1.155 20 0 ADADHN C[C@@H](OC1CNC1)c1ccccc1 69606149 343425796 /nfs/dbraw/zinc/42/57/96/343425796.db2.gz WOKPAFNDZHFZKA-SECBINFHSA-N 0 3 177.247 1.736 20 0 ADADHN C[C@H](OC1CNC1)c1ccccc1 69606148 343425911 /nfs/dbraw/zinc/42/59/11/343425911.db2.gz WOKPAFNDZHFZKA-VIFPVBQESA-N 0 3 177.247 1.736 20 0 ADADHN C[C@H](CC1CC1)NCc1cn(C)nn1 69662218 343431174 /nfs/dbraw/zinc/43/11/74/343431174.db2.gz OKYKWPVLTOXWHP-MRVPVSSYSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H](CC1CC1)NCc1cn(C)nn1 69662216 343431217 /nfs/dbraw/zinc/43/12/17/343431217.db2.gz OKYKWPVLTOXWHP-QMMMGPOBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H](CC1CC1)NCc1nccn1C 69662463 343431276 /nfs/dbraw/zinc/43/12/76/343431276.db2.gz ZJUGAPXIIUUCOP-VIFPVBQESA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H](CC1CC1)NCc1nccn1C 69662466 343431335 /nfs/dbraw/zinc/43/13/35/343431335.db2.gz ZJUGAPXIIUUCOP-SECBINFHSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H](CC1CC1)NCc1ncc[nH]1 69662557 343431429 /nfs/dbraw/zinc/43/14/29/343431429.db2.gz SBKVPJQVAQIVHB-QMMMGPOBSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H](CC1CC1)NCc1cc[nH]n1 69662433 343431442 /nfs/dbraw/zinc/43/14/42/343431442.db2.gz NJVBKKZZZVZNEA-QMMMGPOBSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H](CC1CC1)NCc1cc[nH]n1 69662438 343431489 /nfs/dbraw/zinc/43/14/89/343431489.db2.gz NJVBKKZZZVZNEA-MRVPVSSYSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H](CC1CC1)NCc1ncc[nH]1 69662561 343431531 /nfs/dbraw/zinc/43/15/31/343431531.db2.gz SBKVPJQVAQIVHB-MRVPVSSYSA-N 0 3 179.267 1.688 20 0 ADADHN CNCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 69677335 343431924 /nfs/dbraw/zinc/43/19/24/343431924.db2.gz RRVJDCQBPSDVSW-OPRDCNLKSA-N 0 3 198.310 1.147 20 0 ADADHN CNCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 69677340 343432009 /nfs/dbraw/zinc/43/20/09/343432009.db2.gz RRVJDCQBPSDVSW-IVZWLZJFSA-N 0 3 198.310 1.147 20 0 ADADHN C[C@H]1CSCCN1CCCCO 69761311 343439947 /nfs/dbraw/zinc/43/99/47/343439947.db2.gz JPOLHLKCMAYTQX-VIFPVBQESA-N 0 3 189.324 1.196 20 0 ADADHN C[C@@H]1CSCCN1CCCCO 69761310 343440132 /nfs/dbraw/zinc/44/01/32/343440132.db2.gz JPOLHLKCMAYTQX-SECBINFHSA-N 0 3 189.324 1.196 20 0 ADADHN CC(=O)CN1CCCC(C)(C)C1 69793567 343442192 /nfs/dbraw/zinc/44/21/92/343442192.db2.gz IOFZEYGUDPNJLR-UHFFFAOYSA-N 0 3 169.268 1.697 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC(C)(C)C1 69793920 343442300 /nfs/dbraw/zinc/44/23/00/343442300.db2.gz JCRZQPBKUDBUOG-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CN[C@@H](C)C(=O)N1CCCC(C)(C)C1 69793927 343442417 /nfs/dbraw/zinc/44/24/17/343442417.db2.gz NWONCEPZPRXMBR-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC1(C)CCCN(C(=O)C(C)(C)N)C1 69794105 343442508 /nfs/dbraw/zinc/44/25/08/343442508.db2.gz DKNZIXIJBZLZAD-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCC(C)(C)C1 69793922 343442537 /nfs/dbraw/zinc/44/25/37/343442537.db2.gz JCRZQPBKUDBUOG-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN Cc1ccc([C@@H]2[C@H](N)CCN2C)o1 69799110 343442912 /nfs/dbraw/zinc/44/29/12/343442912.db2.gz IMRKOCWZODTABB-SCZZXKLOSA-N 0 3 180.251 1.292 20 0 ADADHN Cc1ccc([C@H]2[C@H](N)CCN2C)o1 69799112 343442995 /nfs/dbraw/zinc/44/29/95/343442995.db2.gz IMRKOCWZODTABB-PSASIEDQSA-N 0 3 180.251 1.292 20 0 ADADHN Cc1ccc([C@H]2[C@@H](N)CCN2C)o1 69799116 343443002 /nfs/dbraw/zinc/44/30/02/343443002.db2.gz IMRKOCWZODTABB-WCBMZHEXSA-N 0 3 180.251 1.292 20 0 ADADHN Cc1ccc([C@@H]2[C@@H](N)CCN2C)o1 69799114 343443131 /nfs/dbraw/zinc/44/31/31/343443131.db2.gz IMRKOCWZODTABB-WPRPVWTQSA-N 0 3 180.251 1.292 20 0 ADADHN CCN1CC[C@H](N)[C@@H]1c1ccco1 69799694 343443287 /nfs/dbraw/zinc/44/32/87/343443287.db2.gz FPIHBFXUMDVSOM-WCBMZHEXSA-N 0 3 180.251 1.374 20 0 ADADHN CCN1CC[C@@H](N)[C@@H]1c1ccco1 69799696 343443296 /nfs/dbraw/zinc/44/32/96/343443296.db2.gz FPIHBFXUMDVSOM-PSASIEDQSA-N 0 3 180.251 1.374 20 0 ADADHN C[C@H]1C[C@H](NCc2ccco2)CCO1 69855699 343449890 /nfs/dbraw/zinc/44/98/90/343449890.db2.gz FCASVQVIUGOSIV-VHSXEESVSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H]1C[C@@H](NCc2ccco2)CCO1 69855703 343450496 /nfs/dbraw/zinc/45/04/96/343450496.db2.gz FCASVQVIUGOSIV-UWVGGRQHSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H]1C[C@@H](NCc2cc[nH]n2)CCO1 69889909 343450832 /nfs/dbraw/zinc/45/08/32/343450832.db2.gz RLLQHKHRVHHWEC-IUCAKERBSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1CCN[C@@H](c2cncnc2)C1 69940598 343456873 /nfs/dbraw/zinc/45/68/73/343456873.db2.gz HDBOMXHDZCHGRB-WCBMZHEXSA-N 0 3 177.251 1.537 20 0 ADADHN C[C@H]1CCN[C@H](c2cncnc2)C1 69940596 343456971 /nfs/dbraw/zinc/45/69/71/343456971.db2.gz HDBOMXHDZCHGRB-WPRPVWTQSA-N 0 3 177.251 1.537 20 0 ADADHN C[C@@H]1CCN[C@H](c2cncnc2)C1 69940595 343457065 /nfs/dbraw/zinc/45/70/65/343457065.db2.gz HDBOMXHDZCHGRB-SCZZXKLOSA-N 0 3 177.251 1.537 20 0 ADADHN C[C@@H]1CCN[C@@H](c2cncnc2)C1 69940597 343457100 /nfs/dbraw/zinc/45/71/00/343457100.db2.gz HDBOMXHDZCHGRB-PSASIEDQSA-N 0 3 177.251 1.537 20 0 ADADHN NCc1ccnc(-c2ccoc2)n1 69947131 343460432 /nfs/dbraw/zinc/46/04/32/343460432.db2.gz GGALIOQRCXYZQO-UHFFFAOYSA-N 0 3 175.191 1.195 20 0 ADADHN CSCCN[C@H](C)c1cnccn1 70025935 343467483 /nfs/dbraw/zinc/46/74/83/343467483.db2.gz VTRYMTZZOBLQFF-MRVPVSSYSA-N 0 3 197.307 1.490 20 0 ADADHN CSCCN[C@@H](C)c1cnccn1 70025932 343467691 /nfs/dbraw/zinc/46/76/91/343467691.db2.gz VTRYMTZZOBLQFF-QMMMGPOBSA-N 0 3 197.307 1.490 20 0 ADADHN CC[C@H](N)c1ccoc1 70079478 343473806 /nfs/dbraw/zinc/47/38/06/343473806.db2.gz OSAFTHIOPIVQPO-ZETCQYMHSA-N 0 3 125.171 1.689 20 0 ADADHN CC[C@@H](N)c1ccoc1 70079479 343473914 /nfs/dbraw/zinc/47/39/14/343473914.db2.gz OSAFTHIOPIVQPO-SSDOTTSWSA-N 0 3 125.171 1.689 20 0 ADADHN CSCCCNCc1ccnn1C 70125077 343474525 /nfs/dbraw/zinc/47/45/25/343474525.db2.gz OQNGITKFVSOLLT-UHFFFAOYSA-N 0 3 199.323 1.263 20 0 ADADHN Cc1ccc(CNCCCO)cc1F 70159257 343475518 /nfs/dbraw/zinc/47/55/18/343475518.db2.gz OIIGTZCFHXGXQD-UHFFFAOYSA-N 0 3 197.253 1.606 20 0 ADADHN CCC(=O)Nc1ccccc1CN 70162321 343476177 /nfs/dbraw/zinc/47/61/77/343476177.db2.gz NCFJVVHEEOVOGX-UHFFFAOYSA-N 0 3 178.235 1.494 20 0 ADADHN CSCCNCc1c(C)n[nH]c1C 70184926 343477077 /nfs/dbraw/zinc/47/70/77/343477077.db2.gz DSRCJCPQKWKWJB-UHFFFAOYSA-N 0 3 199.323 1.479 20 0 ADADHN CSCCNCc1cccc(O)c1 70184024 343477153 /nfs/dbraw/zinc/47/71/53/343477153.db2.gz CFNSPOLRGWQCTO-UHFFFAOYSA-N 0 3 197.303 1.845 20 0 ADADHN CSCCNCc1cccn1C 70184406 343477480 /nfs/dbraw/zinc/47/74/80/343477480.db2.gz PQTXXMQDYKJJSV-UHFFFAOYSA-N 0 3 184.308 1.478 20 0 ADADHN CSCCNCc1ccncc1 70184143 343477490 /nfs/dbraw/zinc/47/74/90/343477490.db2.gz OWAUOFFNCGXQCX-UHFFFAOYSA-N 0 3 182.292 1.534 20 0 ADADHN CSCCNCc1c[nH]nc1C 70184927 343477498 /nfs/dbraw/zinc/47/74/98/343477498.db2.gz WMSDIQVCRDFUDH-UHFFFAOYSA-N 0 3 185.296 1.171 20 0 ADADHN CNC(=O)c1ccc(CN(C)C)cc1 70186998 343477754 /nfs/dbraw/zinc/47/77/54/343477754.db2.gz SFQREWVLBMOYEU-UHFFFAOYSA-N 0 3 192.262 1.108 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccccc1O 70203962 343478745 /nfs/dbraw/zinc/47/87/45/343478745.db2.gz YDTBDYBZSLZUNQ-SSDOTTSWSA-N 0 3 194.234 1.068 20 0 ADADHN [NH3+]CCCC(=O)Nc1ccccc1[O-] 70203926 343478999 /nfs/dbraw/zinc/47/89/99/343478999.db2.gz QEFZQHXTJLQGCD-UHFFFAOYSA-N 0 3 194.234 1.070 20 0 ADADHN CC(=O)Nc1ccccc1CN(C)C 70226463 343481208 /nfs/dbraw/zinc/48/12/08/343481208.db2.gz FASRVVXTHYGOFM-UHFFFAOYSA-N 0 3 192.262 1.707 20 0 ADADHN CCC(=O)NCCN1CCCCCC1 70226268 343481419 /nfs/dbraw/zinc/48/14/19/343481419.db2.gz WCYLBCXWJGKSRQ-UHFFFAOYSA-N 0 3 198.310 1.389 20 0 ADADHN CC(=O)N(CCN(C)C)CC(C)C 70227623 343482673 /nfs/dbraw/zinc/48/26/73/343482673.db2.gz MZSJHBLKEUWWSN-UHFFFAOYSA-N 0 3 186.299 1.053 20 0 ADADHN CC(=O)N(CCN(C)C)C1CCCC1 70227707 343482807 /nfs/dbraw/zinc/48/28/07/343482807.db2.gz PAYAVADRHMTSKF-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCC(=O)N[C@H]1CCCN(CC)C1 70227555 343482900 /nfs/dbraw/zinc/48/29/00/343482900.db2.gz UUFNCMQULLCUCI-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCCC(=O)N[C@H]1CCN(C2CC2)C1 70228422 343483685 /nfs/dbraw/zinc/48/36/85/343483685.db2.gz ZUSXGDXCVRRSBB-VIFPVBQESA-N 0 3 196.294 1.139 20 0 ADADHN CCCC(=O)N[C@@H]1CCN(C2CC2)C1 70228421 343483720 /nfs/dbraw/zinc/48/37/20/343483720.db2.gz ZUSXGDXCVRRSBB-SECBINFHSA-N 0 3 196.294 1.139 20 0 ADADHN CCCN(CCN(C)C)C(=O)C1CC1 70228651 343484177 /nfs/dbraw/zinc/48/41/77/343484177.db2.gz WRZFRKJYESOVMQ-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CN(CCNC(=O)C(C)(C)C)C1CC1 70232506 343484212 /nfs/dbraw/zinc/48/42/12/343484212.db2.gz CGZOWQBXMFGBBL-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN(CCN(C)C)C(=O)CC 70228650 343484291 /nfs/dbraw/zinc/48/42/91/343484291.db2.gz VMVWPUJNARBSET-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN Cc1ccc(CNCC2(C)COC2)o1 70559448 343490202 /nfs/dbraw/zinc/49/02/02/343490202.db2.gz NGJJTVXBWVXTFX-UHFFFAOYSA-N 0 3 195.262 1.714 20 0 ADADHN CC1(CNCc2ccco2)COC1 70559464 343490331 /nfs/dbraw/zinc/49/03/31/343490331.db2.gz SZSXBGUNCZWQSF-UHFFFAOYSA-N 0 3 181.235 1.406 20 0 ADADHN CC(C)[C@H]1CCCN(CC(N)=O)CC1 70559841 343490882 /nfs/dbraw/zinc/49/08/82/343490882.db2.gz NIFOXOUOVQRTEN-JTQLQIEISA-N 0 3 198.310 1.230 20 0 ADADHN CC(C)[C@@H]1CCCN(CC(N)=O)CC1 70559840 343491035 /nfs/dbraw/zinc/49/10/35/343491035.db2.gz NIFOXOUOVQRTEN-SNVBAGLBSA-N 0 3 198.310 1.230 20 0 ADADHN CC[C@H]1CCCN([C@@H](C)C(N)=O)CC1 70609765 343502338 /nfs/dbraw/zinc/50/23/38/343502338.db2.gz HOYHBOYXNXJNOA-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H]1CCCN([C@@H](C)C(N)=O)CC1 70609764 343502483 /nfs/dbraw/zinc/50/24/83/343502483.db2.gz HOYHBOYXNXJNOA-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H]1CCCN(C(=O)[C@@H](C)N)CC1 70613353 343502880 /nfs/dbraw/zinc/50/28/80/343502880.db2.gz XZZLVONVEIZBKM-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H]1CCCN(C(=O)CNC)CC1 70613362 343502894 /nfs/dbraw/zinc/50/28/94/343502894.db2.gz CQIJAPXADHQCQW-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@@H]1CCCN(C(=O)[C@H](C)N)CC1 70613339 343503183 /nfs/dbraw/zinc/50/31/83/343503183.db2.gz XZZLVONVEIZBKM-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H]1CCCN(C(=O)[C@H](C)N)CC1 70613340 343503192 /nfs/dbraw/zinc/50/31/92/343503192.db2.gz XZZLVONVEIZBKM-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H]1CCCN(C(=O)CNC)CC1 70613361 343503206 /nfs/dbraw/zinc/50/32/06/343503206.db2.gz CQIJAPXADHQCQW-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)(C)CCNCc1ncc[nH]1 70621333 343504605 /nfs/dbraw/zinc/50/46/05/343504605.db2.gz YOXXEQLVXLDXIN-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN C[C@H]1CCN[C@@H](c2cnn(C)c2)C1 70621775 343505099 /nfs/dbraw/zinc/50/50/99/343505099.db2.gz FQLPYWHTYJJWPJ-WCBMZHEXSA-N 0 3 179.267 1.481 20 0 ADADHN CCC(CC)CNCc1ncc[nH]1 70621534 343505182 /nfs/dbraw/zinc/50/51/82/343505182.db2.gz JPIYLPSIPBJODI-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN C[C@H]1CCN[C@H](c2cnn(C)c2)C1 70621773 343505209 /nfs/dbraw/zinc/50/52/09/343505209.db2.gz FQLPYWHTYJJWPJ-WPRPVWTQSA-N 0 3 179.267 1.481 20 0 ADADHN C[C@@H]1CCN[C@@H](c2cnn(C)c2)C1 70621774 343505260 /nfs/dbraw/zinc/50/52/60/343505260.db2.gz FQLPYWHTYJJWPJ-PSASIEDQSA-N 0 3 179.267 1.481 20 0 ADADHN C[C@@H]1CCN[C@H](c2cnn(C)c2)C1 70621772 343505328 /nfs/dbraw/zinc/50/53/28/343505328.db2.gz FQLPYWHTYJJWPJ-SCZZXKLOSA-N 0 3 179.267 1.481 20 0 ADADHN CC[C@H](COC)NCc1cccn1C 70624994 343506645 /nfs/dbraw/zinc/50/66/45/343506645.db2.gz XUVOUOPFINBIBT-SNVBAGLBSA-N 0 3 196.294 1.540 20 0 ADADHN CC[C@H](COC)NCc1cccnc1 70623754 343506659 /nfs/dbraw/zinc/50/66/59/343506659.db2.gz OZZQRXJZNJLOCF-LLVKDONJSA-N 0 3 194.278 1.596 20 0 ADADHN CC[C@@H](COC)NCc1cccn1C 70624993 343506747 /nfs/dbraw/zinc/50/67/47/343506747.db2.gz XUVOUOPFINBIBT-JTQLQIEISA-N 0 3 196.294 1.540 20 0 ADADHN CCNCc1ccc(Cl)cn1 70624934 343506771 /nfs/dbraw/zinc/50/67/71/343506771.db2.gz WPZSIKKOLFOLGO-UHFFFAOYSA-N 0 3 170.643 1.845 20 0 ADADHN CC[C@@H](COC)NCc1cccnc1 70623753 343506850 /nfs/dbraw/zinc/50/68/50/343506850.db2.gz OZZQRXJZNJLOCF-NSHDSACASA-N 0 3 194.278 1.596 20 0 ADADHN C[C@H]1CCC[C@@H](c2cnn(C)c2)N1 70632739 343511325 /nfs/dbraw/zinc/51/13/25/343511325.db2.gz KELMFNBEBBWXGC-WPRPVWTQSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@H]1CCC[C@H](c2cnn(C)c2)N1 70632735 343511450 /nfs/dbraw/zinc/51/14/50/343511450.db2.gz KELMFNBEBBWXGC-WCBMZHEXSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H]1CCC[C@H](c2cnn(C)c2)N1 70632734 343511481 /nfs/dbraw/zinc/51/14/81/343511481.db2.gz KELMFNBEBBWXGC-PSASIEDQSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H]1CCC[C@@H](c2cnn(C)c2)N1 70632737 343511564 /nfs/dbraw/zinc/51/15/64/343511564.db2.gz KELMFNBEBBWXGC-SCZZXKLOSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@H]1CC[C@H](NCc2nc[nH]n2)C1 70643440 343514947 /nfs/dbraw/zinc/51/49/47/343514947.db2.gz BOALFKQHXHZAOW-YUMQZZPRSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@H]1CC[C@H](NCc2nnc[nH]2)C1 70643440 343514948 /nfs/dbraw/zinc/51/49/48/343514948.db2.gz BOALFKQHXHZAOW-YUMQZZPRSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2nc[nH]n2)C1 70643441 343514970 /nfs/dbraw/zinc/51/49/70/343514970.db2.gz BOALFKQHXHZAOW-HTQZYQBOSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2nnc[nH]2)C1 70643441 343514974 /nfs/dbraw/zinc/51/49/74/343514974.db2.gz BOALFKQHXHZAOW-HTQZYQBOSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@@H]1CC[C@H](NCc2nc[nH]n2)C1 70643439 343514993 /nfs/dbraw/zinc/51/49/93/343514993.db2.gz BOALFKQHXHZAOW-SFYZADRCSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@@H]1CC[C@H](NCc2nnc[nH]2)C1 70643439 343514996 /nfs/dbraw/zinc/51/49/96/343514996.db2.gz BOALFKQHXHZAOW-SFYZADRCSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@H]1CC[C@@H](NCc2nnc[nH]2)C1 70643442 343515081 /nfs/dbraw/zinc/51/50/81/343515081.db2.gz BOALFKQHXHZAOW-JGVFFNPUSA-N 0 3 180.255 1.083 20 0 ADADHN C[C@H]1CC[C@H](NCc2ncc[nH]2)C1 70646373 343517410 /nfs/dbraw/zinc/51/74/10/343517410.db2.gz IKOFJGKISDMENZ-IUCAKERBSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H]1CC[C@@H](NCc2ncc[nH]2)C1 70646375 343517640 /nfs/dbraw/zinc/51/76/40/343517640.db2.gz IKOFJGKISDMENZ-DTWKUNHWSA-N 0 3 179.267 1.688 20 0 ADADHN CC[C@@](C)(CO)NCc1ccccn1 70710556 343526472 /nfs/dbraw/zinc/52/64/72/343526472.db2.gz LHNPDTRAMPETKP-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@](C)(CO)NCc1ccccn1 70710557 343526528 /nfs/dbraw/zinc/52/65/28/343526528.db2.gz LHNPDTRAMPETKP-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN OC1CN(CC2CCCCC2)C1 70798102 343532116 /nfs/dbraw/zinc/53/21/16/343532116.db2.gz DYJPSTOCKUZDBB-UHFFFAOYSA-N 0 3 169.268 1.243 20 0 ADADHN C[C@@H]1Oc2c(F)ccc(F)c2[C@@H]1N 70819675 343532665 /nfs/dbraw/zinc/53/26/65/343532665.db2.gz LVSIZSUERKSSLQ-RNHFCUEFSA-N 0 3 185.173 1.746 20 0 ADADHN C[C@@H]1Oc2c(F)ccc(F)c2[C@H]1N 70819671 343532856 /nfs/dbraw/zinc/53/28/56/343532856.db2.gz LVSIZSUERKSSLQ-NVNXEXLPSA-N 0 3 185.173 1.746 20 0 ADADHN C[C@H]1Oc2c(F)ccc(F)c2[C@H]1N 70819670 343532957 /nfs/dbraw/zinc/53/29/57/343532957.db2.gz LVSIZSUERKSSLQ-VHWMUFPASA-N 0 3 185.173 1.746 20 0 ADADHN C[C@H]1Oc2c(F)ccc(F)c2[C@@H]1N 70819673 343532996 /nfs/dbraw/zinc/53/29/96/343532996.db2.gz LVSIZSUERKSSLQ-SPGJFGJESA-N 0 3 185.173 1.746 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1C 70834230 343535509 /nfs/dbraw/zinc/53/55/09/343535509.db2.gz VOLYUIAZUSKUSN-OPRDCNLKSA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1C 70834234 343535527 /nfs/dbraw/zinc/53/55/27/343535527.db2.gz VOLYUIAZUSKUSN-IVZWLZJFSA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C 70834476 343535608 /nfs/dbraw/zinc/53/56/08/343535608.db2.gz GBJPFZMQRADTFA-XHNCKOQMSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1C 70834478 343535726 /nfs/dbraw/zinc/53/57/26/343535726.db2.gz GBJPFZMQRADTFA-DJLDLDEBSA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@H]1C 70834224 343535737 /nfs/dbraw/zinc/53/57/37/343535737.db2.gz VOLYUIAZUSKUSN-KXUCPTDWSA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1C 70834482 343535746 /nfs/dbraw/zinc/53/57/46/343535746.db2.gz GBJPFZMQRADTFA-YIZRAAEISA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C 70834481 343535813 /nfs/dbraw/zinc/53/58/13/343535813.db2.gz GBJPFZMQRADTFA-CIUDSAMLSA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1C 70834228 343535825 /nfs/dbraw/zinc/53/58/25/343535825.db2.gz VOLYUIAZUSKUSN-LPEHRKFASA-N 0 3 198.310 1.275 20 0 ADADHN O[C@@H](CNCc1ccco1)C1CC1 70880117 343537989 /nfs/dbraw/zinc/53/79/89/343537989.db2.gz DSEOTOJVAXQSMN-JTQLQIEISA-N 0 3 181.235 1.140 20 0 ADADHN O[C@H](CNCc1ccsc1)C1CC1 70880227 343538157 /nfs/dbraw/zinc/53/81/57/343538157.db2.gz XJGVIKJATXMXOY-SNVBAGLBSA-N 0 3 197.303 1.609 20 0 ADADHN O[C@H](CNCc1ccco1)C1CC1 70880122 343538169 /nfs/dbraw/zinc/53/81/69/343538169.db2.gz DSEOTOJVAXQSMN-SNVBAGLBSA-N 0 3 181.235 1.140 20 0 ADADHN Cc1ccc(CNC[C@H](O)C2CC2)o1 70880131 343538246 /nfs/dbraw/zinc/53/82/46/343538246.db2.gz FFZJTTGXQUSSKN-NSHDSACASA-N 0 3 195.262 1.449 20 0 ADADHN Cc1ccc(CNC[C@@H](O)C2CC2)o1 70880135 343538284 /nfs/dbraw/zinc/53/82/84/343538284.db2.gz FFZJTTGXQUSSKN-LLVKDONJSA-N 0 3 195.262 1.449 20 0 ADADHN CC[C@](C)(CO)NCc1ccc(C)o1 70899286 343540211 /nfs/dbraw/zinc/54/02/11/343540211.db2.gz MLHSIRGDMTWRCA-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@](C)(CO)NCc1ccsc1 70898378 343540510 /nfs/dbraw/zinc/54/05/10/343540510.db2.gz NLDVLAVPZTTZKG-SNVBAGLBSA-N 0 3 199.319 1.999 20 0 ADADHN CC[C@@](C)(CO)NCc1ccco1 70898335 343540362 /nfs/dbraw/zinc/54/03/62/343540362.db2.gz CEPZIYOSKMTORW-JTQLQIEISA-N 0 3 183.251 1.530 20 0 ADADHN CC[C@](C)(CO)NCc1ccco1 70898342 343540426 /nfs/dbraw/zinc/54/04/26/343540426.db2.gz CEPZIYOSKMTORW-SNVBAGLBSA-N 0 3 183.251 1.530 20 0 ADADHN CC[C@@](C)(CO)NCc1ccsc1 70898372 343540439 /nfs/dbraw/zinc/54/04/39/343540439.db2.gz NLDVLAVPZTTZKG-JTQLQIEISA-N 0 3 199.319 1.999 20 0 ADADHN CC[C@@](C)(CO)NCc1ccc(C)o1 70899281 343540528 /nfs/dbraw/zinc/54/05/28/343540528.db2.gz MLHSIRGDMTWRCA-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN OC[C@@H]1CCCN1CCC(F)(F)F 70916131 343541885 /nfs/dbraw/zinc/54/18/85/343541885.db2.gz XGVBSDAKXCAFDB-ZETCQYMHSA-N 0 3 197.200 1.396 20 0 ADADHN C[C@@H](O)CN(C)CCC(F)(F)F 70916138 343541915 /nfs/dbraw/zinc/54/19/15/343541915.db2.gz QHBIKQMKROBFNK-ZCFIWIBFSA-N 0 3 185.189 1.251 20 0 ADADHN OC[C@H]1CCCN1CCC(F)(F)F 70916129 343542024 /nfs/dbraw/zinc/54/20/24/343542024.db2.gz XGVBSDAKXCAFDB-SSDOTTSWSA-N 0 3 197.200 1.396 20 0 ADADHN C[C@H](O)CN(C)CCC(F)(F)F 70916134 343542106 /nfs/dbraw/zinc/54/21/06/343542106.db2.gz QHBIKQMKROBFNK-LURJTMIESA-N 0 3 185.189 1.251 20 0 ADADHN Cc1cnc([C@@H]2CCCN2)nc1 70947392 343542590 /nfs/dbraw/zinc/54/25/90/343542590.db2.gz NHDJSHPCTZIOAJ-QMMMGPOBSA-N 0 3 163.224 1.210 20 0 ADADHN Cc1cnc([C@H]2CCCN2)nc1 70947394 343542596 /nfs/dbraw/zinc/54/25/96/343542596.db2.gz NHDJSHPCTZIOAJ-MRVPVSSYSA-N 0 3 163.224 1.210 20 0 ADADHN CC[C@](C)(N)c1ncc(C)cn1 70948752 343543167 /nfs/dbraw/zinc/54/31/67/343543167.db2.gz MELMNDPJHFKNEP-VIFPVBQESA-N 0 3 165.240 1.369 20 0 ADADHN CC[C@@](C)(N)c1ncc(C)cn1 70948756 343543127 /nfs/dbraw/zinc/54/31/27/343543127.db2.gz MELMNDPJHFKNEP-SECBINFHSA-N 0 3 165.240 1.369 20 0 ADADHN CC[C@](C)(N)c1nccc(C)n1 70948800 343543493 /nfs/dbraw/zinc/54/34/93/343543493.db2.gz VBHRPHKLLVTUBI-VIFPVBQESA-N 0 3 165.240 1.369 20 0 ADADHN CC[C@H](N)C(=O)Nc1cnccc1C 70959333 343544786 /nfs/dbraw/zinc/54/47/86/343544786.db2.gz TWERDXWVRZZQDF-QMMMGPOBSA-N 0 3 193.250 1.066 20 0 ADADHN Cc1ccc(CN[C@H]2CCOC2)cc1 70964136 343545147 /nfs/dbraw/zinc/54/51/47/343545147.db2.gz OXVWLARXAOEQFD-LBPRGKRZSA-N 0 3 191.274 1.874 20 0 ADADHN C[C@H](N[C@@H]1CCOC1)c1ccncc1 70964321 343545165 /nfs/dbraw/zinc/54/51/65/343545165.db2.gz LMUPGHNWXDTURM-GXSJLCMTSA-N 0 3 192.262 1.521 20 0 ADADHN Cc1ccc(CN[C@@H]2CCOC2)cc1 70964134 343545221 /nfs/dbraw/zinc/54/52/21/343545221.db2.gz OXVWLARXAOEQFD-GFCCVEGCSA-N 0 3 191.274 1.874 20 0 ADADHN Cc1cccc(CN[C@H]2CCOC2)c1 70964653 343545315 /nfs/dbraw/zinc/54/53/15/343545315.db2.gz IFDRHECMFKDHTD-LBPRGKRZSA-N 0 3 191.274 1.874 20 0 ADADHN C[C@H](N[C@H]1CCOC1)c1ccncc1 70964328 343545363 /nfs/dbraw/zinc/54/53/63/343545363.db2.gz LMUPGHNWXDTURM-ONGXEEELSA-N 0 3 192.262 1.521 20 0 ADADHN Cc1ncc(CN[C@@H]2CCOC2)s1 70968269 343545613 /nfs/dbraw/zinc/54/56/13/343545613.db2.gz YAULPKYYASAAHP-MRVPVSSYSA-N 0 3 198.291 1.330 20 0 ADADHN Cc1ncc(CN[C@H]2CCOC2)s1 70968275 343545625 /nfs/dbraw/zinc/54/56/25/343545625.db2.gz YAULPKYYASAAHP-QMMMGPOBSA-N 0 3 198.291 1.330 20 0 ADADHN Cc1cc(Cl)nc(C(=N)N)c1 71186689 343551238 /nfs/dbraw/zinc/55/12/38/343551238.db2.gz XSWFRFAINPXQRP-UHFFFAOYSA-N 0 3 169.615 1.327 20 0 ADADHN C[C@H](N)C1=NCc2ccccc2N1 71372347 343552439 /nfs/dbraw/zinc/55/24/39/343552439.db2.gz GIMMXJVVWMBWRY-ZETCQYMHSA-N 0 3 175.235 1.167 20 0 ADADHN CC(C)[C@@H]1COC[C@H](C)N1 71495329 343554073 /nfs/dbraw/zinc/55/40/73/343554073.db2.gz ARTXVIBUURRJFU-YUMQZZPRSA-N 0 3 143.230 1.019 20 0 ADADHN CC(C)[C@@H]1COC[C@@H](C)N1 71495328 343554101 /nfs/dbraw/zinc/55/41/01/343554101.db2.gz ARTXVIBUURRJFU-SFYZADRCSA-N 0 3 143.230 1.019 20 0 ADADHN CC(C)[C@H]1COC[C@@H](C)N1 71495326 343554108 /nfs/dbraw/zinc/55/41/08/343554108.db2.gz ARTXVIBUURRJFU-HTQZYQBOSA-N 0 3 143.230 1.019 20 0 ADADHN CC(C)[C@H]1COC[C@H](C)N1 71495327 343554168 /nfs/dbraw/zinc/55/41/68/343554168.db2.gz ARTXVIBUURRJFU-JGVFFNPUSA-N 0 3 143.230 1.019 20 0 ADADHN CCCCC(=O)N1CCN[C@@H](C)[C@@H]1C 71507739 343555647 /nfs/dbraw/zinc/55/56/47/343555647.db2.gz LBXQHNGNGVWWOV-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCCCC(=O)N1CCN[C@@H](C)[C@H]1C 71507741 343555660 /nfs/dbraw/zinc/55/56/60/343555660.db2.gz LBXQHNGNGVWWOV-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCCCC(=O)N1CCN[C@H](C)[C@@H]1C 71507738 343555957 /nfs/dbraw/zinc/55/59/57/343555957.db2.gz LBXQHNGNGVWWOV-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN Cc1ccc(F)cc1[C@@H](N)CO 72197317 343560452 /nfs/dbraw/zinc/56/04/52/343560452.db2.gz WGTMOFGBEDUOSH-VIFPVBQESA-N 0 3 169.199 1.126 20 0 ADADHN Cc1ccc(F)cc1[C@H](N)CO 72197316 343560597 /nfs/dbraw/zinc/56/05/97/343560597.db2.gz WGTMOFGBEDUOSH-SECBINFHSA-N 0 3 169.199 1.126 20 0 ADADHN Cc1ccc([C@H](N)CO)c(Cl)c1 72197566 343560937 /nfs/dbraw/zinc/56/09/37/343560937.db2.gz KUUZGJDTKWZPKE-SECBINFHSA-N 0 3 185.654 1.641 20 0 ADADHN Cc1cccc([C@@H](N)CN)c1F 72200042 343561073 /nfs/dbraw/zinc/56/10/73/343561073.db2.gz UCBVBBIYJNGPHW-QMMMGPOBSA-N 0 3 168.215 1.093 20 0 ADADHN Cc1ccc([C@@H](N)CN)c(F)c1 72200040 343561136 /nfs/dbraw/zinc/56/11/36/343561136.db2.gz MJCDFDBMSULHNE-VIFPVBQESA-N 0 3 168.215 1.093 20 0 ADADHN Cc1cccc([C@H](N)CN)c1F 72200041 343561426 /nfs/dbraw/zinc/56/14/26/343561426.db2.gz UCBVBBIYJNGPHW-MRVPVSSYSA-N 0 3 168.215 1.093 20 0 ADADHN Cc1ccc([C@H](N)CN)c(F)c1 72200039 343561528 /nfs/dbraw/zinc/56/15/28/343561528.db2.gz MJCDFDBMSULHNE-SECBINFHSA-N 0 3 168.215 1.093 20 0 ADADHN CCn1nc(C(F)(F)F)cc1CN 72226104 343566659 /nfs/dbraw/zinc/56/66/59/343566659.db2.gz UAXRLCMVDVPTPV-UHFFFAOYSA-N 0 3 193.172 1.381 20 0 ADADHN NCc1cc(Cc2ccccc2)ncn1 74215032 343571528 /nfs/dbraw/zinc/57/15/28/343571528.db2.gz NTHJGPBZXJQRRO-UHFFFAOYSA-N 0 3 199.257 1.526 20 0 ADADHN Cc1cccc(-c2cc(CN)ncn2)c1 74215025 343571737 /nfs/dbraw/zinc/57/17/37/343571737.db2.gz AJNYCRKQARCWLN-UHFFFAOYSA-N 0 3 199.257 1.911 20 0 ADADHN NCc1cc2cc[nH]c2cc1F 74340428 343572148 /nfs/dbraw/zinc/57/21/48/343572148.db2.gz ZLMSEAFFNZAZJK-UHFFFAOYSA-N 0 3 164.183 1.766 20 0 ADADHN CCCC(=O)N(C)CCN1CCCC1 74917584 343574659 /nfs/dbraw/zinc/57/46/59/343574659.db2.gz ZZRKUCUZLCUXHI-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CC(C)C(=O)N(C)CCN1CCCC1 74917586 343574952 /nfs/dbraw/zinc/57/49/52/343574952.db2.gz BWXXAKNGPBWEMT-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CNC(=O)c1ccccc1CN(C)C 75852471 343578624 /nfs/dbraw/zinc/57/86/24/343578624.db2.gz LQGXDIHZUPFJPS-UHFFFAOYSA-N 0 3 192.262 1.108 20 0 ADADHN CC(C)c1n[nH]c2c1CCNC2 76595253 343580230 /nfs/dbraw/zinc/58/02/30/343580230.db2.gz WHZFRXMNXMNTSG-UHFFFAOYSA-N 0 3 165.240 1.179 20 0 ADADHN CC(C)c1[nH]nc2c1CCNC2 76595253 343580232 /nfs/dbraw/zinc/58/02/32/343580232.db2.gz WHZFRXMNXMNTSG-UHFFFAOYSA-N 0 3 165.240 1.179 20 0 ADADHN CCCN1[C@@H](C)COC[C@H]1C 77951753 343581611 /nfs/dbraw/zinc/58/16/11/343581611.db2.gz BVYXZTRYBZAZCX-DTORHVGOSA-N 0 3 157.257 1.506 20 0 ADADHN CCN(Cc1ccno1)CC(C)(C)O 78747470 343584689 /nfs/dbraw/zinc/58/46/89/343584689.db2.gz KOVAKFNUCJHUDK-UHFFFAOYSA-N 0 3 198.266 1.267 20 0 ADADHN C[C@H](O)CCNCc1cccc(F)c1 78782034 343584902 /nfs/dbraw/zinc/58/49/02/343584902.db2.gz HHAKDIBLTNYSFC-VIFPVBQESA-N 0 3 197.253 1.686 20 0 ADADHN C[C@H](O)CCNCc1ccsc1 78780486 343585063 /nfs/dbraw/zinc/58/50/63/343585063.db2.gz KTKOYDLTXJJYNX-QMMMGPOBSA-N 0 3 185.292 1.609 20 0 ADADHN Cc1ccc(CNCC[C@@H](C)O)o1 78781002 343585084 /nfs/dbraw/zinc/58/50/84/343585084.db2.gz QXGFVIAQJSNQQP-MRVPVSSYSA-N 0 3 183.251 1.449 20 0 ADADHN Cc1ccc(CNCC[C@H](C)O)o1 78781009 343585122 /nfs/dbraw/zinc/58/51/22/343585122.db2.gz QXGFVIAQJSNQQP-QMMMGPOBSA-N 0 3 183.251 1.449 20 0 ADADHN C[C@H](O)CCNCc1cccc(O)c1 78782040 343585127 /nfs/dbraw/zinc/58/51/27/343585127.db2.gz ZFQRFSDVQRXYCE-VIFPVBQESA-N 0 3 195.262 1.253 20 0 ADADHN Cc1noc(C)c1CNCC[C@H](C)O 78780239 343585238 /nfs/dbraw/zinc/58/52/38/343585238.db2.gz FQAIJOBPYZGUBN-ZETCQYMHSA-N 0 3 198.266 1.152 20 0 ADADHN C[C@H](O)CCNCc1ccco1 78780465 343585365 /nfs/dbraw/zinc/58/53/65/343585365.db2.gz NGVBKVGLBXANGQ-QMMMGPOBSA-N 0 3 169.224 1.140 20 0 ADADHN CNC[C@H](F)Cc1ccccc1 79132808 343586915 /nfs/dbraw/zinc/58/69/15/343586915.db2.gz XSOZNORFSLDSEB-SNVBAGLBSA-N 0 3 167.227 1.787 20 0 ADADHN CNC[C@@H](F)Cc1ccccc1 79132809 343587109 /nfs/dbraw/zinc/58/71/09/343587109.db2.gz XSOZNORFSLDSEB-JTQLQIEISA-N 0 3 167.227 1.787 20 0 ADADHN CCCCNc1cc(N)nc(C)n1 79718657 343589770 /nfs/dbraw/zinc/58/97/70/343589770.db2.gz MFJFJJXODWDNEJ-UHFFFAOYSA-N 0 3 180.255 1.579 20 0 ADADHN CSCCCNCc1cncn1C 80122116 343591299 /nfs/dbraw/zinc/59/12/99/343591299.db2.gz HGNREEPCACBLPJ-UHFFFAOYSA-N 0 3 199.323 1.263 20 0 ADADHN CCN(CCO)Cc1cccc(C)n1 80961133 343592288 /nfs/dbraw/zinc/59/22/88/343592288.db2.gz RMYGJMAWSFNNBU-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN OC[C@@H]1CCN(CCC(F)(F)F)C1 80947073 343592553 /nfs/dbraw/zinc/59/25/53/343592553.db2.gz XJEHJUGAIVLLCK-SSDOTTSWSA-N 0 3 197.200 1.253 20 0 ADADHN OC[C@H]1CCN(CCC(F)(F)F)C1 80947075 343592609 /nfs/dbraw/zinc/59/26/09/343592609.db2.gz XJEHJUGAIVLLCK-ZETCQYMHSA-N 0 3 197.200 1.253 20 0 ADADHN CCCC(=O)N(C)[C@@H]1CCCN(C)C1 81561280 343593380 /nfs/dbraw/zinc/59/33/80/343593380.db2.gz DIOCJAZSLRLJMF-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN OCc1ccc(CNCC2CCC2)o1 81554117 343593467 /nfs/dbraw/zinc/59/34/67/343593467.db2.gz FFZIDSPPUBOZNO-UHFFFAOYSA-N 0 3 195.262 1.662 20 0 ADADHN CC(C)NCc1ccc(CO)o1 81546721 343593554 /nfs/dbraw/zinc/59/35/54/343593554.db2.gz GYECIWNIJXXIBQ-UHFFFAOYSA-N 0 3 169.224 1.270 20 0 ADADHN CCCCNCc1ccc(CO)o1 81546794 343593600 /nfs/dbraw/zinc/59/36/00/343593600.db2.gz MDIRJFFEZSBBPA-UHFFFAOYSA-N 0 3 183.251 1.662 20 0 ADADHN CC1(C)C[C@@H]1NCc1ccc(CO)o1 81555898 343593629 /nfs/dbraw/zinc/59/36/29/343593629.db2.gz GNJZTUJBSZMQBT-JTQLQIEISA-N 0 3 195.262 1.660 20 0 ADADHN CCCC(=O)N(C)[C@H]1CCCN(C)C1 81561283 343593648 /nfs/dbraw/zinc/59/36/48/343593648.db2.gz DIOCJAZSLRLJMF-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CN(CCCO)CCC(F)(F)F 82238561 343596448 /nfs/dbraw/zinc/59/64/48/343596448.db2.gz IUXQOQCPASFWQU-UHFFFAOYSA-N 0 3 185.189 1.253 20 0 ADADHN COC(=O)CN1CCC[C@@H]1C(C)C 82238295 343596466 /nfs/dbraw/zinc/59/64/66/343596466.db2.gz WZOFYQMKKKSHOK-SECBINFHSA-N 0 3 185.267 1.280 20 0 ADADHN CCOC(=O)CN1CCC[C@H]1C(C)C 82238293 343596526 /nfs/dbraw/zinc/59/65/26/343596526.db2.gz VPISVRGFABURFP-JTQLQIEISA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)CN1CCC[C@@H]1C(C)C 82238292 343596669 /nfs/dbraw/zinc/59/66/69/343596669.db2.gz VPISVRGFABURFP-SNVBAGLBSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)CN1CCC[C@H]1C(C)C 82238294 343596688 /nfs/dbraw/zinc/59/66/88/343596688.db2.gz WZOFYQMKKKSHOK-VIFPVBQESA-N 0 3 185.267 1.280 20 0 ADADHN CCC(O)(CC)CNCc1ccco1 82263657 343597109 /nfs/dbraw/zinc/59/71/09/343597109.db2.gz PERZWDOHVRNKDN-UHFFFAOYSA-N 0 3 197.278 1.920 20 0 ADADHN CCN(CC)C(=O)[C@@H]1CCCCN1C 82322146 343599110 /nfs/dbraw/zinc/59/91/10/343599110.db2.gz PKKWPYFRLHOJNE-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCN(CC)C(=O)[C@H]1CCCCN1C 82322147 343599216 /nfs/dbraw/zinc/59/92/16/343599216.db2.gz PKKWPYFRLHOJNE-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@@H](C(N)=O)N(C)CC1CCCC1 82384119 343599375 /nfs/dbraw/zinc/59/93/75/343599375.db2.gz SHCAGAVOICFVNC-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C(N)=O)N(C)CC1CCCC1 82384121 343599385 /nfs/dbraw/zinc/59/93/85/343599385.db2.gz SHCAGAVOICFVNC-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CCCC(=O)NC[C@H]1CCCN(C)C1 82375805 343599519 /nfs/dbraw/zinc/59/95/19/343599519.db2.gz FBCPJROQBUSZFA-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)C(=O)NC[C@@H]1CCCN(C)C1 82375802 343599562 /nfs/dbraw/zinc/59/95/62/343599562.db2.gz IWRNQSXLSIHDTL-JTQLQIEISA-N 0 3 198.310 1.100 20 0 ADADHN CCCC(=O)NC[C@@H]1CCCN(C)C1 82375804 343599737 /nfs/dbraw/zinc/59/97/37/343599737.db2.gz FBCPJROQBUSZFA-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CCC(=O)N1CC[C@@H](N2CCCC2)C1 82389364 343599973 /nfs/dbraw/zinc/59/99/73/343599973.db2.gz RXNDTVLYZHEHDU-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN Cc1nc(CN)cc(C2CCCC2)n1 82389283 343600246 /nfs/dbraw/zinc/60/02/46/343600246.db2.gz SNXHFNVLGJVIOX-UHFFFAOYSA-N 0 3 191.278 1.901 20 0 ADADHN CCC(=O)N1CC[C@H](N2CCCC2)C1 82389363 343600251 /nfs/dbraw/zinc/60/02/51/343600251.db2.gz RXNDTVLYZHEHDU-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN Cc1nc(CN)cc(-c2ccco2)n1 82391002 343600333 /nfs/dbraw/zinc/60/03/33/343600333.db2.gz DOAKZEGLCSBBCW-UHFFFAOYSA-N 0 3 189.218 1.504 20 0 ADADHN Cc1nc(CN)cc(C(C)(C)C)n1 82396948 343600583 /nfs/dbraw/zinc/60/05/83/343600583.db2.gz OZIDJMVXFUKKNG-UHFFFAOYSA-N 0 3 179.267 1.541 20 0 ADADHN Cc1nc(CN)cc(CC(C)C)n1 82396949 343600843 /nfs/dbraw/zinc/60/08/43/343600843.db2.gz OBEVHGFUVHSBCO-UHFFFAOYSA-N 0 3 179.267 1.442 20 0 ADADHN Cc1nc(CN)cc(C(C)C)n1 82403374 343601140 /nfs/dbraw/zinc/60/11/40/343601140.db2.gz TXYSVMXZVRJJCX-UHFFFAOYSA-N 0 3 165.240 1.367 20 0 ADADHN CC(C)Cc1cc(CN)ncn1 82403376 343601351 /nfs/dbraw/zinc/60/13/51/343601351.db2.gz BBEOBKFQFIQPLK-UHFFFAOYSA-N 0 3 165.240 1.134 20 0 ADADHN NCc1cc(-c2ccco2)ncn1 82399180 343601394 /nfs/dbraw/zinc/60/13/94/343601394.db2.gz KLZMBOKKCJPFDN-UHFFFAOYSA-N 0 3 175.191 1.195 20 0 ADADHN C[C@H]1Cc2nc[nH]c2[C@@H](C)N1 82407947 343602469 /nfs/dbraw/zinc/60/24/69/343602469.db2.gz IILAXZULSWKXQZ-NTSWFWBYSA-N 0 3 151.213 1.005 20 0 ADADHN Cc1nc(CN)cc(C2CC2)n1 82404524 343602063 /nfs/dbraw/zinc/60/20/63/343602063.db2.gz IHIYAZYZKZRYJU-UHFFFAOYSA-N 0 3 163.224 1.121 20 0 ADADHN C[C@H]1Cc2nc[nH]c2[C@H](C)N1 82407945 343602702 /nfs/dbraw/zinc/60/27/02/343602702.db2.gz IILAXZULSWKXQZ-WDSKDSINSA-N 0 3 151.213 1.005 20 0 ADADHN CN(CCCCO)CCC(F)(F)F 82416090 343602901 /nfs/dbraw/zinc/60/29/01/343602901.db2.gz RQTZNOGTJKXYNR-UHFFFAOYSA-N 0 3 199.216 1.643 20 0 ADADHN CN(CCC(F)(F)F)CC(C)(C)O 82419195 343603240 /nfs/dbraw/zinc/60/32/40/343603240.db2.gz PUKMGPQUWFPTFS-UHFFFAOYSA-N 0 3 199.216 1.642 20 0 ADADHN Cc1noc(C)c1CNCC(C)(C)O 82419199 343603896 /nfs/dbraw/zinc/60/38/96/343603896.db2.gz OWKSIWRKJFLPKC-UHFFFAOYSA-N 0 3 198.266 1.152 20 0 ADADHN Cc1ncccc1CNC1CC1 82420283 343603904 /nfs/dbraw/zinc/60/39/04/343603904.db2.gz XWBBWFOKNUMXBL-UHFFFAOYSA-N 0 3 162.236 1.642 20 0 ADADHN C[C@@H](CNCc1nccs1)N(C)C 82432847 343604096 /nfs/dbraw/zinc/60/40/96/343604096.db2.gz GTNNBLVEOYCNCL-QMMMGPOBSA-N 0 3 199.323 1.183 20 0 ADADHN C[C@H](CNCc1nccs1)N(C)C 82432848 343604150 /nfs/dbraw/zinc/60/41/50/343604150.db2.gz GTNNBLVEOYCNCL-MRVPVSSYSA-N 0 3 199.323 1.183 20 0 ADADHN Cc1ccc(CN[C@@H](C)CO)cc1F 82503418 343605032 /nfs/dbraw/zinc/60/50/32/343605032.db2.gz DBWXFOUGFCBQNR-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(CNC[C@H](C)O)cc1F 82503417 343605063 /nfs/dbraw/zinc/60/50/63/343605063.db2.gz YEAMDTBJNAYPDX-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(CN[C@H](C)CO)cc1F 82503420 343605145 /nfs/dbraw/zinc/60/51/45/343605145.db2.gz DBWXFOUGFCBQNR-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(CNC[C@@H](C)O)cc1F 82503416 343605218 /nfs/dbraw/zinc/60/52/18/343605218.db2.gz YEAMDTBJNAYPDX-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(CNCCO)cc1F 82503402 343605231 /nfs/dbraw/zinc/60/52/31/343605231.db2.gz TVFZAZHADMLUID-UHFFFAOYSA-N 0 3 183.226 1.216 20 0 ADADHN CCn1c(CNC)nc2cccnc21 82583495 343606980 /nfs/dbraw/zinc/60/69/80/343606980.db2.gz FKODMGYGMNIVJL-UHFFFAOYSA-N 0 3 190.250 1.171 20 0 ADADHN NC1CN(C(=O)CC2CCCCC2)C1 82590401 343607209 /nfs/dbraw/zinc/60/72/09/343607209.db2.gz KUNJIWIYILEHCF-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CCCC[C@@H](CC)C(=O)N1CC(N)C1 82590404 343607285 /nfs/dbraw/zinc/60/72/85/343607285.db2.gz HNOBBFZQUNCWIE-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CCCC[C@H](CC)C(=O)N1CC(N)C1 82590405 343607293 /nfs/dbraw/zinc/60/72/93/343607293.db2.gz HNOBBFZQUNCWIE-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)Oc1ccc(N)c(CN)c1 82635025 343608528 /nfs/dbraw/zinc/60/85/28/343608528.db2.gz YOCOMLNHULFAJC-UHFFFAOYSA-N 0 3 180.251 1.515 20 0 ADADHN Cc1[nH]nc(C(C)C)c1CN 82631918 343608580 /nfs/dbraw/zinc/60/85/80/343608580.db2.gz QLKIJSPMKKNAHQ-UHFFFAOYSA-N 0 3 153.229 1.300 20 0 ADADHN CCc1cc(CN)cs1 82631600 343608638 /nfs/dbraw/zinc/60/86/38/343608638.db2.gz QXXXWSZQOSBYKB-UHFFFAOYSA-N 0 3 141.239 1.769 20 0 ADADHN OC1(CNCc2ccco2)CCCC1 82687287 343610155 /nfs/dbraw/zinc/61/01/55/343610155.db2.gz ODFUAIHWJAHUEM-UHFFFAOYSA-N 0 3 195.262 1.674 20 0 ADADHN CC[C@](C)(O)CNCc1ccc(C)o1 82687273 343610200 /nfs/dbraw/zinc/61/02/00/343610200.db2.gz KJLCOKLQMUTOJG-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@](C)(O)CNCc1ccncc1 82687208 343610207 /nfs/dbraw/zinc/61/02/07/343610207.db2.gz SMOFEDLSFGNWIO-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@](C)(O)CNCc1ccsc1 82687209 343610211 /nfs/dbraw/zinc/61/02/11/343610211.db2.gz CRQZEYJDZKPGIA-JTQLQIEISA-N 0 3 199.319 1.999 20 0 ADADHN CC[C@@](C)(O)CNCc1cccnc1 82687200 343610217 /nfs/dbraw/zinc/61/02/17/343610217.db2.gz JRLWYPGTBAPHFZ-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@](C)(O)CNCc1ccccn1 82687181 343610221 /nfs/dbraw/zinc/61/02/21/343610221.db2.gz ZIBOKXSQCOHLCN-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@@](C)(O)CNCc1ccccn1 82687182 343610234 /nfs/dbraw/zinc/61/02/34/343610234.db2.gz ZIBOKXSQCOHLCN-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@@](C)(O)CNCc1ccco1 82687146 343610244 /nfs/dbraw/zinc/61/02/44/343610244.db2.gz OVTYBQDGXBYZEC-SNVBAGLBSA-N 0 3 183.251 1.530 20 0 ADADHN CC1(CNCc2ccoc2)COC1 82694294 343610775 /nfs/dbraw/zinc/61/07/75/343610775.db2.gz NBUYTTMMZSLIHB-UHFFFAOYSA-N 0 3 181.235 1.406 20 0 ADADHN C[C@H](NCc1cccnc1)C(C)(C)O 82717390 343611372 /nfs/dbraw/zinc/61/13/72/343611372.db2.gz GAOGCIIRLKUZNC-VIFPVBQESA-N 0 3 194.278 1.331 20 0 ADADHN C[C@H](NCc1ccncc1)C(C)(C)O 82717436 343611463 /nfs/dbraw/zinc/61/14/63/343611463.db2.gz QSCYDONQXFUCFB-VIFPVBQESA-N 0 3 194.278 1.331 20 0 ADADHN C[C@H](NCc1ccsc1)C(C)(C)O 82717495 343611506 /nfs/dbraw/zinc/61/15/06/343611506.db2.gz XQJZXJAWAHVINU-QMMMGPOBSA-N 0 3 199.319 1.997 20 0 ADADHN C[C@H](NCc1ccccn1)C(C)(C)O 82718583 343611617 /nfs/dbraw/zinc/61/16/17/343611617.db2.gz UUZJZUTYRFZUTA-VIFPVBQESA-N 0 3 194.278 1.331 20 0 ADADHN Cc1ccc(CN[C@@H](C)C(C)(C)O)o1 82717491 343611661 /nfs/dbraw/zinc/61/16/61/343611661.db2.gz IRGHCSVRYAEZBK-VIFPVBQESA-N 0 3 197.278 1.837 20 0 ADADHN C[C@H](NCc1ccco1)C(C)(C)O 82717404 343611683 /nfs/dbraw/zinc/61/16/83/343611683.db2.gz RSISQBKTGZVZDT-QMMMGPOBSA-N 0 3 183.251 1.529 20 0 ADADHN CCOC(=O)[C@@H](CC)N1CC[C@H](C)C1 82761047 343611806 /nfs/dbraw/zinc/61/18/06/343611806.db2.gz YVSZLFPBYJYARZ-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN CC(C)[C@H](C)NCc1ccc(CO)o1 82738094 343611847 /nfs/dbraw/zinc/61/18/47/343611847.db2.gz FFJMBAFXTHNAQP-VIFPVBQESA-N 0 3 197.278 1.906 20 0 ADADHN CC(C)[C@@H](C)NCc1ccc(CO)o1 82738093 343611859 /nfs/dbraw/zinc/61/18/59/343611859.db2.gz FFJMBAFXTHNAQP-SECBINFHSA-N 0 3 197.278 1.906 20 0 ADADHN CCOC(=O)[C@H](CC)N1CC[C@H](C)C1 82761046 343611865 /nfs/dbraw/zinc/61/18/65/343611865.db2.gz YVSZLFPBYJYARZ-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)[C@@H](CC)N1CCC[C@@H]1C 82761041 343611915 /nfs/dbraw/zinc/61/19/15/343611915.db2.gz CEVBBSNUENKCIE-VHSXEESVSA-N 0 3 199.294 1.812 20 0 ADADHN C[C@@H](NCc1ccc(CO)o1)C1CC1 82738096 343611988 /nfs/dbraw/zinc/61/19/88/343611988.db2.gz LVDDVGZMPGYYQC-MRVPVSSYSA-N 0 3 195.262 1.660 20 0 ADADHN CC(C)(C)CNCc1ccc(CO)o1 82738112 343612135 /nfs/dbraw/zinc/61/21/35/343612135.db2.gz IDNQBIYXBLWXJE-UHFFFAOYSA-N 0 3 197.278 1.908 20 0 ADADHN C[C@H](NCc1ccc(CO)o1)C1CC1 82738095 343612139 /nfs/dbraw/zinc/61/21/39/343612139.db2.gz LVDDVGZMPGYYQC-QMMMGPOBSA-N 0 3 195.262 1.660 20 0 ADADHN CCN(Cc1ccccn1)C[C@H](C)O 82784333 343612369 /nfs/dbraw/zinc/61/23/69/343612369.db2.gz QRTJQLVXACUDHX-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN CCN(Cc1ccccn1)C[C@@H](C)O 82784332 343612618 /nfs/dbraw/zinc/61/26/18/343612618.db2.gz QRTJQLVXACUDHX-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN Cc1nc(C2(N)CC2)cs1 82843693 343613527 /nfs/dbraw/zinc/61/35/27/343613527.db2.gz HLMUHKCQLFKHHD-UHFFFAOYSA-N 0 3 154.238 1.399 20 0 ADADHN Cc1c[nH]c(C2(N)CCC2)n1 82841074 343613628 /nfs/dbraw/zinc/61/36/28/343613628.db2.gz WTYNCUBFOBLVGW-UHFFFAOYSA-N 0 3 151.213 1.056 20 0 ADADHN CC1CCC(n2cc(CN)nn2)CC1 82856240 343613974 /nfs/dbraw/zinc/61/39/74/343613974.db2.gz SCVFBMMILQOPJO-UHFFFAOYSA-N 0 3 194.282 1.488 20 0 ADADHN Cc1cc(C2(N)CCCC2)on1 82852206 343614099 /nfs/dbraw/zinc/61/40/99/343614099.db2.gz AROQYHWSGFJBCS-UHFFFAOYSA-N 0 3 166.224 1.711 20 0 ADADHN NCc1cc2cncnc2s1 82851443 343614129 /nfs/dbraw/zinc/61/41/29/343614129.db2.gz PCFKEXSYFDGJCM-UHFFFAOYSA-N 0 3 165.221 1.150 20 0 ADADHN Cc1ccc2cc(CN)[nH]c2n1 82850327 343614157 /nfs/dbraw/zinc/61/41/57/343614157.db2.gz SPONECNXMYHSGS-UHFFFAOYSA-N 0 3 161.208 1.330 20 0 ADADHN Cc1noc(C2(CN)CCCC2)n1 82874177 343614732 /nfs/dbraw/zinc/61/47/32/343614732.db2.gz VMGGGEQKKIJCAD-UHFFFAOYSA-N 0 3 181.239 1.149 20 0 ADADHN C[C@H](NCC[C@@H](C)O)c1ccncc1 82992917 343615506 /nfs/dbraw/zinc/61/55/06/343615506.db2.gz FDZGWXHRXZOPQU-ZJUUUORDSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](O)CCN[C@@H](C)c1ccco1 82993177 343615523 /nfs/dbraw/zinc/61/55/23/343615523.db2.gz VMZPPPZUAFJNOS-IUCAKERBSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](O)CCN[C@@H](C)c1cccnc1 82992757 343615622 /nfs/dbraw/zinc/61/56/22/343615622.db2.gz LDAMOGOCKUFACU-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](NCC[C@@H](C)O)c1cccnc1 82992758 343615626 /nfs/dbraw/zinc/61/56/26/343615626.db2.gz LDAMOGOCKUFACU-ZJUUUORDSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](O)CCN[C@H](C)c1ccccn1 82992748 343615685 /nfs/dbraw/zinc/61/56/85/343615685.db2.gz LTYGZSLJXOMUJE-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](O)CCN[C@@H](C)c1ccccn1 82992744 343615689 /nfs/dbraw/zinc/61/56/89/343615689.db2.gz LTYGZSLJXOMUJE-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](O)CCNCc1cncs1 82994136 343616114 /nfs/dbraw/zinc/61/61/14/343616114.db2.gz ZQNMKAXTNIQKRP-ZETCQYMHSA-N 0 3 186.280 1.004 20 0 ADADHN C[C@H](NCC[C@@H](C)O)c1ccco1 82993179 343615811 /nfs/dbraw/zinc/61/58/11/343615811.db2.gz VMZPPPZUAFJNOS-BDAKNGLRSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](O)CCN[C@@H](C)c1ccncc1 82992915 343615840 /nfs/dbraw/zinc/61/58/40/343615840.db2.gz FDZGWXHRXZOPQU-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](NCC[C@@H](C)O)c1ccccn1 82992746 343615869 /nfs/dbraw/zinc/61/58/69/343615869.db2.gz LTYGZSLJXOMUJE-ZJUUUORDSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@H](O)CCN[C@H](C)c1ccco1 82993181 343615874 /nfs/dbraw/zinc/61/58/74/343615874.db2.gz VMZPPPZUAFJNOS-DTWKUNHWSA-N 0 3 183.251 1.701 20 0 ADADHN C[C@H](O)CCN[C@H](C)c1ccncc1 82992919 343615884 /nfs/dbraw/zinc/61/58/84/343615884.db2.gz FDZGWXHRXZOPQU-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN c1cc(CNC(C2CC2)C2CC2)no1 83119674 343616582 /nfs/dbraw/zinc/61/65/82/343616582.db2.gz QQERFYFEOHCNDB-UHFFFAOYSA-N 0 3 192.262 1.953 20 0 ADADHN C[C@H](O)[C@H]1NCc2ccccc21 83389210 343619318 /nfs/dbraw/zinc/61/93/18/343619318.db2.gz DLLYWUKJZXFACG-OIBJUYFYSA-N 0 3 163.220 1.212 20 0 in-vitro ADADHN C[C@H](O)[C@@H]1NCc2ccccc21 83389212 343619459 /nfs/dbraw/zinc/61/94/59/343619459.db2.gz DLLYWUKJZXFACG-XVKPBYJWSA-N 0 3 163.220 1.212 20 0 in-vitro ADADHN Cc1cc(C(C)C)c(CN)c(=O)[nH]1 83428702 343619781 /nfs/dbraw/zinc/61/97/81/343619781.db2.gz JSRPCAOFGDZBRH-UHFFFAOYSA-N 0 3 180.251 1.265 20 0 ADADHN C[C@H](N)c1ccncc1F 83570791 343621553 /nfs/dbraw/zinc/62/15/53/343621553.db2.gz CKEIEOLXLLJFSA-YFKPBYRVSA-N 0 3 140.161 1.240 20 0 in-vitro ADADHN Cc1ccc(CN2CC(N)C2)s1 83634144 343621835 /nfs/dbraw/zinc/62/18/35/343621835.db2.gz NJKFXKOVLQMDJV-UHFFFAOYSA-N 0 3 182.292 1.199 20 0 ADADHN NC1CN(Cc2ccc(F)c(F)c2)C1 83634647 343621962 /nfs/dbraw/zinc/62/19/62/343621962.db2.gz NZMCSWZQQGSHPZ-UHFFFAOYSA-N 0 3 198.216 1.108 20 0 ADADHN NC1CN(Cc2ccc(Cl)cc2)C1 83634838 343621966 /nfs/dbraw/zinc/62/19/66/343621966.db2.gz HLZDXDOMNBYBCQ-UHFFFAOYSA-N 0 3 196.681 1.483 20 0 ADADHN NC1CN(C/C=C/c2ccccc2)C1 83635771 343621984 /nfs/dbraw/zinc/62/19/84/343621984.db2.gz SXFNFFSABGFREG-QPJJXVBHSA-N 0 3 188.274 1.343 20 0 ADADHN NC1CN(Cc2ccccc2Cl)C1 83634152 343622004 /nfs/dbraw/zinc/62/20/04/343622004.db2.gz MLQQHRPNFRSQDB-UHFFFAOYSA-N 0 3 196.681 1.483 20 0 ADADHN NC1CN(Cc2cc(F)ccc2F)C1 83634070 343622016 /nfs/dbraw/zinc/62/20/16/343622016.db2.gz BMXQLYWTNSBZBO-UHFFFAOYSA-N 0 3 198.216 1.108 20 0 ADADHN NC1CN(Cc2c(F)cccc2F)C1 83634159 343622121 /nfs/dbraw/zinc/62/21/21/343622121.db2.gz NSWMKGUYGBTRAA-UHFFFAOYSA-N 0 3 198.216 1.108 20 0 ADADHN NC1CN(Cc2cccc(Cl)c2)C1 83634049 343622161 /nfs/dbraw/zinc/62/21/61/343622161.db2.gz WXVFJFMBDZTHIO-UHFFFAOYSA-N 0 3 196.681 1.483 20 0 ADADHN Cc1nc(N)cc(NCC(C)C)n1 83823770 343624517 /nfs/dbraw/zinc/62/45/17/343624517.db2.gz MQGRVEWOZWTDHD-UHFFFAOYSA-N 0 3 180.255 1.435 20 0 ADADHN CCCNc1cc(N)nc(C)n1 83823765 343624747 /nfs/dbraw/zinc/62/47/47/343624747.db2.gz YTOLNYQVNFXPHC-UHFFFAOYSA-N 0 3 166.228 1.189 20 0 ADADHN CCN(CC)c1cc(N)nc(C)n1 83824865 343625246 /nfs/dbraw/zinc/62/52/46/343625246.db2.gz YNNCUOLJYMCRIF-UHFFFAOYSA-N 0 3 180.255 1.213 20 0 ADADHN CNCc1cnn(CC2CCC2)c1 83841983 343625598 /nfs/dbraw/zinc/62/55/98/343625598.db2.gz CFZCTOPHLBZBDT-UHFFFAOYSA-N 0 3 179.267 1.403 20 0 ADADHN COC(=O)[C@H]1CCCN1CC1CCC1 83841901 343625708 /nfs/dbraw/zinc/62/57/08/343625708.db2.gz MMDJZPXXSGDJOI-SNVBAGLBSA-N 0 3 197.278 1.424 20 0 ADADHN COC(=O)[C@@H]1CCCN1CC1CCC1 83841900 343625758 /nfs/dbraw/zinc/62/57/58/343625758.db2.gz MMDJZPXXSGDJOI-JTQLQIEISA-N 0 3 197.278 1.424 20 0 ADADHN CCn1ccnc1CNCCC1CC1 83893393 343627275 /nfs/dbraw/zinc/62/72/75/343627275.db2.gz YLWRALWQOMVRMR-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN OCc1ccc(CNCCC2CC2)o1 83893491 343627380 /nfs/dbraw/zinc/62/73/80/343627380.db2.gz PTCYIARWQWRFNA-UHFFFAOYSA-N 0 3 195.262 1.662 20 0 ADADHN C[C@@H](O)CCN(C)CCC(F)(F)F 83890316 343627398 /nfs/dbraw/zinc/62/73/98/343627398.db2.gz WCUMMBIOYFGTSP-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN C[C@H](O)CCN(C)CCC(F)(F)F 83890315 343627461 /nfs/dbraw/zinc/62/74/61/343627461.db2.gz WCUMMBIOYFGTSP-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN c1c[nH]c(CNCCC2CC2)n1 83893595 343627474 /nfs/dbraw/zinc/62/74/74/343627474.db2.gz DNWGCILJZLHDJT-UHFFFAOYSA-N 0 3 165.240 1.299 20 0 ADADHN CC(C)(NC(=O)CN)c1cccs1 83906385 343627699 /nfs/dbraw/zinc/62/76/99/343627699.db2.gz IDRBCAUGPBRIFR-UHFFFAOYSA-N 0 3 198.291 1.058 20 0 ADADHN c1cc(CNCCC2CC2)n[nH]1 83894003 343627795 /nfs/dbraw/zinc/62/77/95/343627795.db2.gz SOQPHLGUQHNHBT-UHFFFAOYSA-N 0 3 165.240 1.299 20 0 ADADHN COC(=O)[C@@H]1CCCN1CCC1CC1 83939796 343628266 /nfs/dbraw/zinc/62/82/66/343628266.db2.gz ODVGEFPNWWYFKS-JTQLQIEISA-N 0 3 197.278 1.424 20 0 ADADHN CNCC(=O)N1CCC[C@H]1C(C)(C)C 83937170 343628290 /nfs/dbraw/zinc/62/82/90/343628290.db2.gz WRMHGQLUIUDRKS-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N1CCC[C@@H]1C(C)(C)C 83937173 343628315 /nfs/dbraw/zinc/62/83/15/343628315.db2.gz WRMHGQLUIUDRKS-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN COC(=O)[C@H]1CCCN1CCC1CC1 83939799 343628557 /nfs/dbraw/zinc/62/85/57/343628557.db2.gz ODVGEFPNWWYFKS-SNVBAGLBSA-N 0 3 197.278 1.424 20 0 ADADHN Cc1ccsc1CNC(=O)[C@@H](C)N 83944175 343628576 /nfs/dbraw/zinc/62/85/76/343628576.db2.gz QIRFVKZIUOMIKY-SSDOTTSWSA-N 0 3 198.291 1.020 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1ncnn1C 83971041 343629429 /nfs/dbraw/zinc/62/94/29/343629429.db2.gz FHOYNWPSTASXFI-IUCAKERBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1ncnn1C 83971043 343629447 /nfs/dbraw/zinc/62/94/47/343629447.db2.gz FHOYNWPSTASXFI-RKDXNWHRSA-N 0 3 194.282 1.093 20 0 ADADHN Cn1ncnc1CNC1CCCCC1 83970283 343629505 /nfs/dbraw/zinc/62/95/05/343629505.db2.gz INMVZYZGDUDMLJ-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN CCN(CC)CCSCC(C)=O 84060157 343630035 /nfs/dbraw/zinc/63/00/35/343630035.db2.gz YTPFFBJVZVUPEP-UHFFFAOYSA-N 0 3 189.324 1.650 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@@H]1CC=CCC1 84067214 343630393 /nfs/dbraw/zinc/63/03/93/343630393.db2.gz YCLVFLWKHZKSNX-ZJUUUORDSA-N 0 3 196.294 1.195 20 0 ADADHN C1=CC[C@H](NCc2cnccn2)CC1 84066132 343630437 /nfs/dbraw/zinc/63/04/37/343630437.db2.gz FVJLEVXVQVHLSW-JTQLQIEISA-N 0 3 189.262 1.675 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@H]1CC=CCC1 84067213 343630552 /nfs/dbraw/zinc/63/05/52/343630552.db2.gz YCLVFLWKHZKSNX-UWVGGRQHSA-N 0 3 196.294 1.195 20 0 ADADHN Cn1cc(CN[C@H]2CC=CCC2)nn1 84066328 343630571 /nfs/dbraw/zinc/63/05/71/343630571.db2.gz WTLDSLVSQAUEEU-VIFPVBQESA-N 0 3 192.266 1.013 20 0 ADADHN C1=CC[C@@H](NCc2cnccn2)CC1 84066133 343630639 /nfs/dbraw/zinc/63/06/39/343630639.db2.gz FVJLEVXVQVHLSW-SNVBAGLBSA-N 0 3 189.262 1.675 20 0 ADADHN CC[C@H](N)C(=O)N(C)c1ccccc1 84199680 343631789 /nfs/dbraw/zinc/63/17/89/343631789.db2.gz PTKVNNILTIXKGN-JTQLQIEISA-N 0 3 192.262 1.387 20 0 ADADHN CC(C)Cc1n[nH]cc1CN 84250585 343633042 /nfs/dbraw/zinc/63/30/42/343633042.db2.gz XPROYIABRPUWBE-UHFFFAOYSA-N 0 3 153.229 1.067 20 0 ADADHN Cc1cc(CN[C@H]2CC2(C)C)n(C)n1 84244335 343633087 /nfs/dbraw/zinc/63/30/87/343633087.db2.gz LPUORDUHRXXUBM-JTQLQIEISA-N 0 3 193.294 1.617 20 0 ADADHN Cc1ccc2c(c1)[C@@H](O)CCNC2 84307389 343633669 /nfs/dbraw/zinc/63/36/69/343633669.db2.gz XWAWAABLCKLLQG-NSHDSACASA-N 0 3 177.247 1.522 20 0 ADADHN Cc1ccc2c(c1)[C@H](O)CCNC2 84307385 343633724 /nfs/dbraw/zinc/63/37/24/343633724.db2.gz XWAWAABLCKLLQG-LLVKDONJSA-N 0 3 177.247 1.522 20 0 ADADHN c1cc2n(c1)CCN[C@@H]2C1CC1 84329854 343634295 /nfs/dbraw/zinc/63/42/95/343634295.db2.gz ZOKDKVNBUYMSBG-SNVBAGLBSA-N 0 3 162.236 1.542 20 0 ADADHN c1cc2n(c1)CCN[C@H]2C1CC1 84329856 343634664 /nfs/dbraw/zinc/63/46/64/343634664.db2.gz ZOKDKVNBUYMSBG-JTQLQIEISA-N 0 3 162.236 1.542 20 0 ADADHN C[C@@H]([NH3+])c1ccc(F)c([O-])c1 84426884 343636293 /nfs/dbraw/zinc/63/62/93/343636293.db2.gz LKKMAGWOAMDJDO-RXMQYKEDSA-N 0 3 155.172 1.551 20 0 ADADHN C[C@H]([NH3+])c1ccc(F)c([O-])c1 84426883 343636479 /nfs/dbraw/zinc/63/64/79/343636479.db2.gz LKKMAGWOAMDJDO-YFKPBYRVSA-N 0 3 155.172 1.551 20 0 ADADHN C[C@@H](CCO)CNCc1ccco1 85128739 343639274 /nfs/dbraw/zinc/63/92/74/343639274.db2.gz QXGZMNKBUBJHKZ-VIFPVBQESA-N 0 3 183.251 1.388 20 0 ADADHN Cc1ccc(CNC[C@@H](C)CCO)o1 85125847 343639305 /nfs/dbraw/zinc/63/93/05/343639305.db2.gz PIZIGAUBZRDOAL-VIFPVBQESA-N 0 3 197.278 1.696 20 0 ADADHN C[C@H](CCO)CNCc1ccco1 85128742 343639369 /nfs/dbraw/zinc/63/93/69/343639369.db2.gz QXGZMNKBUBJHKZ-SECBINFHSA-N 0 3 183.251 1.388 20 0 ADADHN Cc1ccc(CNC[C@H](C)CCO)o1 85125848 343639609 /nfs/dbraw/zinc/63/96/09/343639609.db2.gz PIZIGAUBZRDOAL-SECBINFHSA-N 0 3 197.278 1.696 20 0 ADADHN C[C@H](CCO)SCCN(C)C 85145487 343640696 /nfs/dbraw/zinc/64/06/96/343640696.db2.gz PSJUYGHAMQSZQO-MRVPVSSYSA-N 0 3 177.313 1.052 20 0 ADADHN C[C@@H](CCO)SCCN(C)C 85145484 343640777 /nfs/dbraw/zinc/64/07/77/343640777.db2.gz PSJUYGHAMQSZQO-QMMMGPOBSA-N 0 3 177.313 1.052 20 0 ADADHN CCn1cncc1CNCCSC 85184023 343641147 /nfs/dbraw/zinc/64/11/47/343641147.db2.gz TWEFWTJAKLBJFB-UHFFFAOYSA-N 0 3 199.323 1.356 20 0 ADADHN CCc1csc(N(C)C2CNC2)n1 85258490 343642223 /nfs/dbraw/zinc/64/22/23/343642223.db2.gz XVQUSUHDQMDXMM-UHFFFAOYSA-N 0 3 197.307 1.114 20 0 ADADHN CCc1csc(NC2CNC2)n1 85256832 343642252 /nfs/dbraw/zinc/64/22/52/343642252.db2.gz GJHSQNNFDDPFRM-UHFFFAOYSA-N 0 3 183.280 1.089 20 0 ADADHN CC(C)[C@@H](N)C(=O)Nc1ccsc1 85535031 343644512 /nfs/dbraw/zinc/64/45/12/343644512.db2.gz ZPMPOTZZHBKMQU-MRVPVSSYSA-N 0 3 198.291 1.670 20 0 ADADHN CC(C)(N)C(=O)Nc1ccsc1 85535101 343644523 /nfs/dbraw/zinc/64/45/23/343644523.db2.gz SXTGIJHMGHXUQB-UHFFFAOYSA-N 0 3 184.264 1.424 20 0 ADADHN C[C@H](N)C(=O)Nc1ccsc1 85535080 343644651 /nfs/dbraw/zinc/64/46/51/343644651.db2.gz XUHYDUWVADNODP-YFKPBYRVSA-N 0 3 170.237 1.034 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccsc1 85535144 343644656 /nfs/dbraw/zinc/64/46/56/343644656.db2.gz GYWXYHXXOMDQEV-ZETCQYMHSA-N 0 3 184.264 1.424 20 0 ADADHN CC(C)[C@H](N)C(=O)Nc1ccsc1 85535102 343644658 /nfs/dbraw/zinc/64/46/58/343644658.db2.gz ZPMPOTZZHBKMQU-QMMMGPOBSA-N 0 3 198.291 1.670 20 0 ADADHN CC(C)OCCN(C)CC[C@@H](C)O 85697103 343645835 /nfs/dbraw/zinc/64/58/35/343645835.db2.gz MASSZCTUMGMYOO-SNVBAGLBSA-N 0 3 189.299 1.114 20 0 ADADHN CC(C)OCCN(C)CC[C@H](C)O 85697106 343646233 /nfs/dbraw/zinc/64/62/33/343646233.db2.gz MASSZCTUMGMYOO-JTQLQIEISA-N 0 3 189.299 1.114 20 0 ADADHN COC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 85697440 343646412 /nfs/dbraw/zinc/64/64/12/343646412.db2.gz BXWJCRVCFGWMSF-CIUDSAMLSA-N 0 3 185.267 1.136 20 0 ADADHN COC(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 85697445 343646618 /nfs/dbraw/zinc/64/66/18/343646618.db2.gz BXWJCRVCFGWMSF-HLTSFMKQSA-N 0 3 185.267 1.136 20 0 ADADHN CCOC(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 85697474 343646646 /nfs/dbraw/zinc/64/66/46/343646646.db2.gz AGMKXLHHGYGKGZ-BBBLOLIVSA-N 0 3 199.294 1.526 20 0 ADADHN COC(=O)[C@H](C)N1C[C@@H](C)[C@@H](C)C1 85697439 343646671 /nfs/dbraw/zinc/64/66/71/343646671.db2.gz BXWJCRVCFGWMSF-YIZRAAEISA-N 0 3 185.267 1.136 20 0 ADADHN CCOC(=O)[C@H](C)N1C[C@@H](C)[C@@H](C)C1 85697470 343646691 /nfs/dbraw/zinc/64/66/91/343646691.db2.gz AGMKXLHHGYGKGZ-AEJSXWLSSA-N 0 3 199.294 1.526 20 0 ADADHN CCOC(=O)[C@@H](C)N1C[C@@H](C)[C@@H](C)C1 85697468 343646813 /nfs/dbraw/zinc/64/68/13/343646813.db2.gz AGMKXLHHGYGKGZ-KXUCPTDWSA-N 0 3 199.294 1.526 20 0 ADADHN Cc1cc(F)cc(NC(=O)[C@H](C)N)c1 85731110 343647000 /nfs/dbraw/zinc/64/70/00/343647000.db2.gz WWLLTYNDLWNAHP-ZETCQYMHSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1cc(F)cc(NC(=O)[C@@H](C)N)c1 85731161 343647066 /nfs/dbraw/zinc/64/70/66/343647066.db2.gz WWLLTYNDLWNAHP-SSDOTTSWSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1ncccc1NC(=O)C(C)(C)N 85727828 343647275 /nfs/dbraw/zinc/64/72/75/343647275.db2.gz CNZMRQUWKMCQJH-UHFFFAOYSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@H](N)C(=O)Nc1cccnc1C 85727869 343647284 /nfs/dbraw/zinc/64/72/84/343647284.db2.gz OWRPJOIBTZXMDQ-QMMMGPOBSA-N 0 3 193.250 1.066 20 0 ADADHN CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 85789384 343647762 /nfs/dbraw/zinc/64/77/62/343647762.db2.gz RYVVBPBHNGNMMH-ZJUUUORDSA-N 0 3 196.294 1.092 20 0 ADADHN CC(C)C(=O)N(C)C[C@H]1CCCN1C 86190317 343649655 /nfs/dbraw/zinc/64/96/55/343649655.db2.gz XELYOIBTYKUIGW-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)C(=O)N(C)C[C@@H]1CCCN1C 86190315 343649854 /nfs/dbraw/zinc/64/98/54/343649854.db2.gz XELYOIBTYKUIGW-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)[C@@H](CO)NCc1cccnc1 86121298 343649933 /nfs/dbraw/zinc/64/99/33/343649933.db2.gz NVNRYYJNTVYWJG-LLVKDONJSA-N 0 3 194.278 1.188 20 0 ADADHN CC(C)(O)CCN1CCSCC1 86194662 343649938 /nfs/dbraw/zinc/64/99/38/343649938.db2.gz UULMUWJLFXWTEA-UHFFFAOYSA-N 0 3 189.324 1.196 20 0 ADADHN CC(C)(N)C(=O)NC1C(C)(C)C1(C)C 86240726 343650289 /nfs/dbraw/zinc/65/02/89/343650289.db2.gz YYEJWDCEXUNCIP-UHFFFAOYSA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@H](N)C(=O)NC1C(C)(C)C1(C)C 86240709 343650397 /nfs/dbraw/zinc/65/03/97/343650397.db2.gz PHTPHASWXUSEGV-ZETCQYMHSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@@H]1CCN(Cc2cnc(N)s2)C1 86765883 343655149 /nfs/dbraw/zinc/65/51/49/343655149.db2.gz NUBSETZSYYRHFR-SSDOTTSWSA-N 0 3 197.307 1.567 20 0 ADADHN CC(C)N(C)Cc1cnc(N)s1 86765628 343655182 /nfs/dbraw/zinc/65/51/82/343655182.db2.gz JJLLHYNMQMQKKI-UHFFFAOYSA-N 0 3 185.296 1.566 20 0 ADADHN C[C@H]1CCN(Cc2cnc(N)s2)C1 86765884 343655248 /nfs/dbraw/zinc/65/52/48/343655248.db2.gz NUBSETZSYYRHFR-ZETCQYMHSA-N 0 3 197.307 1.567 20 0 ADADHN CCC1(CC)CCN(C(=O)[C@@H](C)N)C1 87253723 343658894 /nfs/dbraw/zinc/65/88/94/343658894.db2.gz UHTVXRZYNBJXEX-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1CCC(C)(C)C1 87253539 343658989 /nfs/dbraw/zinc/65/89/89/343658989.db2.gz KBCVMXAHWSYPBL-SECBINFHSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)[C@H](N)C(=O)N1CCC(C)(C)C1 87253446 343659075 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/nfs/dbraw/zinc/66/49/42/343664942.db2.gz MNJCOXWTPSXTTR-UHFFFAOYSA-N 0 3 194.282 1.825 20 0 ADADHN CNc1cc(N2CCCC2)nc(C)n1 87805710 343664956 /nfs/dbraw/zinc/66/49/56/343664956.db2.gz OKFOJELBSFVOSJ-UHFFFAOYSA-N 0 3 192.266 1.427 20 0 ADADHN CCCCN(C)c1cc(N)nc(C)n1 87801001 343664994 /nfs/dbraw/zinc/66/49/94/343664994.db2.gz QLNXQNMBLKHZMO-UHFFFAOYSA-N 0 3 194.282 1.604 20 0 ADADHN CC[C@H](C)Nc1cc(N)nc(C)n1 87806898 343664999 /nfs/dbraw/zinc/66/49/99/343664999.db2.gz QCIFXFDTBYJEJO-LURJTMIESA-N 0 3 180.255 1.578 20 0 ADADHN CCN(CC)c1cc(NC)nc(C)n1 87805810 343665098 /nfs/dbraw/zinc/66/50/98/343665098.db2.gz NOMUPMVQCCVITR-UHFFFAOYSA-N 0 3 194.282 1.673 20 0 ADADHN CNc1cc(NCC2CC2)nc(C)n1 87807566 343665164 /nfs/dbraw/zinc/66/51/64/343665164.db2.gz UYFHJQVXXBPARS-UHFFFAOYSA-N 0 3 192.266 1.649 20 0 ADADHN CCNc1cc(NC)nc(C)n1 87807315 343665263 /nfs/dbraw/zinc/66/52/63/343665263.db2.gz FXGUELAYDBEFEU-UHFFFAOYSA-N 0 3 166.228 1.259 20 0 ADADHN CNc1cc(NC2CC2)nc(C)n1 87807057 343665273 /nfs/dbraw/zinc/66/52/73/343665273.db2.gz YAWZDWCLRAJVCX-UHFFFAOYSA-N 0 3 178.239 1.401 20 0 ADADHN Nc1cc(NC2CC2)nc(C2CC2)n1 87908941 343665490 /nfs/dbraw/zinc/66/54/90/343665490.db2.gz KKTSUUORLZQGNA-UHFFFAOYSA-N 0 3 190.250 1.511 20 0 ADADHN CCCNc1cc(N)nc(C2CC2)n1 87908910 343665521 /nfs/dbraw/zinc/66/55/21/343665521.db2.gz KNALQJQDQQKJJX-UHFFFAOYSA-N 0 3 192.266 1.758 20 0 ADADHN CCNc1cc(N)nc(C2CC2)n1 87908968 343665608 /nfs/dbraw/zinc/66/56/08/343665608.db2.gz QYKROLMGDYLTPQ-UHFFFAOYSA-N 0 3 178.239 1.368 20 0 ADADHN CCNc1cc(NC)nc(C2CC2)n1 87908962 343665735 /nfs/dbraw/zinc/66/57/35/343665735.db2.gz ZYTJFXAYRCRIOO-UHFFFAOYSA-N 0 3 192.266 1.828 20 0 ADADHN CCOC(CNC1CC1)OCC 88008155 343665874 /nfs/dbraw/zinc/66/58/74/343665874.db2.gz STHTUWKZGCOJMM-UHFFFAOYSA-N 0 3 173.256 1.138 20 0 ADADHN CC1(O)CCN(Cc2ccco2)CC1 88023563 343666068 /nfs/dbraw/zinc/66/60/68/343666068.db2.gz PXNUEOUWYDOION-UHFFFAOYSA-N 0 3 195.262 1.626 20 0 ADADHN NC1(C(=O)N2CCCCCC2)CCC1 88049993 343666543 /nfs/dbraw/zinc/66/65/43/343666543.db2.gz LGNHWJYPYUKRBT-UHFFFAOYSA-N 0 3 196.294 1.270 20 0 ADADHN C[C@H]1CCCN(C(=O)C2(N)CCC2)C1 88049988 343666644 /nfs/dbraw/zinc/66/66/44/343666644.db2.gz AZPHZCLFUYCDKG-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN C[C@@H]1CCCCN1C(=O)C1(N)CCC1 88049951 343666653 /nfs/dbraw/zinc/66/66/53/343666653.db2.gz JEHKMPAWTKYHQS-SECBINFHSA-N 0 3 196.294 1.269 20 0 ADADHN CC1CCN(C(=O)C2(N)CCC2)CC1 88049931 343666663 /nfs/dbraw/zinc/66/66/63/343666663.db2.gz NDJYOLQIDUBFCJ-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN NC1(C(=O)Nc2ccccc2)CCC1 88049937 343666723 /nfs/dbraw/zinc/66/67/23/343666723.db2.gz DVRQBYRQLLFOTB-UHFFFAOYSA-N 0 3 190.246 1.507 20 0 ADADHN NC1(C(=O)NC2CCCCC2)CCC1 88049935 343666728 /nfs/dbraw/zinc/66/67/28/343666728.db2.gz SZIMVUUSSHFKSO-UHFFFAOYSA-N 0 3 196.294 1.317 20 0 ADADHN C[C@H]1CCCCN1C(=O)C1(N)CCC1 88049952 343666809 /nfs/dbraw/zinc/66/68/09/343666809.db2.gz JEHKMPAWTKYHQS-VIFPVBQESA-N 0 3 196.294 1.269 20 0 ADADHN NC1(C(=O)Nc2ccsc2)CCC1 88051485 343667127 /nfs/dbraw/zinc/66/71/27/343667127.db2.gz HKXLUIBQEWKOCZ-UHFFFAOYSA-N 0 3 196.275 1.568 20 0 ADADHN C[C@H]1CCC[C@@H]1NC(=O)C1(N)CCC1 88051123 343667174 /nfs/dbraw/zinc/66/71/74/343667174.db2.gz IOIJMKADRCKMTK-IUCAKERBSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@@H]1CCC[C@@H]1NC(=O)C1(N)CCC1 88051122 343667272 /nfs/dbraw/zinc/66/72/72/343667272.db2.gz IOIJMKADRCKMTK-BDAKNGLRSA-N 0 3 196.294 1.173 20 0 ADADHN CN(CC(C)(C)C)C(=O)C1(N)CCC1 88050939 343667331 /nfs/dbraw/zinc/66/73/31/343667331.db2.gz CGSAQULWRMIVGA-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CN(CC1CCC1)C(=O)C1(N)CCC1 88051068 343667361 /nfs/dbraw/zinc/66/73/61/343667361.db2.gz WAXWFUXETMPGNI-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CN(C(=O)C1(N)CCC1)C1CCCC1 88050233 343667375 /nfs/dbraw/zinc/66/73/75/343667375.db2.gz CGTOMDWTNIDKRB-UHFFFAOYSA-N 0 3 196.294 1.269 20 0 ADADHN CCCC(=O)N[C@H]1CCN(C)[C@H](C)C1 88055987 343667463 /nfs/dbraw/zinc/66/74/63/343667463.db2.gz RSTLDMQBDXHENN-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@@H]1CCC[C@H]1NC(=O)C1(N)CCC1 88051124 343667516 /nfs/dbraw/zinc/66/75/16/343667516.db2.gz IOIJMKADRCKMTK-RKDXNWHRSA-N 0 3 196.294 1.173 20 0 ADADHN CC1(C)CCN(C(=O)C2(N)CCC2)C1 88051564 343667528 /nfs/dbraw/zinc/66/75/28/343667528.db2.gz YFGULVQYLUTXBD-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CC(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 88055708 343667550 /nfs/dbraw/zinc/66/75/50/343667550.db2.gz DUDXIEQCBHQYMW-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN C[C@H]1CCC[C@H]1NC(=O)C1(N)CCC1 88051125 343667570 /nfs/dbraw/zinc/66/75/70/343667570.db2.gz IOIJMKADRCKMTK-DTWKUNHWSA-N 0 3 196.294 1.173 20 0 ADADHN CC(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 88055709 343667584 /nfs/dbraw/zinc/66/75/84/343667584.db2.gz DUDXIEQCBHQYMW-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)(C)CNC(=O)C1(N)CCC1 88050736 343667597 /nfs/dbraw/zinc/66/75/97/343667597.db2.gz SSSJFBOVGWZAPB-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN Cc1cn(-c2ccccc2)c(N)n1 88190066 343669006 /nfs/dbraw/zinc/66/90/06/343669006.db2.gz MBKBPWQLWPEWJO-UHFFFAOYSA-N 0 3 173.219 1.763 20 0 ADADHN C[C@@H](CO)CNCc1ccsc1 88195251 343669271 /nfs/dbraw/zinc/66/92/71/343669271.db2.gz DCVQOANEZZEVOO-MRVPVSSYSA-N 0 3 185.292 1.466 20 0 ADADHN C[C@H](CO)CNCc1cccc(O)c1 88195447 343669286 /nfs/dbraw/zinc/66/92/86/343669286.db2.gz HDQQZVKAPNNOAI-VIFPVBQESA-N 0 3 195.262 1.110 20 0 ADADHN Cc1ccc(CNC[C@H](C)CO)o1 88195188 343669310 /nfs/dbraw/zinc/66/93/10/343669310.db2.gz MHBZFHNPVRHHSB-QMMMGPOBSA-N 0 3 183.251 1.306 20 0 ADADHN C[C@@H](CO)CNCc1ccccc1F 88195241 343669339 /nfs/dbraw/zinc/66/93/39/343669339.db2.gz UVVGRBHAXJHBHZ-SECBINFHSA-N 0 3 197.253 1.544 20 0 ADADHN C[C@H](CO)CNCc1ccccc1F 88195240 343669366 /nfs/dbraw/zinc/66/93/66/343669366.db2.gz UVVGRBHAXJHBHZ-VIFPVBQESA-N 0 3 197.253 1.544 20 0 ADADHN Cc1noc(C)c1CNC[C@@H](C)CO 88194997 343669383 /nfs/dbraw/zinc/66/93/83/343669383.db2.gz GHWIBYBHJDEPFY-SSDOTTSWSA-N 0 3 198.266 1.009 20 0 ADADHN C[C@H](CO)CNCc1ccsc1 88195250 343669418 /nfs/dbraw/zinc/66/94/18/343669418.db2.gz DCVQOANEZZEVOO-QMMMGPOBSA-N 0 3 185.292 1.466 20 0 ADADHN Cc1ccc(CNC[C@@H](C)CO)o1 88195187 343669463 /nfs/dbraw/zinc/66/94/63/343669463.db2.gz MHBZFHNPVRHHSB-MRVPVSSYSA-N 0 3 183.251 1.306 20 0 ADADHN Cc1noc(C)c1CNC[C@H](C)CO 88194998 343669545 /nfs/dbraw/zinc/66/95/45/343669545.db2.gz GHWIBYBHJDEPFY-ZETCQYMHSA-N 0 3 198.266 1.009 20 0 ADADHN C[C@@H](CO)CNCc1cccc(O)c1 88195448 343669587 /nfs/dbraw/zinc/66/95/87/343669587.db2.gz HDQQZVKAPNNOAI-SECBINFHSA-N 0 3 195.262 1.110 20 0 ADADHN CCCN1CCC[C@H](NC(=O)CC)C1 90188060 343674421 /nfs/dbraw/zinc/67/44/21/343674421.db2.gz GKPOBYXYIIHOHB-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCCN1CCC[C@@H](NC(=O)CC)C1 90188062 343674522 /nfs/dbraw/zinc/67/45/22/343674522.db2.gz GKPOBYXYIIHOHB-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)Oc1ccsc1CN 90394368 343674945 /nfs/dbraw/zinc/67/49/45/343674945.db2.gz DHUTWJVKOYHRRN-UHFFFAOYSA-N 0 3 171.265 1.994 20 0 ADADHN Cc1cccc(-c2cncc(CN)c2)n1 91351643 343677459 /nfs/dbraw/zinc/67/74/59/343677459.db2.gz DANVSCLMOWZTID-UHFFFAOYSA-N 0 3 199.257 1.911 20 0 ADADHN Cc1cccnc1-c1cncc(CN)c1 91351623 343677524 /nfs/dbraw/zinc/67/75/24/343677524.db2.gz RIARXHHPPQWECJ-UHFFFAOYSA-N 0 3 199.257 1.911 20 0 ADADHN Cc1ccnc(-c2cncc(CN)c2)c1 91351630 343677553 /nfs/dbraw/zinc/67/75/53/343677553.db2.gz WBDHMGWNWSLYMI-UHFFFAOYSA-N 0 3 199.257 1.911 20 0 ADADHN CCC(CC)CNCc1cn(C)nn1 91897165 343678489 /nfs/dbraw/zinc/67/84/89/343678489.db2.gz CVGFJDHIJRHMEB-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN CC(C)NCc1nccn1C1CC1 95088481 343680231 /nfs/dbraw/zinc/68/02/31/343680231.db2.gz HGROEAWVFUMBHL-UHFFFAOYSA-N 0 3 179.267 1.716 20 0 ADADHN CC(C)NCc1nccn1C(C)C 95088480 343680418 /nfs/dbraw/zinc/68/04/18/343680418.db2.gz MNDSTIMOEFIGAY-UHFFFAOYSA-N 0 3 181.283 1.962 20 0 ADADHN CCn1ccnc1[C@@H](C)NC(C)C 95091256 343680685 /nfs/dbraw/zinc/68/06/85/343680685.db2.gz FOKGQGGFNIQEBJ-SECBINFHSA-N 0 3 181.283 1.962 20 0 ADADHN CCn1ccnc1[C@H](C)NC(C)C 95091257 343680701 /nfs/dbraw/zinc/68/07/01/343680701.db2.gz FOKGQGGFNIQEBJ-VIFPVBQESA-N 0 3 181.283 1.962 20 0 ADADHN Cc1cccc2c1CNCC[C@@H]2O 95221082 343682903 /nfs/dbraw/zinc/68/29/03/343682903.db2.gz RUCWJKJKXMLOBH-NSHDSACASA-N 0 3 177.247 1.522 20 0 ADADHN Cc1cccc2c1CNCC[C@H]2O 95221084 343683360 /nfs/dbraw/zinc/68/33/60/343683360.db2.gz RUCWJKJKXMLOBH-LLVKDONJSA-N 0 3 177.247 1.522 20 0 ADADHN Fc1cnc([C@H]2CCCN2)c(F)c1 95718845 343686040 /nfs/dbraw/zinc/68/60/40/343686040.db2.gz HLBRVLDFCRLHRG-MRVPVSSYSA-N 0 3 184.189 1.784 20 0 ADADHN Fc1cnc([C@@H]2CCCN2)c(F)c1 95718851 343686161 /nfs/dbraw/zinc/68/61/61/343686161.db2.gz HLBRVLDFCRLHRG-QMMMGPOBSA-N 0 3 184.189 1.784 20 0 ADADHN Cc1cc(Cl)cc(CN)n1 95751516 343687169 /nfs/dbraw/zinc/68/71/69/343687169.db2.gz SPUPHJSEXARGJV-UHFFFAOYSA-N 0 3 156.616 1.502 20 0 ADADHN Cc1cc(Cl)nc(CN)c1 95763790 343687445 /nfs/dbraw/zinc/68/74/45/343687445.db2.gz RHXMIQKZRKPKKA-UHFFFAOYSA-N 0 3 156.616 1.502 20 0 in-vitro ADADHN CN1Cc2cc(N)ccc2C2(CC2)C1 95803150 343687497 /nfs/dbraw/zinc/68/74/97/343687497.db2.gz GXUFVBWYQHTXDP-UHFFFAOYSA-N 0 3 188.274 1.746 20 0 ADADHN Cc1c(CN)ccnc1Cl 95762234 343687545 /nfs/dbraw/zinc/68/75/45/343687545.db2.gz FYRASFQXQLUTNM-UHFFFAOYSA-N 0 3 156.616 1.502 20 0 ADADHN CC(C)n1cc2c(n1)[C@@H](N)CCC2 95829401 343688146 /nfs/dbraw/zinc/68/81/46/343688146.db2.gz GXNCFAWCECSKLK-VIFPVBQESA-N 0 3 179.267 1.800 20 0 in-vitro ADADHN Cc1cnc2[nH]c(CN)cc2c1 95830412 343688264 /nfs/dbraw/zinc/68/82/64/343688264.db2.gz HKCBPRYMLDLKCM-UHFFFAOYSA-N 0 3 161.208 1.330 20 0 ADADHN Cc1ccnc2[nH]c(CN)cc12 95830413 343688303 /nfs/dbraw/zinc/68/83/03/343688303.db2.gz MNVGSBMKDVZEGX-UHFFFAOYSA-N 0 3 161.208 1.330 20 0 ADADHN Cc1c([C@@H](C)N)sc2nccn12 95883862 343689041 /nfs/dbraw/zinc/68/90/41/343689041.db2.gz TXJBQYXFZOGQMO-RXMQYKEDSA-N 0 3 181.264 1.724 20 0 ADADHN Cc1c([C@H](C)N)sc2nccn12 95883863 343689115 /nfs/dbraw/zinc/68/91/15/343689115.db2.gz TXJBQYXFZOGQMO-YFKPBYRVSA-N 0 3 181.264 1.724 20 0 ADADHN Cc1cc(N)cc2[nH]cnc12 95921971 343690298 /nfs/dbraw/zinc/69/02/98/343690298.db2.gz RFIFNFFNFCHORU-UHFFFAOYSA-N 0 3 147.181 1.454 20 0 ADADHN Cc1ccc2c(c1)C=NCC2 95930432 343690699 /nfs/dbraw/zinc/69/06/99/343690699.db2.gz LEKVTJWRUHJMGO-UHFFFAOYSA-N 0 3 145.205 1.970 20 0 ADADHN C[C@H]1OCC[C@@H]1NCc1cccnc1 96033437 343693722 /nfs/dbraw/zinc/69/37/22/343693722.db2.gz TWZITSICFTWZTA-KOLCDFICSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@H]1OCC[C@@H]1NCc1ccccc1 96033497 343693978 /nfs/dbraw/zinc/69/39/78/343693978.db2.gz WYYROTROHMUABP-PWSUYJOCSA-N 0 3 191.274 1.954 20 0 ADADHN C[C@H]1OCC[C@H]1NCc1ccccc1 96033495 343694038 /nfs/dbraw/zinc/69/40/38/343694038.db2.gz WYYROTROHMUABP-ZYHUDNBSSA-N 0 3 191.274 1.954 20 0 ADADHN C[C@H]1OCC[C@H]1NCc1cccnc1 96033435 343694063 /nfs/dbraw/zinc/69/40/63/343694063.db2.gz TWZITSICFTWZTA-MWLCHTKSSA-N 0 3 192.262 1.349 20 0 ADADHN CC[C@H](NCCO)c1ccccc1F 96034227 343694400 /nfs/dbraw/zinc/69/44/00/343694400.db2.gz XSSOHQKGAASFTL-NSHDSACASA-N 0 3 197.253 1.859 20 0 ADADHN FC(F)CN1CCN2CCC[C@H]2C1 96526020 343698799 /nfs/dbraw/zinc/69/87/99/343698799.db2.gz OAXMUAIBFYJLFF-QMMMGPOBSA-N 0 3 190.237 1.032 20 0 ADADHN FC(F)CN1CCN2CCC[C@@H]2C1 96526016 343698877 /nfs/dbraw/zinc/69/88/77/343698877.db2.gz OAXMUAIBFYJLFF-MRVPVSSYSA-N 0 3 190.237 1.032 20 0 ADADHN Cn1ccc(CNC2CCCC2)n1 96543740 343699767 /nfs/dbraw/zinc/69/97/67/343699767.db2.gz TWCKVASREYWKMD-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CN(C)CCSc1ncc[nH]1 96551755 343699847 /nfs/dbraw/zinc/69/98/47/343699847.db2.gz UPUUAUURYGIPDF-UHFFFAOYSA-N 0 3 171.269 1.063 20 0 ADADHN CSCCCNCc1ccn(C)n1 96731403 343700652 /nfs/dbraw/zinc/70/06/52/343700652.db2.gz ZCDRVAROCSBANR-UHFFFAOYSA-N 0 3 199.323 1.263 20 0 ADADHN C[C@@H](CCO)NCc1ccco1 96811480 343700655 /nfs/dbraw/zinc/70/06/55/343700655.db2.gz FISFYXXGVQXARC-QMMMGPOBSA-N 0 3 169.224 1.140 20 0 ADADHN Cc1cccc(C)c1CN(C)CCO 96811115 343700683 /nfs/dbraw/zinc/70/06/83/343700683.db2.gz DRXRJTJTXWAJPC-UHFFFAOYSA-N 0 3 193.290 1.728 20 0 ADADHN Cc1ccc(CN[C@H](C)CCO)o1 96811757 343700689 /nfs/dbraw/zinc/70/06/89/343700689.db2.gz BFVSEIZRVAIWFE-MRVPVSSYSA-N 0 3 183.251 1.449 20 0 ADADHN C[C@H](CCO)NCc1cccc(F)c1 96811539 343700715 /nfs/dbraw/zinc/70/07/15/343700715.db2.gz METQDVIUAXVTMY-SECBINFHSA-N 0 3 197.253 1.686 20 0 ADADHN C[C@@H](CCO)NCc1ccccc1F 96811536 343700815 /nfs/dbraw/zinc/70/08/15/343700815.db2.gz XMBUJUWCIKOERJ-VIFPVBQESA-N 0 3 197.253 1.686 20 0 ADADHN Cc1noc(C)c1CN[C@H](C)CCO 96811709 343700845 /nfs/dbraw/zinc/70/08/45/343700845.db2.gz NNDXMEXOWWYJPM-SSDOTTSWSA-N 0 3 198.266 1.152 20 0 ADADHN C[C@@H](CCO)NCc1cccc(F)c1 96811538 343700872 /nfs/dbraw/zinc/70/08/72/343700872.db2.gz METQDVIUAXVTMY-VIFPVBQESA-N 0 3 197.253 1.686 20 0 ADADHN C[C@H](CCO)NCc1cccc(O)c1 96811343 343700901 /nfs/dbraw/zinc/70/09/01/343700901.db2.gz XVAKFKWHBZHDEV-SECBINFHSA-N 0 3 195.262 1.253 20 0 ADADHN C[C@@H](CCO)NCc1cccc(O)c1 96811342 343700907 /nfs/dbraw/zinc/70/09/07/343700907.db2.gz XVAKFKWHBZHDEV-VIFPVBQESA-N 0 3 195.262 1.253 20 0 ADADHN C[C@H](CCO)NCc1ccccc1F 96811537 343700914 /nfs/dbraw/zinc/70/09/14/343700914.db2.gz XMBUJUWCIKOERJ-SECBINFHSA-N 0 3 197.253 1.686 20 0 ADADHN Cn1ccc(CN[C@@H]2CC=CCC2)n1 96731410 343700942 /nfs/dbraw/zinc/70/09/42/343700942.db2.gz ZXNFYKRDIACZEV-SNVBAGLBSA-N 0 3 191.278 1.618 20 0 ADADHN Cn1ccc(CN[C@H]2CC=CCC2)n1 96731409 343700949 /nfs/dbraw/zinc/70/09/49/343700949.db2.gz ZXNFYKRDIACZEV-JTQLQIEISA-N 0 3 191.278 1.618 20 0 ADADHN C[C@H](CCO)NCc1ccco1 96811481 343700989 /nfs/dbraw/zinc/70/09/89/343700989.db2.gz FISFYXXGVQXARC-MRVPVSSYSA-N 0 3 169.224 1.140 20 0 ADADHN CC1(C)NCc2cnccc21 97757727 343703530 /nfs/dbraw/zinc/70/35/30/343703530.db2.gz OQBDFPGVQOBFET-UHFFFAOYSA-N 0 3 148.209 1.420 20 0 ADADHN CN1Cc2cc(N)ccc2C1(C)C 98096545 343705468 /nfs/dbraw/zinc/70/54/68/343705468.db2.gz QAWIGFGJXOCTRI-UHFFFAOYSA-N 0 3 176.263 1.949 20 0 in-vitro ADADHN Cc1nc(C)c(Cl)c(NN)n1 98179655 343705949 /nfs/dbraw/zinc/70/59/49/343705949.db2.gz GMQFSPXWIHFXCC-UHFFFAOYSA-N 0 3 172.619 1.032 20 0 ADADHN CN(Cc1ccccc1)[C@H]1CCOC1 104382115 343731398 /nfs/dbraw/zinc/73/13/98/343731398.db2.gz SMQFNQGZWSICEM-LBPRGKRZSA-N 0 3 191.274 1.907 20 0 ADADHN CN(Cc1ccccc1)[C@@H]1CCOC1 104382111 343731435 /nfs/dbraw/zinc/73/14/35/343731435.db2.gz SMQFNQGZWSICEM-GFCCVEGCSA-N 0 3 191.274 1.907 20 0 ADADHN CC[C@@H](N)c1cccc(OC)n1 104519921 343732101 /nfs/dbraw/zinc/73/21/01/343732101.db2.gz RUCLVZZNRUKYFG-SSDOTTSWSA-N 0 3 166.224 1.500 20 0 ADADHN CCCC[C@@H](F)CN 104635458 343734070 /nfs/dbraw/zinc/73/40/70/343734070.db2.gz OROGPYMCEJOHOF-ZCFIWIBFSA-N 0 3 119.183 1.473 20 0 ADADHN CCCC[C@H](F)CN 104635456 343734100 /nfs/dbraw/zinc/73/41/00/343734100.db2.gz OROGPYMCEJOHOF-LURJTMIESA-N 0 3 119.183 1.473 20 0 ADADHN CC[C@H](N)c1cccc(OC)n1 104669405 343734580 /nfs/dbraw/zinc/73/45/80/343734580.db2.gz RUCLVZZNRUKYFG-ZETCQYMHSA-N 0 3 166.224 1.500 20 0 ADADHN CCC[C@@H](C)N1CCOCC1 113356445 343758872 /nfs/dbraw/zinc/75/88/72/343758872.db2.gz ZGBULBQFJOLCJK-SECBINFHSA-N 0 3 157.257 1.507 20 0 ADADHN CC(C)NCc1cn2ccsc2n1 105971718 343737636 /nfs/dbraw/zinc/73/76/36/343737636.db2.gz SRHYZJBUIMRFKF-UHFFFAOYSA-N 0 3 195.291 1.894 20 0 ADADHN COC(=O)[C@@H]1CCCCN1CC(C)C 106000349 343737770 /nfs/dbraw/zinc/73/77/70/343737770.db2.gz SOQJPIAPKZUXSY-JTQLQIEISA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)[C@H]1CCCCN1CC(C)C 106000344 343737800 /nfs/dbraw/zinc/73/78/00/343737800.db2.gz SOQJPIAPKZUXSY-SNVBAGLBSA-N 0 3 199.294 1.670 20 0 ADADHN N[C@H](CF)c1ccc(O)cc1 107117885 343741018 /nfs/dbraw/zinc/74/10/18/343741018.db2.gz GBDQZMFFLYPRGS-MRVPVSSYSA-N 0 3 155.172 1.362 20 0 ADADHN N[C@@H](CF)c1ccc(O)cc1 107117887 343741077 /nfs/dbraw/zinc/74/10/77/343741077.db2.gz GBDQZMFFLYPRGS-QMMMGPOBSA-N 0 3 155.172 1.362 20 0 ADADHN CC[C@@H](CCO)NCc1ccco1 107129638 343742812 /nfs/dbraw/zinc/74/28/12/343742812.db2.gz NITHICVJJKETSY-VIFPVBQESA-N 0 3 183.251 1.530 20 0 ADADHN CC[C@H](CCO)NCc1ccco1 107129639 343742867 /nfs/dbraw/zinc/74/28/67/343742867.db2.gz NITHICVJJKETSY-SECBINFHSA-N 0 3 183.251 1.530 20 0 ADADHN CC(C)[C@@H](CCO)NCc1ccco1 107140531 343744163 /nfs/dbraw/zinc/74/41/63/343744163.db2.gz NUMFVJJKXHWEOA-LLVKDONJSA-N 0 3 197.278 1.776 20 0 ADADHN CC(C)[C@H](CCO)NCc1ccco1 107140534 343744279 /nfs/dbraw/zinc/74/42/79/343744279.db2.gz NUMFVJJKXHWEOA-NSHDSACASA-N 0 3 197.278 1.776 20 0 ADADHN CN1CCc2nc(Cl)ncc2C1 107171835 343746286 /nfs/dbraw/zinc/74/62/86/343746286.db2.gz MVHOEZNUVRCFMU-UHFFFAOYSA-N 0 3 183.642 1.118 20 0 ADADHN NC[C@@H](F)CCc1ccccc1 107258824 343747891 /nfs/dbraw/zinc/74/78/91/343747891.db2.gz ABUHIRMIHPJFNL-JTQLQIEISA-N 0 3 167.227 1.916 20 0 ADADHN CNCc1cnn(C2CCC2)c1 107329051 343749094 /nfs/dbraw/zinc/74/90/94/343749094.db2.gz JNNPRXOZXBHIST-UHFFFAOYSA-N 0 3 165.240 1.328 20 0 ADADHN N=C(N)c1cn(-c2ccccc2)cn1 107347854 343749609 /nfs/dbraw/zinc/74/96/09/343749609.db2.gz BGAUQBQDOPCKHZ-UHFFFAOYSA-N 0 3 186.218 1.156 20 0 ADADHN CCCCN1CCC[C@H](NC(C)=O)C1 108143085 343750554 /nfs/dbraw/zinc/75/05/54/343750554.db2.gz NQUFVSCFFWBZPJ-NSHDSACASA-N 0 3 198.310 1.387 20 0 ADADHN CCCCN1CCC[C@@H](NC(C)=O)C1 108143089 343750755 /nfs/dbraw/zinc/75/07/55/343750755.db2.gz NQUFVSCFFWBZPJ-LLVKDONJSA-N 0 3 198.310 1.387 20 0 ADADHN C[C@@H](NCc1ccn(C)n1)C1CC1 112339119 343754622 /nfs/dbraw/zinc/75/46/22/343754622.db2.gz BIYQJWKGGWKFQS-MRVPVSSYSA-N 0 3 179.267 1.308 20 0 ADADHN CC(C)CCCNCc1ccn(C)n1 112339992 343754652 /nfs/dbraw/zinc/75/46/52/343754652.db2.gz NFJMNORKBZKKRZ-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN CC(C)[C@H](C)NCc1ccn(C)n1 112338986 343754724 /nfs/dbraw/zinc/75/47/24/343754724.db2.gz XXSMWUYEHXMJGF-VIFPVBQESA-N 0 3 181.283 1.554 20 0 ADADHN C[C@H](NCc1ccn(C)n1)C1CC1 112339116 343754745 /nfs/dbraw/zinc/75/47/45/343754745.db2.gz BIYQJWKGGWKFQS-QMMMGPOBSA-N 0 3 179.267 1.308 20 0 ADADHN CCC[C@@H](C)NCc1ccn(C)n1 112337139 343754767 /nfs/dbraw/zinc/75/47/67/343754767.db2.gz HGOXLGQFGQYPIN-SECBINFHSA-N 0 3 181.283 1.698 20 0 ADADHN CCC(CC)NCc1ccn(C)n1 112337477 343754824 /nfs/dbraw/zinc/75/48/24/343754824.db2.gz JMADQNPRTAZRDD-UHFFFAOYSA-N 0 3 181.283 1.698 20 0 ADADHN CC[C@@H](C)NCc1ccn(C)n1 112337695 343754838 /nfs/dbraw/zinc/75/48/38/343754838.db2.gz BDTGYDGELDVTMX-MRVPVSSYSA-N 0 3 167.256 1.308 20 0 ADADHN CCC[C@H](C)NCc1ccn(C)n1 112337141 343754879 /nfs/dbraw/zinc/75/48/79/343754879.db2.gz HGOXLGQFGQYPIN-VIFPVBQESA-N 0 3 181.283 1.698 20 0 ADADHN Cn1ccc(CNCC2CCCC2)n1 112342893 343754886 /nfs/dbraw/zinc/75/48/86/343754886.db2.gz FWIBYUJKVLVQJD-UHFFFAOYSA-N 0 3 193.294 1.700 20 0 ADADHN CC(C)[C@@H](C)NCc1ccn(C)n1 112338984 343754902 /nfs/dbraw/zinc/75/49/02/343754902.db2.gz XXSMWUYEHXMJGF-SECBINFHSA-N 0 3 181.283 1.554 20 0 ADADHN Cn1ccc(CNCC(C)(C)C)n1 112343108 343755192 /nfs/dbraw/zinc/75/51/92/343755192.db2.gz ACUZUGNQLIVSBR-UHFFFAOYSA-N 0 3 181.283 1.556 20 0 ADADHN Cn1ccc(CNCCC(C)(C)C)n1 112343081 343755222 /nfs/dbraw/zinc/75/52/22/343755222.db2.gz XJPLXFOGVCRMRJ-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN Cn1ccc(CNC2(C)CCCC2)n1 112478785 343755475 /nfs/dbraw/zinc/75/54/75/343755475.db2.gz VAHGULNWUXQUNT-UHFFFAOYSA-N 0 3 193.294 1.842 20 0 ADADHN CCC(C)(C)NCc1ccn(C)n1 112478725 343755692 /nfs/dbraw/zinc/75/56/92/343755692.db2.gz NHGPKQPIWLUITL-UHFFFAOYSA-N 0 3 181.283 1.698 20 0 ADADHN N=C(NO)c1cccc2[nH]ccc12 113261066 343757589 /nfs/dbraw/zinc/75/75/89/343757589.db2.gz FIPMKQHXKKFRDZ-UHFFFAOYSA-N 0 3 175.191 1.472 20 0 ADADHN CCC(CC)CNCc1ccn(C)n1 113310705 343758214 /nfs/dbraw/zinc/75/82/14/343758214.db2.gz ZKORGXZLLXNOPU-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN CCC[C@H](C)N1CCOCC1 113356446 343758645 /nfs/dbraw/zinc/75/86/45/343758645.db2.gz ZGBULBQFJOLCJK-VIFPVBQESA-N 0 3 157.257 1.507 20 0 ADADHN CCC(C)(C)C(=O)NCCN(C)C 113764513 343760300 /nfs/dbraw/zinc/76/03/00/343760300.db2.gz IYJSDFVOBNJWQI-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CC(C)CCN1CCN(C)CC1 113833282 343760529 /nfs/dbraw/zinc/76/05/29/343760529.db2.gz TWEKXRSLSNKCNE-UHFFFAOYSA-N 0 3 170.300 1.280 20 0 ADADHN CC[C@@H]1COCCN1CC 114789212 343764012 /nfs/dbraw/zinc/76/40/12/343764012.db2.gz VZAPALWYTDBZDX-MRVPVSSYSA-N 0 3 143.230 1.117 20 0 ADADHN CC[C@H]1COCCN1CC 114789213 343764421 /nfs/dbraw/zinc/76/44/21/343764421.db2.gz VZAPALWYTDBZDX-QMMMGPOBSA-N 0 3 143.230 1.117 20 0 ADADHN CC(C)[C@@H]1CN(C(C)C)CCO1 115248700 343765889 /nfs/dbraw/zinc/76/58/89/343765889.db2.gz RARYUOXQYIFTED-JTQLQIEISA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)[C@H]1CN(C(C)C)CCO1 115248702 343765912 /nfs/dbraw/zinc/76/59/12/343765912.db2.gz RARYUOXQYIFTED-SNVBAGLBSA-N 0 3 171.284 1.752 20 0 ADADHN Cc1cc(C(=N)NO)cc(C)n1 115413965 343766437 /nfs/dbraw/zinc/76/64/37/343766437.db2.gz SBZMTNVCOFYKPN-UHFFFAOYSA-N 0 3 165.196 1.003 20 0 ADADHN C[C@@H]1CCCN(Cc2c[nH]cn2)C1 115486772 343767057 /nfs/dbraw/zinc/76/70/57/343767057.db2.gz FFTYZXRGYXVOEJ-SECBINFHSA-N 0 3 179.267 1.642 20 0 ADADHN C[C@@H]1CCCN(Cc2cnc[nH]2)C1 115486772 343767058 /nfs/dbraw/zinc/76/70/58/343767058.db2.gz FFTYZXRGYXVOEJ-SECBINFHSA-N 0 3 179.267 1.642 20 0 ADADHN C[C@H]1CCCN(Cc2c[nH]cn2)C1 115486774 343767067 /nfs/dbraw/zinc/76/70/67/343767067.db2.gz FFTYZXRGYXVOEJ-VIFPVBQESA-N 0 3 179.267 1.642 20 0 ADADHN C[C@H]1CCCN(Cc2cnc[nH]2)C1 115486774 343767069 /nfs/dbraw/zinc/76/70/69/343767069.db2.gz FFTYZXRGYXVOEJ-VIFPVBQESA-N 0 3 179.267 1.642 20 0 ADADHN CC1(C)C[C@@H](N)c2cccnc2O1 116868785 343770606 /nfs/dbraw/zinc/77/06/06/343770606.db2.gz GIUGQXITEHLIQC-MRVPVSSYSA-N 0 3 178.235 1.643 20 0 ADADHN CN(CC(=O)N(C)C)CC(C)(C)C 116878283 343770714 /nfs/dbraw/zinc/77/07/14/343770714.db2.gz CFUSOYMKMGWEMN-UHFFFAOYSA-N 0 3 186.299 1.053 20 0 ADADHN CC1(C)C[C@H](N)c2cccnc2O1 116868787 343771013 /nfs/dbraw/zinc/77/10/13/343771013.db2.gz GIUGQXITEHLIQC-QMMMGPOBSA-N 0 3 178.235 1.643 20 0 ADADHN CN1CCN([C@@H]2C=CCCC2)CC1 117238040 343771993 /nfs/dbraw/zinc/77/19/93/343771993.db2.gz JLIVUUNCIDLSTD-LLVKDONJSA-N 0 3 180.295 1.343 20 0 ADADHN CN1CCN([C@H]2C=CCCC2)CC1 117238039 343772223 /nfs/dbraw/zinc/77/22/23/343772223.db2.gz JLIVUUNCIDLSTD-NSHDSACASA-N 0 3 180.295 1.343 20 0 ADADHN CN1Cc2cc(N)ccc2C(C)(C)C1 117630361 343773514 /nfs/dbraw/zinc/77/35/14/343773514.db2.gz HMDMSALIWQEZAX-UHFFFAOYSA-N 0 3 190.290 1.992 20 0 ADADHN Cc1cnc(CN)c(C(F)(F)F)c1 117986216 343773726 /nfs/dbraw/zinc/77/37/26/343773726.db2.gz FVWCMBDLVCBIEE-UHFFFAOYSA-N 0 3 190.168 1.868 20 0 ADADHN CCN(C)Cc1ccccn1 118637910 343775934 /nfs/dbraw/zinc/77/59/34/343775934.db2.gz QXZWWGILGFOSJY-UHFFFAOYSA-N 0 3 150.225 1.533 20 0 ADADHN CC(C)N1CCO[C@H](C)C1 118601312 343776195 /nfs/dbraw/zinc/77/61/95/343776195.db2.gz OYTQNPFYXZXRCR-MRVPVSSYSA-N 0 3 143.230 1.116 20 0 ADADHN CCN(CCCO)Cc1ccoc1 122095635 343778019 /nfs/dbraw/zinc/77/80/19/343778019.db2.gz SCSUVUCJMXHKLM-UHFFFAOYSA-N 0 3 183.251 1.484 20 0 ADADHN C[C@@H](CNCc1cc[nH]n1)C1CC1 122230611 343778562 /nfs/dbraw/zinc/77/85/62/343778562.db2.gz QFOCGCBDWBWNBW-QMMMGPOBSA-N 0 3 179.267 1.545 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1cc[nH]n1 122218190 343778577 /nfs/dbraw/zinc/77/85/77/343778577.db2.gz RNQGWUXCLJJZFE-HTQZYQBOSA-N 0 3 165.240 1.155 20 0 ADADHN C[C@@H](CNCc1ncc[nH]1)C1CC1 122260240 343778645 /nfs/dbraw/zinc/77/86/45/343778645.db2.gz SHKHIVTUFRKQBK-QMMMGPOBSA-N 0 3 179.267 1.545 20 0 ADADHN C[C@H]1C[C@H]1CNCc1cc[nH]n1 122218844 343778677 /nfs/dbraw/zinc/77/86/77/343778677.db2.gz RNQGWUXCLJJZFE-YUMQZZPRSA-N 0 3 165.240 1.155 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1cc[nH]n1 122218402 343778683 /nfs/dbraw/zinc/77/86/83/343778683.db2.gz RNQGWUXCLJJZFE-JGVFFNPUSA-N 0 3 165.240 1.155 20 0 ADADHN C[C@H](CNCc1ncc[nH]1)C1CC1 122260442 343778704 /nfs/dbraw/zinc/77/87/04/343778704.db2.gz SHKHIVTUFRKQBK-MRVPVSSYSA-N 0 3 179.267 1.545 20 0 ADADHN C[C@@H](CNCc1ccn(C)n1)C1CC1 122231796 343778757 /nfs/dbraw/zinc/77/87/57/343778757.db2.gz QOXOTQISXLXCAA-VIFPVBQESA-N 0 3 193.294 1.556 20 0 ADADHN C[C@H](CNCc1cc[nH]n1)C1CC1 122230829 343778764 /nfs/dbraw/zinc/77/87/64/343778764.db2.gz QFOCGCBDWBWNBW-MRVPVSSYSA-N 0 3 179.267 1.545 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1cc[nH]n1 122218614 343778773 /nfs/dbraw/zinc/77/87/73/343778773.db2.gz RNQGWUXCLJJZFE-SFYZADRCSA-N 0 3 165.240 1.155 20 0 ADADHN C[C@H](CNCc1ccn(C)n1)C1CC1 122231916 343778781 /nfs/dbraw/zinc/77/87/81/343778781.db2.gz QOXOTQISXLXCAA-SECBINFHSA-N 0 3 193.294 1.556 20 0 ADADHN COCC(C)(C)NCc1c[nH]nc1C 122245615 343778823 /nfs/dbraw/zinc/77/88/23/343778823.db2.gz OYHVIANLKLUZMV-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN C[C@@H]1CN(CCCCO)CCS1 122510036 343779953 /nfs/dbraw/zinc/77/99/53/343779953.db2.gz RLXPVUPEQSRCIL-SECBINFHSA-N 0 3 189.324 1.196 20 0 ADADHN CC[C@H](O)CN1CCS[C@H](C)C1 122788875 343781042 /nfs/dbraw/zinc/78/10/42/343781042.db2.gz VZTZDTIZAGRCMG-BDAKNGLRSA-N 0 3 189.324 1.195 20 0 ADADHN CC[C@@H](O)CN1CCS[C@H](C)C1 122789104 343781143 /nfs/dbraw/zinc/78/11/43/343781143.db2.gz VZTZDTIZAGRCMG-RKDXNWHRSA-N 0 3 189.324 1.195 20 0 ADADHN CCC[C@H](O)CNCc1ccncc1 123303654 343782444 /nfs/dbraw/zinc/78/24/44/343782444.db2.gz XIIZDNYUKUSLQS-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CCC[C@@H](O)CNCc1ccc(C)o1 123291044 343782242 /nfs/dbraw/zinc/78/22/42/343782242.db2.gz WXHOXLGJHAQIGO-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN CC(C)[C@](C)(O)CNCc1ccco1 123269413 343782253 /nfs/dbraw/zinc/78/22/53/343782253.db2.gz XNBDNAZTXGKAPR-LLVKDONJSA-N 0 3 197.278 1.776 20 0 ADADHN C[C@H](O)CN1CC2(CCCCC2)C1 123261932 343782265 /nfs/dbraw/zinc/78/22/65/343782265.db2.gz MURKPZFOIRBQGQ-JTQLQIEISA-N 0 3 183.295 1.633 20 0 ADADHN CCC[C@H](O)CNCc1ccc(C)o1 123290812 343782291 /nfs/dbraw/zinc/78/22/91/343782291.db2.gz WXHOXLGJHAQIGO-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN CCC[C@H](O)CNCc1ccco1 123290415 343782394 /nfs/dbraw/zinc/78/23/94/343782394.db2.gz ADEWJJJNQTZIDY-VIFPVBQESA-N 0 3 183.251 1.530 20 0 ADADHN CCC[C@H](O)CNCc1cccnc1 123308003 343782400 /nfs/dbraw/zinc/78/24/00/343782400.db2.gz VLHXTZAITBQSBE-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CCC[C@@H](O)CNCc1ccsc1 123285492 343782406 /nfs/dbraw/zinc/78/24/06/343782406.db2.gz CKSOBAGLGFAILM-SNVBAGLBSA-N 0 3 199.319 1.999 20 0 ADADHN CCC[C@@H](O)CNCc1ccncc1 123303831 343782425 /nfs/dbraw/zinc/78/24/25/343782425.db2.gz XIIZDNYUKUSLQS-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN OC1(CNCc2ccccn2)CCC1 123177099 343782431 /nfs/dbraw/zinc/78/24/31/343782431.db2.gz KWWFBYFSJZFZFV-UHFFFAOYSA-N 0 3 192.262 1.086 20 0 ADADHN CC(C)[C@@](C)(O)CNCc1ccco1 123269622 343782453 /nfs/dbraw/zinc/78/24/53/343782453.db2.gz XNBDNAZTXGKAPR-NSHDSACASA-N 0 3 197.278 1.776 20 0 ADADHN C[C@H](O)CN1CC2(CCCC2)C1 123257952 343782456 /nfs/dbraw/zinc/78/24/56/343782456.db2.gz DJQWBMJTVJNOOP-VIFPVBQESA-N 0 3 169.268 1.243 20 0 ADADHN Cc1ccc(CNCC2(O)CCC2)o1 123190325 343782524 /nfs/dbraw/zinc/78/25/24/343782524.db2.gz PCIWQFMWUTVBSV-UHFFFAOYSA-N 0 3 195.262 1.593 20 0 ADADHN OC1(CNCc2cccnc2)CCC1 123180108 343782535 /nfs/dbraw/zinc/78/25/35/343782535.db2.gz GLHZWKKQJQMHDS-UHFFFAOYSA-N 0 3 192.262 1.086 20 0 ADADHN CCC[C@H](O)CNCc1ccsc1 123285309 343782620 /nfs/dbraw/zinc/78/26/20/343782620.db2.gz CKSOBAGLGFAILM-JTQLQIEISA-N 0 3 199.319 1.999 20 0 ADADHN CCC[C@@H](O)CNCc1ccco1 123290604 343782629 /nfs/dbraw/zinc/78/26/29/343782629.db2.gz ADEWJJJNQTZIDY-SECBINFHSA-N 0 3 183.251 1.530 20 0 ADADHN OC1(CNCc2ccncc2)CCC1 123181313 343782644 /nfs/dbraw/zinc/78/26/44/343782644.db2.gz XHXGKTJZOPELEM-UHFFFAOYSA-N 0 3 192.262 1.086 20 0 ADADHN CCC[C@@H](O)CNCc1cccnc1 123308205 343782684 /nfs/dbraw/zinc/78/26/84/343782684.db2.gz VLHXTZAITBQSBE-LLVKDONJSA-N 0 3 194.278 1.332 20 0 ADADHN OC1(CNCc2ccsc2)CCC1 123181533 343782752 /nfs/dbraw/zinc/78/27/52/343782752.db2.gz XGMCOLLJUVIFNS-UHFFFAOYSA-N 0 3 197.303 1.753 20 0 ADADHN OC1(CNCc2ccco2)CCC1 123171666 343782779 /nfs/dbraw/zinc/78/27/79/343782779.db2.gz KJQVQMFQPBROJF-UHFFFAOYSA-N 0 3 181.235 1.284 20 0 ADADHN Cc1cc(CNC2CC(C)C2)n(C)n1 123429545 343783607 /nfs/dbraw/zinc/78/36/07/343783607.db2.gz OWYIIWZADSFEHZ-UHFFFAOYSA-N 0 3 193.294 1.617 20 0 ADADHN Cc1ccc(CNC[C@@H](O)C(C)C)o1 123933624 343784832 /nfs/dbraw/zinc/78/48/32/343784832.db2.gz ODSNDHDJCQPWLF-LLVKDONJSA-N 0 3 197.278 1.695 20 0 ADADHN CC(C)[C@H](O)CNCc1cccnc1 123898866 343784850 /nfs/dbraw/zinc/78/48/50/343784850.db2.gz IKLVBQQMUSPFFL-LLVKDONJSA-N 0 3 194.278 1.188 20 0 ADADHN CC(C)[C@@H](O)CNCc1ccncc1 123908491 343784873 /nfs/dbraw/zinc/78/48/73/343784873.db2.gz KRQWYRKGNZSTBN-NSHDSACASA-N 0 3 194.278 1.188 20 0 ADADHN CC(C)[C@@H](O)CNCc1ccsc1 123934111 343784892 /nfs/dbraw/zinc/78/48/92/343784892.db2.gz IKBIZHZOIPLRTB-JTQLQIEISA-N 0 3 199.319 1.855 20 0 ADADHN CC(C)[C@@H](O)CNCc1ccco1 123901825 343785090 /nfs/dbraw/zinc/78/50/90/343785090.db2.gz DDGPOYSXNUYXJI-JTQLQIEISA-N 0 3 183.251 1.386 20 0 ADADHN C[C@H](CO)N[C@@H]1CCCc2occc21 123933366 343785194 /nfs/dbraw/zinc/78/51/94/343785194.db2.gz XPFCEFRHEZFGQU-PSASIEDQSA-N 0 3 195.262 1.627 20 0 ADADHN CC(C)[C@@H](O)CNCc1cccnc1 123899028 343785210 /nfs/dbraw/zinc/78/52/10/343785210.db2.gz IKLVBQQMUSPFFL-NSHDSACASA-N 0 3 194.278 1.188 20 0 ADADHN CC(C)[C@H](O)CNCc1ccccn1 123920589 343785238 /nfs/dbraw/zinc/78/52/38/343785238.db2.gz ZHUOVYZYRFLDJH-LLVKDONJSA-N 0 3 194.278 1.188 20 0 ADADHN CC(C)[C@H](O)CNCc1ccsc1 123933829 343785244 /nfs/dbraw/zinc/78/52/44/343785244.db2.gz IKBIZHZOIPLRTB-SNVBAGLBSA-N 0 3 199.319 1.855 20 0 ADADHN CC(C)[C@H](O)CNCc1ccncc1 123908288 343785316 /nfs/dbraw/zinc/78/53/16/343785316.db2.gz KRQWYRKGNZSTBN-LLVKDONJSA-N 0 3 194.278 1.188 20 0 ADADHN Cc1ccc(CNC[C@H](O)C(C)C)o1 123933387 343785318 /nfs/dbraw/zinc/78/53/18/343785318.db2.gz ODSNDHDJCQPWLF-NSHDSACASA-N 0 3 197.278 1.695 20 0 ADADHN CC(C)[C@H](O)CNCc1ccco1 123901601 343785321 /nfs/dbraw/zinc/78/53/21/343785321.db2.gz DDGPOYSXNUYXJI-SNVBAGLBSA-N 0 3 183.251 1.386 20 0 ADADHN CC(C)[C@@H](O)CNCc1ccccn1 123920837 343785326 /nfs/dbraw/zinc/78/53/26/343785326.db2.gz ZHUOVYZYRFLDJH-NSHDSACASA-N 0 3 194.278 1.188 20 0 ADADHN CC(C)NCc1c(Cl)cnn1C 124126444 343785544 /nfs/dbraw/zinc/78/55/44/343785544.db2.gz CVMLBCLSPWFHAI-UHFFFAOYSA-N 0 3 187.674 1.572 20 0 ADADHN CC[C@H]1CC[C@@H](C)N1CC(=O)OC 124570930 343786818 /nfs/dbraw/zinc/78/68/18/343786818.db2.gz ZVUFRKFSRMNXEY-BDAKNGLRSA-N 0 3 185.267 1.422 20 0 ADADHN CC[C@H]1CC[C@H](C)N1CC(=O)OC 124570519 343786875 /nfs/dbraw/zinc/78/68/75/343786875.db2.gz ZVUFRKFSRMNXEY-IUCAKERBSA-N 0 3 185.267 1.422 20 0 ADADHN CCSCCN1CCC(O)CC1 124487527 343786884 /nfs/dbraw/zinc/78/68/84/343786884.db2.gz GOZKCWPRVITUDD-UHFFFAOYSA-N 0 3 189.324 1.196 20 0 ADADHN CC[C@@H]1CC[C@H](C)N1CC(=O)OC 124570327 343787040 /nfs/dbraw/zinc/78/70/40/343787040.db2.gz ZVUFRKFSRMNXEY-DTWKUNHWSA-N 0 3 185.267 1.422 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N1CC(=O)OC 124570736 343787078 /nfs/dbraw/zinc/78/70/78/343787078.db2.gz ZVUFRKFSRMNXEY-RKDXNWHRSA-N 0 3 185.267 1.422 20 0 ADADHN CCOC(=O)CN1[C@@H](CC)CC[C@H]1C 124595559 343787347 /nfs/dbraw/zinc/78/73/47/343787347.db2.gz QEMZAIZNXCQXJZ-ZJUUUORDSA-N 0 3 199.294 1.812 20 0 ADADHN CCOC(=O)CN1[C@@H](C)CC[C@H]1CC 124594971 343787694 /nfs/dbraw/zinc/78/76/94/343787694.db2.gz QEMZAIZNXCQXJZ-VHSXEESVSA-N 0 3 199.294 1.812 20 0 ADADHN C[C@H]1CC[C@H](NCc2ccn(C)n2)C1 124700153 343787434 /nfs/dbraw/zinc/78/74/34/343787434.db2.gz COSMXKYYDRJOKT-UWVGGRQHSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 124700610 343787444 /nfs/dbraw/zinc/78/74/44/343787444.db2.gz COSMXKYYDRJOKT-VHSXEESVSA-N 0 3 193.294 1.698 20 0 ADADHN CCOC(=O)CN1[C@H](C)CC[C@H]1CC 124595306 343787619 /nfs/dbraw/zinc/78/76/19/343787619.db2.gz QEMZAIZNXCQXJZ-NXEZZACHSA-N 0 3 199.294 1.812 20 0 ADADHN CCOC(=O)CN1[C@@H](C)CC[C@@H]1CC 124595119 343787872 /nfs/dbraw/zinc/78/78/72/343787872.db2.gz QEMZAIZNXCQXJZ-UWVGGRQHSA-N 0 3 199.294 1.812 20 0 ADADHN CSC[C@@H](C)NCc1ccncc1 124992558 343788086 /nfs/dbraw/zinc/78/80/86/343788086.db2.gz YGXWHCKJGBUQNI-SECBINFHSA-N 0 3 196.319 1.923 20 0 ADADHN CSC[C@@H](C)NCc1ccccn1 124982693 343788100 /nfs/dbraw/zinc/78/81/00/343788100.db2.gz CUYZKDFBKGSRNN-SECBINFHSA-N 0 3 196.319 1.923 20 0 ADADHN CSC[C@H](C)NCc1c[nH]nc1C 124995141 343788119 /nfs/dbraw/zinc/78/81/19/343788119.db2.gz BSTJZDKTKBDXSF-ZETCQYMHSA-N 0 3 199.323 1.559 20 0 ADADHN CSC[C@H](C)NCc1cccnc1 124973941 343788127 /nfs/dbraw/zinc/78/81/27/343788127.db2.gz TZFTXXYWYMKYBO-VIFPVBQESA-N 0 3 196.319 1.923 20 0 ADADHN CSC[C@@H](C)NCc1c[nH]nc1C 124995319 343788185 /nfs/dbraw/zinc/78/81/85/343788185.db2.gz BSTJZDKTKBDXSF-SSDOTTSWSA-N 0 3 199.323 1.559 20 0 ADADHN CSC[C@@H](C)NCc1cnn(C)c1 125010139 343788210 /nfs/dbraw/zinc/78/82/10/343788210.db2.gz MGTDVINLNPAIEB-MRVPVSSYSA-N 0 3 199.323 1.261 20 0 ADADHN CSC[C@@H](C)NCc1cncn1C 124979148 343788272 /nfs/dbraw/zinc/78/82/72/343788272.db2.gz WKGPCQFVRZSUPG-MRVPVSSYSA-N 0 3 199.323 1.261 20 0 ADADHN CSC[C@H](C)NCc1ccncc1 124992365 343788392 /nfs/dbraw/zinc/78/83/92/343788392.db2.gz YGXWHCKJGBUQNI-VIFPVBQESA-N 0 3 196.319 1.923 20 0 ADADHN CSC[C@H](C)NCc1ccccn1 124982484 343788432 /nfs/dbraw/zinc/78/84/32/343788432.db2.gz CUYZKDFBKGSRNN-VIFPVBQESA-N 0 3 196.319 1.923 20 0 ADADHN CSC[C@H](C)NCc1cnn(C)c1 125009985 343788479 /nfs/dbraw/zinc/78/84/79/343788479.db2.gz MGTDVINLNPAIEB-QMMMGPOBSA-N 0 3 199.323 1.261 20 0 ADADHN CSC[C@H](C)NCc1cncn1C 124978881 343788487 /nfs/dbraw/zinc/78/84/87/343788487.db2.gz WKGPCQFVRZSUPG-QMMMGPOBSA-N 0 3 199.323 1.261 20 0 ADADHN CC(C)[C@H](O)CNCc1cccn1C 125252599 343789519 /nfs/dbraw/zinc/78/95/19/343789519.db2.gz FKFFRSKUMKBBFZ-LLVKDONJSA-N 0 3 196.294 1.132 20 0 ADADHN CN(Cc1ccccn1)C(C)(C)CO 125144489 343789621 /nfs/dbraw/zinc/78/96/21/343789621.db2.gz WEDNGYAWEITRBS-UHFFFAOYSA-N 0 3 194.278 1.284 20 0 ADADHN CC(C)[C@@H](O)CNCc1cccn1C 125252835 343789714 /nfs/dbraw/zinc/78/97/14/343789714.db2.gz FKFFRSKUMKBBFZ-NSHDSACASA-N 0 3 196.294 1.132 20 0 ADADHN CN(CCC(F)(F)F)C(C)(C)CO 125688125 343791442 /nfs/dbraw/zinc/79/14/42/343791442.db2.gz UJKDPAQEPUCDFE-UHFFFAOYSA-N 0 3 199.216 1.642 20 0 ADADHN CC[C@H](CCO)NCc1ccccn1 125789340 343792347 /nfs/dbraw/zinc/79/23/47/343792347.db2.gz DZHCKPCXEQYZGB-SNVBAGLBSA-N 0 3 194.278 1.332 20 0 ADADHN COCC(C)(C)NCCC(F)(F)F 125822120 343792360 /nfs/dbraw/zinc/79/23/60/343792360.db2.gz CJJHFHKXQVJJQW-UHFFFAOYSA-N 0 3 199.216 1.953 20 0 ADADHN CC[C@@H](CCO)NCc1cccnc1 125792670 343792442 /nfs/dbraw/zinc/79/24/42/343792442.db2.gz GCENFSKFXUYIEY-NSHDSACASA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@@H](CCO)NCc1ccc(C)o1 125797603 343792476 /nfs/dbraw/zinc/79/24/76/343792476.db2.gz MUBCGEKKBCSAJW-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@H](CCO)NCc1ccccn1 125789174 343792500 /nfs/dbraw/zinc/79/25/00/343792500.db2.gz DZHCKPCXEQYZGB-JTQLQIEISA-N 0 3 194.278 1.332 20 0 ADADHN CC[C@H](CCO)NCc1ccc(C)o1 125797813 343792550 /nfs/dbraw/zinc/79/25/50/343792550.db2.gz MUBCGEKKBCSAJW-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1nn(C)cc1CN[C@H]1CC1(C)C 125991807 343792727 /nfs/dbraw/zinc/79/27/27/343792727.db2.gz HLDRWYOCXNUGRQ-JTQLQIEISA-N 0 3 193.294 1.617 20 0 ADADHN Cc1nn(C)cc1CNC1CCC1 126033185 343792773 /nfs/dbraw/zinc/79/27/73/343792773.db2.gz FYOHNOQBSZZPNZ-UHFFFAOYSA-N 0 3 179.267 1.371 20 0 ADADHN CCSCCN(CCO)C1CC1 126247212 343792860 /nfs/dbraw/zinc/79/28/60/343792860.db2.gz VVDXDZGCEIWFAC-UHFFFAOYSA-N 0 3 189.324 1.196 20 0 ADADHN CSCCNCc1cn(C)nc1C 125926230 343792882 /nfs/dbraw/zinc/79/28/82/343792882.db2.gz JEQMEBPGONMPEQ-UHFFFAOYSA-N 0 3 199.323 1.181 20 0 ADADHN CN(Cc1ccncc1)C(C)(C)CO 126273437 343793339 /nfs/dbraw/zinc/79/33/39/343793339.db2.gz ZIYWFWDOZQKIMG-UHFFFAOYSA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@@H](CO)NCc1occc1C 126615950 343794846 /nfs/dbraw/zinc/79/48/46/343794846.db2.gz FKUNTUJHPUGRKC-VIFPVBQESA-N 0 3 183.251 1.449 20 0 ADADHN Cc1ccoc1CNC[C@H](C)O 126602768 343794893 /nfs/dbraw/zinc/79/48/93/343794893.db2.gz YIEXLXNUYMCBKZ-QMMMGPOBSA-N 0 3 169.224 1.058 20 0 ADADHN COC[C@@H](C)NCc1occc1C 126604903 343795048 /nfs/dbraw/zinc/79/50/48/343795048.db2.gz ABLYXGVWOFONLI-SECBINFHSA-N 0 3 183.251 1.713 20 0 ADADHN Cc1ccoc1CNC[C@@H](C)O 126602547 343795055 /nfs/dbraw/zinc/79/50/55/343795055.db2.gz YIEXLXNUYMCBKZ-MRVPVSSYSA-N 0 3 169.224 1.058 20 0 ADADHN COC[C@H](C)NCc1occc1C 126604722 343795111 /nfs/dbraw/zinc/79/51/11/343795111.db2.gz ABLYXGVWOFONLI-VIFPVBQESA-N 0 3 183.251 1.713 20 0 ADADHN COCCCNCc1occc1C 126614919 343795156 /nfs/dbraw/zinc/79/51/56/343795156.db2.gz IWPVFTNMSYSOFS-UHFFFAOYSA-N 0 3 183.251 1.714 20 0 ADADHN CC[C@H](CO)NCc1occc1C 126616172 343795179 /nfs/dbraw/zinc/79/51/79/343795179.db2.gz FKUNTUJHPUGRKC-SECBINFHSA-N 0 3 183.251 1.449 20 0 ADADHN Cc1ccoc1CNC[C@H]1CCOC1 126660849 343795346 /nfs/dbraw/zinc/79/53/46/343795346.db2.gz AOPZPSPCGHUCMW-SNVBAGLBSA-N 0 3 195.262 1.714 20 0 ADADHN Cn1cc(CNCCC(C)(C)C)nn1 126650007 343795392 /nfs/dbraw/zinc/79/53/92/343795392.db2.gz SRTMEGZARJHEIT-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN Cc1ccoc1CNC[C@@H]1CCOC1 126660609 343795687 /nfs/dbraw/zinc/79/56/87/343795687.db2.gz AOPZPSPCGHUCMW-JTQLQIEISA-N 0 3 195.262 1.714 20 0 ADADHN Cc1ccoc1CN[C@H](C)CCO 126702127 343795854 /nfs/dbraw/zinc/79/58/54/343795854.db2.gz CEQYVOCISYAYLD-SECBINFHSA-N 0 3 183.251 1.449 20 0 ADADHN COC[C@H](C)CNCc1occc1C 126726135 343795908 /nfs/dbraw/zinc/79/59/08/343795908.db2.gz FNFNYYGBAQJDMN-SECBINFHSA-N 0 3 197.278 1.960 20 0 ADADHN Cc1ccoc1CNC1CCOCC1 126706459 343796015 /nfs/dbraw/zinc/79/60/15/343796015.db2.gz OAFVEZJBKHXGKF-UHFFFAOYSA-N 0 3 195.262 1.857 20 0 ADADHN COC[C@@H](C)CNCc1occc1C 126726326 343796021 /nfs/dbraw/zinc/79/60/21/343796021.db2.gz FNFNYYGBAQJDMN-VIFPVBQESA-N 0 3 197.278 1.960 20 0 ADADHN Cc1ccoc1CNC[C@H](C)CO 126710726 343796080 /nfs/dbraw/zinc/79/60/80/343796080.db2.gz QFNHAFRREKCJDY-QMMMGPOBSA-N 0 3 183.251 1.306 20 0 ADADHN Cc1ccoc1CN[C@H](C)CO 126707677 343796149 /nfs/dbraw/zinc/79/61/49/343796149.db2.gz YLZSNGHUGRSEFW-MRVPVSSYSA-N 0 3 169.224 1.058 20 0 ADADHN Cc1ccoc1CNC[C@@H](C)CO 126710492 343796179 /nfs/dbraw/zinc/79/61/79/343796179.db2.gz QFNHAFRREKCJDY-MRVPVSSYSA-N 0 3 183.251 1.306 20 0 ADADHN CC[C@](C)(CO)NCc1occc1C 126759654 343796456 /nfs/dbraw/zinc/79/64/56/343796456.db2.gz SNLJYDIZJFJFNK-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@](C)(CO)NCc1occc1C 126759391 343796712 /nfs/dbraw/zinc/79/67/12/343796712.db2.gz SNLJYDIZJFJFNK-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CNCC1(O)CCC1 126793558 343797209 /nfs/dbraw/zinc/79/72/09/343797209.db2.gz YWFHZJNKGCGTRB-UHFFFAOYSA-N 0 3 195.262 1.593 20 0 ADADHN Cc1ccoc1CNCC(C)(C)O 126798644 343797234 /nfs/dbraw/zinc/79/72/34/343797234.db2.gz DEZVBYKZUJQFLW-UHFFFAOYSA-N 0 3 183.251 1.449 20 0 ADADHN Cc1ccoc1CN[C@H]1CCCOC1 126783690 343797243 /nfs/dbraw/zinc/79/72/43/343797243.db2.gz GVKFFYJUTGRTHM-JTQLQIEISA-N 0 3 195.262 1.857 20 0 ADADHN Cc1ccoc1CNC[C@@H](C)N(C)C 126768630 343797406 /nfs/dbraw/zinc/79/74/06/343797406.db2.gz UXICDZULDQMDKH-SNVBAGLBSA-N 0 3 196.294 1.628 20 0 ADADHN CC[C@](C)(O)CNCc1occc1C 126787547 343797414 /nfs/dbraw/zinc/79/74/14/343797414.db2.gz TYRZCIXHACGYKX-NSHDSACASA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@](C)(O)CNCc1occc1C 126787754 343797489 /nfs/dbraw/zinc/79/74/89/343797489.db2.gz TYRZCIXHACGYKX-LLVKDONJSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CNC(C)(C)CO 126809204 343797714 /nfs/dbraw/zinc/79/77/14/343797714.db2.gz YMRGNAVGBNBYHM-UHFFFAOYSA-N 0 3 183.251 1.449 20 0 ADADHN Cc1ccoc1CNC[C@H](O)C1CC1 126839435 343797672 /nfs/dbraw/zinc/79/76/72/343797672.db2.gz XYMFWQQVYAHYKH-JTQLQIEISA-N 0 3 195.262 1.449 20 0 ADADHN CCC[C@H](O)CNCc1occc1C 126817185 343797895 /nfs/dbraw/zinc/79/78/95/343797895.db2.gz OODMPHFKSNPWAE-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CNC[C@@H](O)C1CC1 126839684 343797952 /nfs/dbraw/zinc/79/79/52/343797952.db2.gz XYMFWQQVYAHYKH-SNVBAGLBSA-N 0 3 195.262 1.449 20 0 ADADHN Cc1ccoc1CNCC[C@H](C)O 126841446 343797983 /nfs/dbraw/zinc/79/79/83/343797983.db2.gz COBILBGWEHSTLS-VIFPVBQESA-N 0 3 183.251 1.449 20 0 ADADHN Cc1ccoc1CNCC1(C)COC1 126826978 343798059 /nfs/dbraw/zinc/79/80/59/343798059.db2.gz ZVTFQNGBWIZBGO-UHFFFAOYSA-N 0 3 195.262 1.714 20 0 ADADHN CCC[C@@H](O)CNCc1occc1C 126817401 343798121 /nfs/dbraw/zinc/79/81/21/343798121.db2.gz OODMPHFKSNPWAE-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN CCCC(C)(C)NCc1cn(C)nn1 126809415 343798167 /nfs/dbraw/zinc/79/81/67/343798167.db2.gz YTNCHWFRVYETMY-UHFFFAOYSA-N 0 3 196.298 1.483 20 0 ADADHN Cc1ccoc1CNC[C@H](O)C(C)C 126854455 343798458 /nfs/dbraw/zinc/79/84/58/343798458.db2.gz GVVWNQVWZVLCSG-JTQLQIEISA-N 0 3 197.278 1.695 20 0 ADADHN Cc1ccoc1CNC[C@@H](O)C(C)C 126854710 343798513 /nfs/dbraw/zinc/79/85/13/343798513.db2.gz GVVWNQVWZVLCSG-SNVBAGLBSA-N 0 3 197.278 1.695 20 0 ADADHN Cc1nc([C@@H]2[C@H](N)CCN2C)cs1 126920077 343800325 /nfs/dbraw/zinc/80/03/25/343800325.db2.gz ZAJXRQIWEAEQEL-APPZFPTMSA-N 0 3 197.307 1.155 20 0 ADADHN Cc1nc([C@H]2[C@H](N)CCN2C)cs1 126920347 343800417 /nfs/dbraw/zinc/80/04/17/343800417.db2.gz ZAJXRQIWEAEQEL-VXNVDRBHSA-N 0 3 197.307 1.155 20 0 ADADHN CC[C@H](CCO)NCc1occc1C 126949878 343800813 /nfs/dbraw/zinc/80/08/13/343800813.db2.gz WISTYIJQPCDUSA-SNVBAGLBSA-N 0 3 197.278 1.839 20 0 ADADHN CC[C@@H](CCO)NCc1occc1C 126949733 343800940 /nfs/dbraw/zinc/80/09/40/343800940.db2.gz WISTYIJQPCDUSA-JTQLQIEISA-N 0 3 197.278 1.839 20 0 ADADHN C[C@H](NCc1ccco1)[C@H]1CCOC1 127012455 343802518 /nfs/dbraw/zinc/80/25/18/343802518.db2.gz MEAGTCKVNSKBOW-UWVGGRQHSA-N 0 3 195.262 1.794 20 0 ADADHN C[C@@H](NCc1ccco1)[C@H]1CCOC1 127012721 343802774 /nfs/dbraw/zinc/80/27/74/343802774.db2.gz MEAGTCKVNSKBOW-ZJUUUORDSA-N 0 3 195.262 1.794 20 0 ADADHN C[C@H](NCc1ccco1)[C@@H]1CCOC1 127012016 343802812 /nfs/dbraw/zinc/80/28/12/343802812.db2.gz MEAGTCKVNSKBOW-VHSXEESVSA-N 0 3 195.262 1.794 20 0 ADADHN CC(C)(CCO)NCc1ccsc1 127121492 343804145 /nfs/dbraw/zinc/80/41/45/343804145.db2.gz VQNBHEBDBGZMLR-UHFFFAOYSA-N 0 3 199.319 1.999 20 0 ADADHN Cc1ccoc1CNC(C)(C)CCO 127122520 343804223 /nfs/dbraw/zinc/80/42/23/343804223.db2.gz WWSXZYFZKSGXTN-UHFFFAOYSA-N 0 3 197.278 1.839 20 0 ADADHN CC(C)(CCO)NCc1ccco1 127120051 343804324 /nfs/dbraw/zinc/80/43/24/343804324.db2.gz LEELHZXAOJYGCH-UHFFFAOYSA-N 0 3 183.251 1.530 20 0 ADADHN CC(C)(CCO)NCc1ccncc1 127123760 343804427 /nfs/dbraw/zinc/80/44/27/343804427.db2.gz XEOMIZKKKMXKAG-UHFFFAOYSA-N 0 3 194.278 1.332 20 0 ADADHN CC(C)(CCO)NCc1ccccn1 127139768 343804945 /nfs/dbraw/zinc/80/49/45/343804945.db2.gz ZKPFCTJBYFYGQF-UHFFFAOYSA-N 0 3 194.278 1.332 20 0 ADADHN CC(C)(CCO)NCc1cccnc1 127136008 343805006 /nfs/dbraw/zinc/80/50/06/343805006.db2.gz YEXGARJAKOLEBO-UHFFFAOYSA-N 0 3 194.278 1.332 20 0 ADADHN Cc1ccc(CNC(C)(C)CCO)o1 127139996 343805088 /nfs/dbraw/zinc/80/50/88/343805088.db2.gz CUMAQUNMFXKPJP-UHFFFAOYSA-N 0 3 197.278 1.839 20 0 ADADHN Cc1ccoc1CNC[C@@H](C)CCO 127153179 343805524 /nfs/dbraw/zinc/80/55/24/343805524.db2.gz KGDJENKVLHUIFA-VIFPVBQESA-N 0 3 197.278 1.696 20 0 ADADHN Cc1ccoc1CNC[C@H](C)CCO 127153389 343805752 /nfs/dbraw/zinc/80/57/52/343805752.db2.gz KGDJENKVLHUIFA-SECBINFHSA-N 0 3 197.278 1.696 20 0 ADADHN CN(C(=O)[C@H]1CCCCN1)C1CCC1 127406642 343810817 /nfs/dbraw/zinc/81/08/17/343810817.db2.gz KPCSBDGDDBJMMK-SNVBAGLBSA-N 0 3 196.294 1.139 20 0 ADADHN CN(C(=O)C1(N)CCCC1)C1CCC1 127379363 343810929 /nfs/dbraw/zinc/81/09/29/343810929.db2.gz QXISJXQFPNGJEE-UHFFFAOYSA-N 0 3 196.294 1.269 20 0 ADADHN CN(C(=O)[C@@H]1CCCCN1)C1CCC1 127406474 343810998 /nfs/dbraw/zinc/81/09/98/343810998.db2.gz KPCSBDGDDBJMMK-JTQLQIEISA-N 0 3 196.294 1.139 20 0 ADADHN CN(C(=O)[C@@H](N)C(C)(C)C)C1CCC1 127386249 343811275 /nfs/dbraw/zinc/81/12/75/343811275.db2.gz LHMMIOTVCMZNSV-SECBINFHSA-N 0 3 198.310 1.371 20 0 ADADHN CN(Cc1ccnc(N)c1)C1CCC1 127801981 343819852 /nfs/dbraw/zinc/81/98/52/343819852.db2.gz VLIIECLTAXAWHS-UHFFFAOYSA-N 0 3 191.278 1.648 20 0 ADADHN Cc1ccoc1CN1CCC[C@@H](O)C1 127993997 343823249 /nfs/dbraw/zinc/82/32/49/343823249.db2.gz OLFMONOUHNIOEI-SNVBAGLBSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccoc1CN1CCC[C@H](O)C1 127993758 343823285 /nfs/dbraw/zinc/82/32/85/343823285.db2.gz OLFMONOUHNIOEI-JTQLQIEISA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccoc1CN1CCC[C@@H]1CO 128071191 343823949 /nfs/dbraw/zinc/82/39/49/343823949.db2.gz GADIFJYOHMLXHA-SNVBAGLBSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccoc1CN1CC[C@@H](O)C1 128090824 343824606 /nfs/dbraw/zinc/82/46/06/343824606.db2.gz KXVIIKGFQNFVTO-SECBINFHSA-N 0 3 181.235 1.155 20 0 ADADHN Cc1ccc(F)c(CNC[C@H](C)O)c1 128203389 343826442 /nfs/dbraw/zinc/82/64/42/343826442.db2.gz AJEKGQYNFVWIBL-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(F)c(CNC[C@@H](C)O)c1 128225911 343826545 /nfs/dbraw/zinc/82/65/45/343826545.db2.gz AJEKGQYNFVWIBL-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccoc1CN1CCC[C@H]1CO 128336902 343829347 /nfs/dbraw/zinc/82/93/47/343829347.db2.gz GADIFJYOHMLXHA-JTQLQIEISA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccoc1CN1CC[C@H](CO)C1 128361445 343829866 /nfs/dbraw/zinc/82/98/66/343829866.db2.gz LDKMYYHBPYXODH-JTQLQIEISA-N 0 3 195.262 1.402 20 0 ADADHN Cc1ccoc1CN1CC[C@@H](CO)C1 128361681 343830221 /nfs/dbraw/zinc/83/02/21/343830221.db2.gz LDKMYYHBPYXODH-SNVBAGLBSA-N 0 3 195.262 1.402 20 0 ADADHN C[C@H]1CC[C@H](NCc2cnnn2C)C1 128462013 343831802 /nfs/dbraw/zinc/83/18/02/343831802.db2.gz ISHUNKKQPLZMEJ-IUCAKERBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CC[C@@H](NCc2cnnn2C)C1 128462428 343831895 /nfs/dbraw/zinc/83/18/95/343831895.db2.gz ISHUNKKQPLZMEJ-DTWKUNHWSA-N 0 3 194.282 1.093 20 0 ADADHN CCN(CCCO)Cc1cccnc1 128466070 343832355 /nfs/dbraw/zinc/83/23/55/343832355.db2.gz VTCYXLPQBGCMHO-UHFFFAOYSA-N 0 3 194.278 1.286 20 0 ADADHN CC[C@@H]1CN(CCCO)CCS1 128516316 343833229 /nfs/dbraw/zinc/83/32/29/343833229.db2.gz FZTUJWJZOCBKKY-SECBINFHSA-N 0 3 189.324 1.196 20 0 ADADHN C[C@H]1CC[C@@H](NCc2cnccn2)C1 128544679 343833338 /nfs/dbraw/zinc/83/33/38/343833338.db2.gz GKTLUIUILFXEBY-VHSXEESVSA-N 0 3 191.278 1.755 20 0 ADADHN CC[C@H]1CN(CCCO)CCS1 128516530 343833524 /nfs/dbraw/zinc/83/35/24/343833524.db2.gz FZTUJWJZOCBKKY-VIFPVBQESA-N 0 3 189.324 1.196 20 0 ADADHN C[C@H]1CC[C@H](NCc2cnccn2)C1 128544267 343833538 /nfs/dbraw/zinc/83/35/38/343833538.db2.gz GKTLUIUILFXEBY-UWVGGRQHSA-N 0 3 191.278 1.755 20 0 ADADHN CSC[C@H](C)NCc1ccnn1C 128851853 343838559 /nfs/dbraw/zinc/83/85/59/343838559.db2.gz DADLQXJFGHVBRO-QMMMGPOBSA-N 0 3 199.323 1.261 20 0 ADADHN CSC[C@@H](C)NCc1ccnn1C 128852056 343838742 /nfs/dbraw/zinc/83/87/42/343838742.db2.gz DADLQXJFGHVBRO-MRVPVSSYSA-N 0 3 199.323 1.261 20 0 ADADHN CC1CC(NCc2ccnn2C)C1 128891048 343839230 /nfs/dbraw/zinc/83/92/30/343839230.db2.gz RSDRSZZAZXKBGM-UHFFFAOYSA-N 0 3 179.267 1.308 20 0 ADADHN CC1CC(NCc2cc[nH]n2)C1 128863242 343839314 /nfs/dbraw/zinc/83/93/14/343839314.db2.gz YFYRINZHLFIAEK-UHFFFAOYSA-N 0 3 165.240 1.298 20 0 ADADHN Cc1n[nH]cc1CNC1CC(C)C1 128869351 343839323 /nfs/dbraw/zinc/83/93/23/343839323.db2.gz PIRDNZVKXOMTTL-UHFFFAOYSA-N 0 3 179.267 1.606 20 0 ADADHN CC1CC(NCc2cncn2C)C1 128873759 343839354 /nfs/dbraw/zinc/83/93/54/343839354.db2.gz HZMVWXPZTRAOMA-UHFFFAOYSA-N 0 3 179.267 1.308 20 0 ADADHN CC1CC(NCc2ccn(C)n2)C1 128888888 343839360 /nfs/dbraw/zinc/83/93/60/343839360.db2.gz MBCXZXPOPANAQS-UHFFFAOYSA-N 0 3 179.267 1.308 20 0 ADADHN Cc1n[nH]c(C)c1CNC1CC(C)C1 128862359 343839417 /nfs/dbraw/zinc/83/94/17/343839417.db2.gz PPDPETOOYZYLFC-UHFFFAOYSA-N 0 3 193.294 1.915 20 0 ADADHN CC1CC(NCc2ccccn2)C1 128883736 343839425 /nfs/dbraw/zinc/83/94/25/343839425.db2.gz JDQBOXOPGMXLLL-UHFFFAOYSA-N 0 3 176.263 1.970 20 0 ADADHN CC1CC(NCc2cnn(C)c2)C1 128877579 343839603 /nfs/dbraw/zinc/83/96/03/343839603.db2.gz FDFZQIJSZSZDSP-UHFFFAOYSA-N 0 3 179.267 1.308 20 0 ADADHN CCC(C=C1CNC1)CC 128932016 343840955 /nfs/dbraw/zinc/84/09/55/343840955.db2.gz XKYFAKLBUBEWDW-UHFFFAOYSA-N 0 3 139.242 1.952 20 0 ADADHN C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N)C1 129089689 343843730 /nfs/dbraw/zinc/84/37/30/343843730.db2.gz QANLHHIMMJHCOM-HTQZYQBOSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CC[C@@H](NC(=O)C(C)(C)N)C1 129089879 343843741 /nfs/dbraw/zinc/84/37/41/343843741.db2.gz QANLHHIMMJHCOM-JGVFFNPUSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H]1CC[C@H](NC(=O)C(C)(C)N)C1 129089228 343844030 /nfs/dbraw/zinc/84/40/30/343844030.db2.gz QANLHHIMMJHCOM-SFYZADRCSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CC[C@H](NC(=O)C(C)(C)N)C1 129089453 343844046 /nfs/dbraw/zinc/84/40/46/343844046.db2.gz QANLHHIMMJHCOM-YUMQZZPRSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1cc(F)cc2c1O[C@H](C)[C@@H]2N 129270710 343847520 /nfs/dbraw/zinc/84/75/20/343847520.db2.gz LTRHAXWZQGZLTG-MUWHJKNJSA-N 0 3 181.210 1.915 20 0 ADADHN Cc1cc(F)cc2c1O[C@@H](C)[C@@H]2N 129270914 343847741 /nfs/dbraw/zinc/84/77/41/343847741.db2.gz LTRHAXWZQGZLTG-RCOVLWMOSA-N 0 3 181.210 1.915 20 0 ADADHN Cc1cc(F)cc2c1O[C@@H](C)[C@H]2N 129271387 343847777 /nfs/dbraw/zinc/84/77/77/343847777.db2.gz LTRHAXWZQGZLTG-IMTBSYHQSA-N 0 3 181.210 1.915 20 0 ADADHN Cc1cc(F)cc2c1O[C@H](C)[C@H]2N 129271138 343847796 /nfs/dbraw/zinc/84/77/96/343847796.db2.gz LTRHAXWZQGZLTG-HZGVNTEJSA-N 0 3 181.210 1.915 20 0 ADADHN CCc1sc(CNC)nc1C 129516276 343852113 /nfs/dbraw/zinc/85/21/13/343852113.db2.gz KGLJBYZYKVEMSX-UHFFFAOYSA-N 0 3 170.281 1.733 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cnnn1C 129753390 343855870 /nfs/dbraw/zinc/85/58/70/343855870.db2.gz WNAYQKLBXSTDPL-SCZZXKLOSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cnnn1C 129753820 343855952 /nfs/dbraw/zinc/85/59/52/343855952.db2.gz WNAYQKLBXSTDPL-PSASIEDQSA-N 0 3 194.282 1.093 20 0 ADADHN CSCCNCc1ccncc1C 129768846 343855985 /nfs/dbraw/zinc/85/59/85/343855985.db2.gz DAEYOKCTECXBQQ-UHFFFAOYSA-N 0 3 196.319 1.843 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cnnn1C 129754036 343856041 /nfs/dbraw/zinc/85/60/41/343856041.db2.gz WNAYQKLBXSTDPL-WCBMZHEXSA-N 0 3 194.282 1.093 20 0 ADADHN Cn1nncc1CN[C@@H]1CC=CCC1 129772772 343856068 /nfs/dbraw/zinc/85/60/68/343856068.db2.gz YXOHUHJBFDVHMI-SECBINFHSA-N 0 3 192.266 1.013 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cnnn1C 129753617 343856113 /nfs/dbraw/zinc/85/61/13/343856113.db2.gz WNAYQKLBXSTDPL-WPRPVWTQSA-N 0 3 194.282 1.093 20 0 ADADHN Cn1nncc1CN[C@H]1CC=CCC1 129772576 343856143 /nfs/dbraw/zinc/85/61/43/343856143.db2.gz YXOHUHJBFDVHMI-VIFPVBQESA-N 0 3 192.266 1.013 20 0 ADADHN Cn1nncc1CNC1(C)CCCC1 129743170 343856175 /nfs/dbraw/zinc/85/61/75/343856175.db2.gz QMMNKUOXKVCZDV-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN C[C@H](N[C@H]1CCC[C@@H]1O)c1ccoc1 129910832 343858840 /nfs/dbraw/zinc/85/88/40/343858840.db2.gz LZULDDJIAFNXGW-LSJOCFKGSA-N 0 3 195.262 1.844 20 0 ADADHN c1cn2c3c(nc2s1)CCNC3 130324897 343867090 /nfs/dbraw/zinc/86/70/90/343867090.db2.gz FDKMMYMJDIEKSJ-UHFFFAOYSA-N 0 3 179.248 1.042 20 0 ADADHN Cc1ccc(N[C@@H](C)CN(C)C)nn1 130615893 343870977 /nfs/dbraw/zinc/87/09/77/343870977.db2.gz XFWNMXPAZVULDM-VIFPVBQESA-N 0 3 194.282 1.147 20 0 ADADHN C[C@@H](CN(C)C)Nc1ncccc1F 130599821 343871026 /nfs/dbraw/zinc/87/10/26/343871026.db2.gz DFKRPMUUTIETQV-QMMMGPOBSA-N 0 3 197.257 1.583 20 0 ADADHN Cc1cnc(N[C@@H](C)CN(C)C)nc1 130598016 343871032 /nfs/dbraw/zinc/87/10/32/343871032.db2.gz WDIBIDGLDPXIDE-VIFPVBQESA-N 0 3 194.282 1.147 20 0 ADADHN Cc1ccnc(N[C@@H](C)CN(C)C)n1 130611260 343871042 /nfs/dbraw/zinc/87/10/42/343871042.db2.gz YDDOBYQKLAKDET-VIFPVBQESA-N 0 3 194.282 1.147 20 0 ADADHN C[C@@H](CN(C)C)Nc1cccc(F)n1 130658614 343872267 /nfs/dbraw/zinc/87/22/67/343872267.db2.gz PTGYFYIJPZJGRR-QMMMGPOBSA-N 0 3 197.257 1.583 20 0 ADADHN C1=CCC(NCc2ncc[nH]2)C1 131185577 343881238 /nfs/dbraw/zinc/88/12/38/343881238.db2.gz BNFRGPJJVACNNJ-UHFFFAOYSA-N 0 3 163.224 1.218 20 0 ADADHN C1=CCC(NCc2ccccn2)C1 131185347 343881280 /nfs/dbraw/zinc/88/12/80/343881280.db2.gz YZKKNHXQCSSLJW-UHFFFAOYSA-N 0 3 174.247 1.890 20 0 ADADHN C[C@H](NC1CC1)c1cncs1 131902109 343890802 /nfs/dbraw/zinc/89/08/02/343890802.db2.gz GKAQHPUOPHAPDE-LURJTMIESA-N 0 3 168.265 1.956 20 0 ADADHN COC(=O)[C@@H](C)N1C[C@H]2CCC[C@H]2C1 132020889 343892123 /nfs/dbraw/zinc/89/21/23/343892123.db2.gz FEYGVZVWGQEURG-BBBLOLIVSA-N 0 3 197.278 1.280 20 0 ADADHN COC(=O)[C@H](C)N1C[C@H]2CCC[C@H]2C1 132020694 343892428 /nfs/dbraw/zinc/89/24/28/343892428.db2.gz FEYGVZVWGQEURG-LPEHRKFASA-N 0 3 197.278 1.280 20 0 ADADHN COC(=O)[C@H](C)N1C[C@H]2CCC[C@@H]2C1 132021114 343892798 /nfs/dbraw/zinc/89/27/98/343892798.db2.gz FEYGVZVWGQEURG-IVZWLZJFSA-N 0 3 197.278 1.280 20 0 ADADHN OCCN[C@H]1CCc2cc(F)ccc21 132210058 343895556 /nfs/dbraw/zinc/89/55/56/343895556.db2.gz HKWUEJBDMARUNK-NSHDSACASA-N 0 3 195.237 1.395 20 0 ADADHN OCCN[C@@H]1CCc2cc(F)ccc21 132210271 343895572 /nfs/dbraw/zinc/89/55/72/343895572.db2.gz HKWUEJBDMARUNK-LLVKDONJSA-N 0 3 195.237 1.395 20 0 ADADHN c1cc2c(c(CNC3CC3)c1)OCC2 132512944 343899509 /nfs/dbraw/zinc/89/95/09/343899509.db2.gz DKANYCFVPDEXEM-UHFFFAOYSA-N 0 3 189.258 1.874 20 0 ADADHN C[C@H]1C[C@H]1CNCc1cscn1 132638455 343901884 /nfs/dbraw/zinc/90/18/84/343901884.db2.gz WWEOITTZNZQIQY-YUMQZZPRSA-N 0 3 182.292 1.889 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1cscn1 132637840 343901889 /nfs/dbraw/zinc/90/18/89/343901889.db2.gz WWEOITTZNZQIQY-HTQZYQBOSA-N 0 3 182.292 1.889 20 0 ADADHN C[C@H](NCc1nccn1C)C(C)(C)C 132850472 343905789 /nfs/dbraw/zinc/90/57/89/343905789.db2.gz ZARMLLDKXGUOIF-VIFPVBQESA-N 0 3 195.310 1.944 20 0 ADADHN C[C@H](NCc1cc[nH]n1)C(C)(C)C 132847816 343905812 /nfs/dbraw/zinc/90/58/12/343905812.db2.gz UDVKGZXGLFSFFQ-QMMMGPOBSA-N 0 3 181.283 1.934 20 0 ADADHN C[C@@H](NCc1nccn1C)C(C)(C)C 132850688 343905821 /nfs/dbraw/zinc/90/58/21/343905821.db2.gz ZARMLLDKXGUOIF-SECBINFHSA-N 0 3 195.310 1.944 20 0 ADADHN C[C@@H](NCc1cc[nH]n1)C(C)(C)C 132848014 343905840 /nfs/dbraw/zinc/90/58/40/343905840.db2.gz UDVKGZXGLFSFFQ-MRVPVSSYSA-N 0 3 181.283 1.934 20 0 ADADHN COC(C)(C)CNCc1ccco1 133006861 343910007 /nfs/dbraw/zinc/91/00/07/343910007.db2.gz CYKAMMWXPCCIOY-UHFFFAOYSA-N 0 3 183.251 1.794 20 0 ADADHN COC(C)(C)CNCc1ccncc1 133013125 343910043 /nfs/dbraw/zinc/91/00/43/343910043.db2.gz BJOGKJBNXJZYIF-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN COC(C)(C)CNCc1cccnc1 133027842 343910421 /nfs/dbraw/zinc/91/04/21/343910421.db2.gz MODZYPZVYIOPMD-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN COC(C)(C)CNCc1c[nH]nc1C 133026692 343910597 /nfs/dbraw/zinc/91/05/97/343910597.db2.gz OVZKFTQWUZHQAV-UHFFFAOYSA-N 0 3 197.282 1.233 20 0 ADADHN COC(C)(C)CNCc1ccccn1 133032522 343910615 /nfs/dbraw/zinc/91/06/15/343910615.db2.gz OLTSRKYFFXUBFH-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN COC(C)(C)CNCc1cccn1C 133020724 343910663 /nfs/dbraw/zinc/91/06/63/343910663.db2.gz HSOWCVKYPQOYTM-UHFFFAOYSA-N 0 3 196.294 1.540 20 0 ADADHN CC[C@H]1CN(C[C@@H](C)O)CCS1 133144456 343912634 /nfs/dbraw/zinc/91/26/34/343912634.db2.gz XYPCKLLJIGCHFH-BDAKNGLRSA-N 0 3 189.324 1.195 20 0 ADADHN CC[C@@H]1CN(C[C@@H](C)O)CCS1 133144255 343912899 /nfs/dbraw/zinc/91/28/99/343912899.db2.gz XYPCKLLJIGCHFH-RKDXNWHRSA-N 0 3 189.324 1.195 20 0 ADADHN CC(C)(C)c1noc(C(C)(C)CN)n1 133747928 343925723 /nfs/dbraw/zinc/92/57/23/343925723.db2.gz MOCWBZSDGWBCIT-UHFFFAOYSA-N 0 3 197.282 1.603 20 0 ADADHN C[C@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 133805457 343927249 /nfs/dbraw/zinc/92/72/49/343927249.db2.gz CSWOSPBBIQBWBA-GUBZILKMSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H]1OCC[C@@H]1NCc1ccco1 133942170 343930085 /nfs/dbraw/zinc/93/00/85/343930085.db2.gz STXOWZJHHPJARJ-SCZZXKLOSA-N 0 3 181.235 1.547 20 0 ADADHN CC[C@@H](C)N1CCCC2(C1)OCCO2 134019916 343931657 /nfs/dbraw/zinc/93/16/57/343931657.db2.gz RBBFGOSMHUOYMO-SNVBAGLBSA-N 0 3 199.294 1.624 20 0 ADADHN CC[C@H](C)N1CCCC2(C1)OCCO2 134020112 343931766 /nfs/dbraw/zinc/93/17/66/343931766.db2.gz RBBFGOSMHUOYMO-JTQLQIEISA-N 0 3 199.294 1.624 20 0 ADADHN CCCCN1CCCC2(C1)OCCO2 134030735 343932327 /nfs/dbraw/zinc/93/23/27/343932327.db2.gz ZNYFDKUCUKMWNM-UHFFFAOYSA-N 0 3 199.294 1.625 20 0 ADADHN C[C@@H]1OCC[C@@H]1NCc1ccn(C)c1 134089823 343933239 /nfs/dbraw/zinc/93/32/39/343933239.db2.gz OZNXPZWXOGUJBN-ONGXEEELSA-N 0 3 194.278 1.292 20 0 ADADHN C[C@H]1OCC[C@@H]1NCc1ccn(C)c1 134089611 343933395 /nfs/dbraw/zinc/93/33/95/343933395.db2.gz OZNXPZWXOGUJBN-KOLCDFICSA-N 0 3 194.278 1.292 20 0 ADADHN C[C@@H]1OCC[C@H]1NCc1ccn(C)c1 134089427 343933643 /nfs/dbraw/zinc/93/36/43/343933643.db2.gz OZNXPZWXOGUJBN-GXSJLCMTSA-N 0 3 194.278 1.292 20 0 ADADHN C[C@H]1OCC[C@H]1NCc1ccn(C)c1 134089204 343933670 /nfs/dbraw/zinc/93/36/70/343933670.db2.gz OZNXPZWXOGUJBN-MWLCHTKSSA-N 0 3 194.278 1.292 20 0 ADADHN C[C@H](O)CCSCCN(C)C 134108346 343934061 /nfs/dbraw/zinc/93/40/61/343934061.db2.gz IGOWHIFNOQMGCN-QMMMGPOBSA-N 0 3 177.313 1.052 20 0 ADADHN C[C@@H](O)CCSCCN(C)C 134108566 343934164 /nfs/dbraw/zinc/93/41/64/343934164.db2.gz IGOWHIFNOQMGCN-MRVPVSSYSA-N 0 3 177.313 1.052 20 0 ADADHN Cc1ccc(CN[C@H]2CCO[C@H]2C)o1 134390993 343942311 /nfs/dbraw/zinc/94/23/11/343942311.db2.gz FOHNWLJAUHVKSO-ONGXEEELSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1ccc(CN[C@@H]2CCO[C@@H]2C)o1 134390930 343942588 /nfs/dbraw/zinc/94/25/88/343942588.db2.gz FOHNWLJAUHVKSO-MWLCHTKSSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1n[nH]cc1[C@H](C)NC1CC1 134540597 343944816 /nfs/dbraw/zinc/94/48/16/343944816.db2.gz XBBVJBCURAQHCW-LURJTMIESA-N 0 3 165.240 1.531 20 0 ADADHN CSCCN[C@@H](C)c1c[nH]nc1C 134544069 343944985 /nfs/dbraw/zinc/94/49/85/343944985.db2.gz USKXRWGJLLEBMB-ZETCQYMHSA-N 0 3 199.323 1.732 20 0 ADADHN CC(C)NCc1ccnc2ccnn12 134618644 343947338 /nfs/dbraw/zinc/94/73/38/343947338.db2.gz SEUNPUGGAXHFBE-UHFFFAOYSA-N 0 3 190.250 1.227 20 0 ADADHN CC(=O)CN1CC[C@@H]2CCCC[C@@H]21 134829456 343949738 /nfs/dbraw/zinc/94/97/38/343949738.db2.gz ITKJOYKCIMXVCA-QWRGUYRKSA-N 0 3 181.279 1.840 20 0 ADADHN COCC(C)(C)NCc1cccnc1 135057252 343953722 /nfs/dbraw/zinc/95/37/22/343953722.db2.gz BBNNMVMAKUZOMQ-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN COCC(C)(C)NCc1ccccn1 135057206 343953823 /nfs/dbraw/zinc/95/38/23/343953823.db2.gz LHIZDSRBHOCPOH-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN COCC(C)(C)NCc1ccco1 135057277 343953928 /nfs/dbraw/zinc/95/39/28/343953928.db2.gz YBWKEROLPDPOLC-UHFFFAOYSA-N 0 3 183.251 1.794 20 0 ADADHN COCC(C)(C)NCc1ccncc1 135057344 343953941 /nfs/dbraw/zinc/95/39/41/343953941.db2.gz TWUFMCVGAULHCR-UHFFFAOYSA-N 0 3 194.278 1.596 20 0 ADADHN COCC(C)(C)NCc1cccn1C 135063744 343954135 /nfs/dbraw/zinc/95/41/35/343954135.db2.gz DWLKVBAASXYGPE-UHFFFAOYSA-N 0 3 196.294 1.540 20 0 ADADHN C[C@H]1CCN(C(=O)C(C)(C)N)C[C@@H]1C 135198838 343957058 /nfs/dbraw/zinc/95/70/58/343957058.db2.gz IWCWEOXZZILXIF-IUCAKERBSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H]1CCN(C(=O)C(C)(C)N)C[C@@H]1C 135198817 343957099 /nfs/dbraw/zinc/95/70/99/343957099.db2.gz IWCWEOXZZILXIF-BDAKNGLRSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H]1CN(C(=O)C(C)(C)N)CC[C@H]1C 135198861 343957249 /nfs/dbraw/zinc/95/72/49/343957249.db2.gz IWCWEOXZZILXIF-RKDXNWHRSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@H](C)[C@H](C)C1 135198064 343957320 /nfs/dbraw/zinc/95/73/20/343957320.db2.gz YNNYZARBVLJNAE-AEJSXWLSSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C)C1 135198105 343957327 /nfs/dbraw/zinc/95/73/27/343957327.db2.gz YNNYZARBVLJNAE-GUBZILKMSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C)C1 135198130 343957335 /nfs/dbraw/zinc/95/73/35/343957335.db2.gz YNNYZARBVLJNAE-UTLUCORTSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C)C1 135198082 343957457 /nfs/dbraw/zinc/95/74/57/343957457.db2.gz YNNYZARBVLJNAE-BBBLOLIVSA-N 0 3 198.310 1.228 20 0 ADADHN Cc1cccc(F)c1NC(=O)[C@@H](C)N 135239619 343957797 /nfs/dbraw/zinc/95/77/97/343957797.db2.gz ULYHLGVPQXPDSM-SSDOTTSWSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1cccc(F)c1NC(=O)[C@H](C)N 135239698 343957852 /nfs/dbraw/zinc/95/78/52/343957852.db2.gz ULYHLGVPQXPDSM-ZETCQYMHSA-N 0 3 196.225 1.420 20 0 ADADHN Cc1ccncc1CN[C@H]1CCOC1 135466990 343963778 /nfs/dbraw/zinc/96/37/78/343963778.db2.gz XRYLXELNMHPBAZ-NSHDSACASA-N 0 3 192.262 1.269 20 0 ADADHN C[C@@H](CC(N)=O)N[C@H](C)c1ccco1 135810908 343967766 /nfs/dbraw/zinc/96/77/66/343967766.db2.gz RDFMRQXKKDVIPW-JGVFFNPUSA-N 0 3 196.250 1.194 20 0 ADADHN C[C@H](N[C@H](C)CC(N)=O)c1ccco1 135810869 343967949 /nfs/dbraw/zinc/96/79/49/343967949.db2.gz RDFMRQXKKDVIPW-SFYZADRCSA-N 0 3 196.250 1.194 20 0 ADADHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccco1 135810833 343968066 /nfs/dbraw/zinc/96/80/66/343968066.db2.gz RDFMRQXKKDVIPW-YUMQZZPRSA-N 0 3 196.250 1.194 20 0 ADADHN C[C@H](CC(N)=O)N[C@H](C)c1ccco1 135810947 343968075 /nfs/dbraw/zinc/96/80/75/343968075.db2.gz RDFMRQXKKDVIPW-HTQZYQBOSA-N 0 3 196.250 1.194 20 0 ADADHN CC[C@@H](C)N1CCO[C@H](C)C1 143455846 344019248 /nfs/dbraw/zinc/01/92/48/344019248.db2.gz OAEAIPJYEGMWAS-RKDXNWHRSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1CCN(C(C)C)CC1 135891701 343970978 /nfs/dbraw/zinc/97/09/78/343970978.db2.gz AFVCUKQSPSQCNU-UHFFFAOYSA-N 0 3 170.300 1.422 20 0 ADADHN CC(C)(C)OC(=O)CCN1CCCC1 135983345 343972749 /nfs/dbraw/zinc/97/27/49/343972749.db2.gz NRQJSCPDTLVUSR-UHFFFAOYSA-N 0 3 199.294 1.814 20 0 ADADHN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](C)N 136133688 343975043 /nfs/dbraw/zinc/97/50/43/343975043.db2.gz AERMILPQYKKJGP-XHNCKOQMSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@H]1CC[C@H](C)N1C(=O)[C@H](C)N 136133719 343975167 /nfs/dbraw/zinc/97/51/67/343975167.db2.gz AERMILPQYKKJGP-CIUDSAMLSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](C)N 136132558 343975298 /nfs/dbraw/zinc/97/52/98/343975298.db2.gz AERMILPQYKKJGP-DJLDLDEBSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C)N 136133750 343975371 /nfs/dbraw/zinc/97/53/71/343975371.db2.gz AERMILPQYKKJGP-HRDYMLBCSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@H]1CC[C@@H](C)N1C(=O)[C@H](C)N 136133789 343975436 /nfs/dbraw/zinc/97/54/36/343975436.db2.gz AERMILPQYKKJGP-VGMNWLOBSA-N 0 3 184.283 1.123 20 0 ADADHN CCN(CCCO)CCC(F)(F)F 136333475 343979465 /nfs/dbraw/zinc/97/94/65/343979465.db2.gz AYLRBGIPYNOEDG-UHFFFAOYSA-N 0 3 199.216 1.643 20 0 ADADHN OCCCN1CCC(F)(F)CC1 137186849 343984170 /nfs/dbraw/zinc/98/41/70/343984170.db2.gz CAORATFEVJAUNZ-UHFFFAOYSA-N 0 3 179.210 1.100 20 0 ADADHN Cc1ccc(CN2CCCC2)cn1 138095073 343988100 /nfs/dbraw/zinc/98/81/00/343988100.db2.gz SGDYCKIHBXCPAK-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CCCCN1CCN(CC2CC2)CC1 138692662 343989894 /nfs/dbraw/zinc/98/98/94/343989894.db2.gz PUANEICOHVJVIS-UHFFFAOYSA-N 0 3 196.338 1.814 20 0 ADADHN C[C@@H]1CCN(Cc2ccccn2)C1 139368967 343994191 /nfs/dbraw/zinc/99/41/91/343994191.db2.gz PRQDQSHFTNLVNL-SNVBAGLBSA-N 0 3 176.263 1.923 20 0 ADADHN C[C@H]1CCN(Cc2ccccn2)C1 139369083 343994288 /nfs/dbraw/zinc/99/42/88/343994288.db2.gz PRQDQSHFTNLVNL-JTQLQIEISA-N 0 3 176.263 1.923 20 0 ADADHN O=[N+]([O-])c1ccc2c(c1)OCCNC2 140071140 343997988 /nfs/dbraw/zinc/99/79/88/343997988.db2.gz BZBLNIGJHJCHEF-UHFFFAOYSA-N 0 3 194.190 1.077 20 0 in-vitro ADADHN CC(C)CN1CCN(C(C)C)CC1 140820907 344002102 /nfs/dbraw/zinc/00/21/02/344002102.db2.gz IBWUEKHYPOXCRX-UHFFFAOYSA-N 0 3 184.327 1.668 20 0 ADADHN CC(C)CCN1C[C@@H]2CC[C@H](C1)O2 141216123 344004742 /nfs/dbraw/zinc/00/47/42/344004742.db2.gz GYCIHWGPTPXOGQ-PHIMTYICSA-N 0 3 183.295 1.896 20 0 ADADHN CC(C)N1CCN(CC2CC2)CC1 141560640 344006926 /nfs/dbraw/zinc/00/69/26/344006926.db2.gz CFQAXRXQRQXLGT-UHFFFAOYSA-N 0 3 182.311 1.422 20 0 ADADHN CC(C)N1C[C@@H](C)OC(C)(C)C1 141737380 344007766 /nfs/dbraw/zinc/00/77/66/344007766.db2.gz GTPXRVKBDKCCEV-SECBINFHSA-N 0 3 171.284 1.894 20 0 ADADHN CC[C@H]1COCCN1CC1CC1 141708122 344007778 /nfs/dbraw/zinc/00/77/78/344007778.db2.gz BRXCXAOECZOSDM-JTQLQIEISA-N 0 3 169.268 1.507 20 0 ADADHN CC[C@@H]1COCCN1CC1CC1 141707922 344007916 /nfs/dbraw/zinc/00/79/16/344007916.db2.gz BRXCXAOECZOSDM-SNVBAGLBSA-N 0 3 169.268 1.507 20 0 ADADHN CC(C)N1C[C@H](C)OC(C)(C)C1 141737567 344007997 /nfs/dbraw/zinc/00/79/97/344007997.db2.gz GTPXRVKBDKCCEV-VIFPVBQESA-N 0 3 171.284 1.894 20 0 ADADHN CC(C)c1ccc(CN)nc1 142223701 344010747 /nfs/dbraw/zinc/01/07/47/344010747.db2.gz RYHAVPRXWYVIJP-UHFFFAOYSA-N 0 3 150.225 1.664 20 0 ADADHN c1ncc(CN2CCCC2)s1 142277875 344011641 /nfs/dbraw/zinc/01/16/41/344011641.db2.gz LOYXFMDCXPORJE-UHFFFAOYSA-N 0 3 168.265 1.739 20 0 ADADHN CC[C@H](C)CN1CCOCC1 142653652 344013963 /nfs/dbraw/zinc/01/39/63/344013963.db2.gz ZWVGWAOXRABPPK-VIFPVBQESA-N 0 3 157.257 1.365 20 0 ADADHN Cc1cncc(CN2CCCC2)c1 143319983 344018370 /nfs/dbraw/zinc/01/83/70/344018370.db2.gz ITTGKISHUFTINU-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CCCN1CCN(C2CCCC2)CC1 143302457 344018533 /nfs/dbraw/zinc/01/85/33/344018533.db2.gz LIESHPMJEOGGAU-UHFFFAOYSA-N 0 3 196.338 1.957 20 0 ADADHN CC[C@H](C)N1CCO[C@H](C)C1 143456051 344019552 /nfs/dbraw/zinc/01/95/52/344019552.db2.gz OAEAIPJYEGMWAS-DTWKUNHWSA-N 0 3 157.257 1.506 20 0 ADADHN CC(C)N1CCOC2(CCOCC2)C1 143646308 344020913 /nfs/dbraw/zinc/02/09/13/344020913.db2.gz AKDFSZNYMBROLE-UHFFFAOYSA-N 0 3 199.294 1.276 20 0 ADADHN CC[C@@H]1CN(C(C)C)CCO1 143685561 344021355 /nfs/dbraw/zinc/02/13/55/344021355.db2.gz GSXWLLVVULLWRN-SECBINFHSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@H]1CN(C(C)C)CCO1 143685743 344021442 /nfs/dbraw/zinc/02/14/42/344021442.db2.gz GSXWLLVVULLWRN-VIFPVBQESA-N 0 3 157.257 1.506 20 0 ADADHN COCCCN1C[C@H](C)O[C@H](C)C1 143810890 344022010 /nfs/dbraw/zinc/02/20/10/344022010.db2.gz UQUMMGVLRUTTDJ-AOOOYVTPSA-N 0 3 187.283 1.132 20 0 ADADHN CN1CCN(CC2CCC2)CC1 143933936 344023401 /nfs/dbraw/zinc/02/34/01/344023401.db2.gz WKYBNQODVOVHKQ-UHFFFAOYSA-N 0 3 168.284 1.034 20 0 ADADHN COCCN1CC=C(C)CC1 143970473 344023431 /nfs/dbraw/zinc/02/34/31/344023431.db2.gz MXEJZCXTAKZUTN-UHFFFAOYSA-N 0 3 155.241 1.285 20 0 ADADHN C[C@@H]1CCN(Cc2cncs2)C1 144117143 344024598 /nfs/dbraw/zinc/02/45/98/344024598.db2.gz YAHDEVWTMJNAKS-MRVPVSSYSA-N 0 3 182.292 1.985 20 0 ADADHN C[C@H]1CCN(Cc2cncs2)C1 144117364 344024615 /nfs/dbraw/zinc/02/46/15/344024615.db2.gz YAHDEVWTMJNAKS-QMMMGPOBSA-N 0 3 182.292 1.985 20 0 ADADHN CCN1CCO[C@@H](C(C)C)C1 144315606 344026292 /nfs/dbraw/zinc/02/62/92/344026292.db2.gz SDMYLZMDASTDJO-SECBINFHSA-N 0 3 157.257 1.363 20 0 ADADHN Cc1cc(CN2CCCCC2)n[nH]1 144376752 344026526 /nfs/dbraw/zinc/02/65/26/344026526.db2.gz NXKBPQGWZGTMQJ-UHFFFAOYSA-N 0 3 179.267 1.704 20 0 ADADHN CCO[C@H]1CCCN(CCOC)C1 144485067 344027047 /nfs/dbraw/zinc/02/70/47/344027047.db2.gz KSPUJVFGRGWZQT-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CC(=O)[C@@H]1CCCCCN1 144467943 344027090 /nfs/dbraw/zinc/02/70/90/344027090.db2.gz BEJGZWLUWPZVBM-QMMMGPOBSA-N 0 3 141.214 1.108 20 0 ADADHN CC(=O)[C@H]1CCCCCN1 144468152 344027130 /nfs/dbraw/zinc/02/71/30/344027130.db2.gz BEJGZWLUWPZVBM-MRVPVSSYSA-N 0 3 141.214 1.108 20 0 ADADHN CCO[C@@H]1CCCN(CCOC)C1 144484866 344027267 /nfs/dbraw/zinc/02/72/67/344027267.db2.gz KSPUJVFGRGWZQT-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 144730144 344029046 /nfs/dbraw/zinc/02/90/46/344029046.db2.gz KXRBWQDMKSYTKV-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)N(C)Cc1cccnc1 144777461 344029438 /nfs/dbraw/zinc/02/94/38/344029438.db2.gz AEVUWSQWTDCDON-UHFFFAOYSA-N 0 3 164.252 1.922 20 0 ADADHN CC(C)(C)c1ccc(CN)nc1 144872896 344029925 /nfs/dbraw/zinc/02/99/25/344029925.db2.gz YUBPSHPJTXQZQS-UHFFFAOYSA-N 0 3 164.252 1.838 20 0 ADADHN C[C@H]1CN(Cc2c[nH]cn2)C[C@@H]1C 144891271 344030450 /nfs/dbraw/zinc/03/04/50/344030450.db2.gz KQZAQDORNNOOOM-IUCAKERBSA-N 0 3 179.267 1.498 20 0 ADADHN CN(Cc1cccnc1)C1CC1 145308136 344032352 /nfs/dbraw/zinc/03/23/52/344032352.db2.gz PMBACFYOKXBIFI-UHFFFAOYSA-N 0 3 162.236 1.676 20 0 ADADHN CCSCCN(CC)CCOC 145384850 344032915 /nfs/dbraw/zinc/03/29/15/344032915.db2.gz YVRIFZYDKRBTSB-UHFFFAOYSA-N 0 3 191.340 1.708 20 0 ADADHN C[C@@H](NC1CC1)c1cn[nH]c1 145954243 344037157 /nfs/dbraw/zinc/03/71/57/344037157.db2.gz OOAILRISSCDLGN-ZCFIWIBFSA-N 0 3 151.213 1.223 20 0 ADADHN C[C@H](NC1CC1)c1cn[nH]c1 145954431 344037367 /nfs/dbraw/zinc/03/73/67/344037367.db2.gz OOAILRISSCDLGN-LURJTMIESA-N 0 3 151.213 1.223 20 0 ADADHN CCN1CCO[C@H](C)[C@@H]1C 145999999 344037805 /nfs/dbraw/zinc/03/78/05/344037805.db2.gz WHNYLIFNUVHCOQ-JGVFFNPUSA-N 0 3 143.230 1.116 20 0 ADADHN CCN1CCO[C@@H](C)[C@@H]1C 146000208 344037972 /nfs/dbraw/zinc/03/79/72/344037972.db2.gz WHNYLIFNUVHCOQ-YUMQZZPRSA-N 0 3 143.230 1.116 20 0 ADADHN C[C@H]1CN(C2CCCC2)CCO1 146201645 344039415 /nfs/dbraw/zinc/03/94/15/344039415.db2.gz GVXHOTAUOGZUBT-VIFPVBQESA-N 0 3 169.268 1.650 20 0 ADADHN CCCN1[C@H](C)COC[C@H]1C 146525531 344041302 /nfs/dbraw/zinc/04/13/02/344041302.db2.gz BVYXZTRYBZAZCX-RKDXNWHRSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1[C@@H](C)COC[C@@H]1C 146525365 344041626 /nfs/dbraw/zinc/04/16/26/344041626.db2.gz BVYXZTRYBZAZCX-IUCAKERBSA-N 0 3 157.257 1.506 20 0 ADADHN CC(=O)NCCN1CCCC(C)(C)C1 146743960 344042041 /nfs/dbraw/zinc/04/20/41/344042041.db2.gz DRHMPIYBYRFIDX-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@@H](C)C(=O)NC1CCN(C)CC1 146962950 344042742 /nfs/dbraw/zinc/04/27/42/344042742.db2.gz QDYYHZQYVCPYTL-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N1CC[C@](C)(F)C1 147548088 344044252 /nfs/dbraw/zinc/04/42/52/344044252.db2.gz HKDHWSUNYDDBJY-QMMMGPOBSA-N 0 3 145.221 1.829 20 0 ADADHN CC(C)N1CC[C@@](C)(F)C1 147547875 344044487 /nfs/dbraw/zinc/04/44/87/344044487.db2.gz HKDHWSUNYDDBJY-MRVPVSSYSA-N 0 3 145.221 1.829 20 0 ADADHN C1CN(CCC2CC2)CCO1 147769222 344044658 /nfs/dbraw/zinc/04/46/58/344044658.db2.gz PHXCANCCUZOKGW-UHFFFAOYSA-N 0 3 155.241 1.119 20 0 ADADHN NCc1cc(Cl)ncc1[N+](=O)[O-] 147744383 344045035 /nfs/dbraw/zinc/04/50/35/344045035.db2.gz YRKXSYYUGJWFSD-UHFFFAOYSA-N 0 3 187.586 1.102 20 0 ADADHN CC(C)N1CCc2n[nH]cc2C1 147991818 344045963 /nfs/dbraw/zinc/04/59/63/344045963.db2.gz CJPFZXJGVINMBF-UHFFFAOYSA-N 0 3 165.240 1.176 20 0 ADADHN CCN(C)Cc1cccc(O)c1 147936316 344046109 /nfs/dbraw/zinc/04/61/09/344046109.db2.gz BQFBCOSMIIRUCE-UHFFFAOYSA-N 0 3 165.236 1.844 20 0 ADADHN CCCN1CCOC[C@H]1CC 148058198 344046989 /nfs/dbraw/zinc/04/69/89/344046989.db2.gz BVNXWZGJUUXEAH-SECBINFHSA-N 0 3 157.257 1.507 20 0 ADADHN CCCN1CCO[C@H](CC)C1 148059888 344047029 /nfs/dbraw/zinc/04/70/29/344047029.db2.gz PFNDNMWBYOTKTJ-SECBINFHSA-N 0 3 157.257 1.507 20 0 ADADHN CCCN1CCOC[C@@H]1CC 148057979 344047527 /nfs/dbraw/zinc/04/75/27/344047527.db2.gz BVNXWZGJUUXEAH-VIFPVBQESA-N 0 3 157.257 1.507 20 0 ADADHN CCCN1CCO[C@@H](CC)C1 148059710 344047616 /nfs/dbraw/zinc/04/76/16/344047616.db2.gz PFNDNMWBYOTKTJ-VIFPVBQESA-N 0 3 157.257 1.507 20 0 ADADHN CC[C@H](C)C(=O)N1CCNC(C)(C)C1 148086031 344047645 /nfs/dbraw/zinc/04/76/45/344047645.db2.gz VGZDCFUSROJRSD-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCN1CCOCC1(C)C 148092919 344048171 /nfs/dbraw/zinc/04/81/71/344048171.db2.gz FUVGUEYKCRDEKJ-UHFFFAOYSA-N 0 3 143.230 1.117 20 0 ADADHN CN1C(=N)Cc2ccccc21 148166803 344049523 /nfs/dbraw/zinc/04/95/23/344049523.db2.gz INYNVZLXYSLCCC-UHFFFAOYSA-N 0 3 146.193 1.656 20 0 ADADHN CCCN1CCOC[C@H]1C 148182596 344049913 /nfs/dbraw/zinc/04/99/13/344049913.db2.gz CJKOXWAXWWWNKB-MRVPVSSYSA-N 0 3 143.230 1.117 20 0 ADADHN CC[C@@H]1CN(CC)CCO1 148181302 344049929 /nfs/dbraw/zinc/04/99/29/344049929.db2.gz FCJSAKSPNSXIHW-MRVPVSSYSA-N 0 3 143.230 1.117 20 0 ADADHN CCCN1CCO[C@H](C)C1 148184653 344049993 /nfs/dbraw/zinc/04/99/93/344049993.db2.gz QYGRKKRUAASZRW-MRVPVSSYSA-N 0 3 143.230 1.117 20 0 ADADHN CCCN1CCOC[C@@H]1C 148182406 344050043 /nfs/dbraw/zinc/05/00/43/344050043.db2.gz CJKOXWAXWWWNKB-QMMMGPOBSA-N 0 3 143.230 1.117 20 0 ADADHN CC[C@H]1CN(CC)CCO1 148181534 344050085 /nfs/dbraw/zinc/05/00/85/344050085.db2.gz FCJSAKSPNSXIHW-QMMMGPOBSA-N 0 3 143.230 1.117 20 0 ADADHN CCCN1CCO[C@@H](C)C1 148184486 344050270 /nfs/dbraw/zinc/05/02/70/344050270.db2.gz QYGRKKRUAASZRW-QMMMGPOBSA-N 0 3 143.230 1.117 20 0 ADADHN COCCN(C)CCc1ccccn1 148547471 344055734 /nfs/dbraw/zinc/05/57/34/344055734.db2.gz GNSRKBOWSQDPMW-UHFFFAOYSA-N 0 3 194.278 1.202 20 0 ADADHN Cc1nn(C2CCN(C)CC2)cc1N 148664994 344057187 /nfs/dbraw/zinc/05/71/87/344057187.db2.gz XIEFKWWOPVXTIQ-UHFFFAOYSA-N 0 3 194.282 1.040 20 0 ADADHN CC(C)N1CCc2c[nH]nc2C1 148823451 344059606 /nfs/dbraw/zinc/05/96/06/344059606.db2.gz MAJHFUZENYHZBB-UHFFFAOYSA-N 0 3 165.240 1.176 20 0 ADADHN CC(C)C(=O)N1CCN(C)CC[C@@H]1C 149026552 344060955 /nfs/dbraw/zinc/06/09/55/344060955.db2.gz IYWHJKBSJVJXNU-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)C(=O)N1CCN(C)CC[C@H]1C 149026770 344061005 /nfs/dbraw/zinc/06/10/05/344061005.db2.gz IYWHJKBSJVJXNU-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CCN1CCC(c2nc(C)no2)CC1 148961867 344061128 /nfs/dbraw/zinc/06/11/28/344061128.db2.gz IBDICLCVJFFSGN-UHFFFAOYSA-N 0 3 195.266 1.577 20 0 ADADHN CC(=O)CNC1CCCC1 149122059 344062458 /nfs/dbraw/zinc/06/24/58/344062458.db2.gz PDOHINBZIQTKDT-UHFFFAOYSA-N 0 3 141.214 1.108 20 0 ADADHN CCN1CCOC(C)(C)C1 149411236 344065270 /nfs/dbraw/zinc/06/52/70/344065270.db2.gz SPQHYPMUSSTHKZ-UHFFFAOYSA-N 0 3 143.230 1.117 20 0 ADADHN OCCN[C@H]1CCc2c(F)cccc21 149394912 344065321 /nfs/dbraw/zinc/06/53/21/344065321.db2.gz IIUMAVDOTOIFQV-NSHDSACASA-N 0 3 195.237 1.395 20 0 ADADHN OCCN[C@@H]1CCc2c(F)cccc21 149395131 344065480 /nfs/dbraw/zinc/06/54/80/344065480.db2.gz IIUMAVDOTOIFQV-LLVKDONJSA-N 0 3 195.237 1.395 20 0 ADADHN CN1CCC(c2ncccn2)CC1 149478306 344066722 /nfs/dbraw/zinc/06/67/22/344066722.db2.gz CCUXGZAPXULFNF-UHFFFAOYSA-N 0 3 177.251 1.286 20 0 ADADHN CC1(C)CCC[C@@H](NC(=O)CN)C1 149657673 344069135 /nfs/dbraw/zinc/06/91/35/344069135.db2.gz YYHWHXXHGZBCOX-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CC1(C)CCC[C@H](NC(=O)CN)C1 149657493 344069161 /nfs/dbraw/zinc/06/91/61/344069161.db2.gz YYHWHXXHGZBCOX-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN CNCC(=O)N[C@H]1CCCC(C)(C)C1 149680682 344069447 /nfs/dbraw/zinc/06/94/47/344069447.db2.gz IRYJYPSPWUBAKX-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCCC(C)(C)C1 149684087 344069455 /nfs/dbraw/zinc/06/94/55/344069455.db2.gz GGUOUGVJBGJNOV-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCCC(C)(C)C1 149684277 344069676 /nfs/dbraw/zinc/06/96/76/344069676.db2.gz GGUOUGVJBGJNOV-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CNCC(=O)N[C@@H]1CCCC(C)(C)C1 149680879 344069689 /nfs/dbraw/zinc/06/96/89/344069689.db2.gz IRYJYPSPWUBAKX-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1CCCC(C)(C)C1 149697936 344070146 /nfs/dbraw/zinc/07/01/46/344070146.db2.gz GGUOUGVJBGJNOV-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](N)C(=O)N[C@H]1CCCC(C)(C)C1 149698138 344070300 /nfs/dbraw/zinc/07/03/00/344070300.db2.gz GGUOUGVJBGJNOV-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN c1nc(CN2CCCC2)c[nH]1 149827154 344072199 /nfs/dbraw/zinc/07/21/99/344072199.db2.gz MAZDQKOAJZUAQU-UHFFFAOYSA-N 0 3 151.213 1.006 20 0 ADADHN c1ncc(CN2CCCC2)[nH]1 149827154 344072202 /nfs/dbraw/zinc/07/22/02/344072202.db2.gz MAZDQKOAJZUAQU-UHFFFAOYSA-N 0 3 151.213 1.006 20 0 ADADHN C[C@H]1OCC[C@H]1NCc1ccoc1 149857392 344072583 /nfs/dbraw/zinc/07/25/83/344072583.db2.gz DYQCIIAJMKIKLW-PSASIEDQSA-N 0 3 181.235 1.547 20 0 ADADHN C[C@@H]1OCC[C@H]1NCc1ccoc1 149857599 344072620 /nfs/dbraw/zinc/07/26/20/344072620.db2.gz DYQCIIAJMKIKLW-WCBMZHEXSA-N 0 3 181.235 1.547 20 0 ADADHN C[C@H]1OCC[C@@H]1NCc1ccoc1 149857770 344072696 /nfs/dbraw/zinc/07/26/96/344072696.db2.gz DYQCIIAJMKIKLW-SCZZXKLOSA-N 0 3 181.235 1.547 20 0 ADADHN CCCN1CCc2c[nH]nc2C1 149894026 344072714 /nfs/dbraw/zinc/07/27/14/344072714.db2.gz JUEBWGFUZPCORA-UHFFFAOYSA-N 0 3 165.240 1.178 20 0 ADADHN C[C@@H]1OCC[C@@H]1NCc1ccoc1 149857981 344072881 /nfs/dbraw/zinc/07/28/81/344072881.db2.gz DYQCIIAJMKIKLW-WPRPVWTQSA-N 0 3 181.235 1.547 20 0 ADADHN CC(C)(N)c1cn(C(C)(C)C)nn1 149999323 344074836 /nfs/dbraw/zinc/07/48/36/344074836.db2.gz AZIWIELQESYJKA-UHFFFAOYSA-N 0 3 182.271 1.227 20 0 ADADHN CCCN1CCN(CC2CC2)CC1 150000993 344074935 /nfs/dbraw/zinc/07/49/35/344074935.db2.gz QWPKKOPCSJUIDI-UHFFFAOYSA-N 0 3 182.311 1.424 20 0 ADADHN Cc1cc(N)c(C=O)c(C)n1 150076985 344076288 /nfs/dbraw/zinc/07/62/88/344076288.db2.gz LAHLXMPHUJGPBN-UHFFFAOYSA-N 0 3 150.181 1.093 20 0 ADADHN CCNCc1cccc(F)c1N 156350259 344083405 /nfs/dbraw/zinc/08/34/05/344083405.db2.gz KQAQHINOFXPDQW-UHFFFAOYSA-N 0 3 168.215 1.517 20 0 ADADHN COCCNCc1cccc(F)c1N 156376512 344084491 /nfs/dbraw/zinc/08/44/91/344084491.db2.gz GMTIWIZMQWVJPV-UHFFFAOYSA-N 0 3 198.241 1.144 20 0 ADADHN Cc1ccc(F)c(CNCCO)c1 157209543 344101582 /nfs/dbraw/zinc/10/15/82/344101582.db2.gz CPKVJZDIUDOVIX-UHFFFAOYSA-N 0 3 183.226 1.216 20 0 ADADHN Cc1ccc(F)c(CNCCCO)c1 157209071 344101634 /nfs/dbraw/zinc/10/16/34/344101634.db2.gz KOPSFOCAKJGLIL-UHFFFAOYSA-N 0 3 197.253 1.606 20 0 ADADHN C[C@H](NC1CC=CC1)c1cnn(C)c1 157339607 344103545 /nfs/dbraw/zinc/10/35/45/344103545.db2.gz GBSRYZDXNHXQDS-VIFPVBQESA-N 0 3 191.278 1.789 20 0 ADADHN Cc1ccoc1CNCCCO 157329340 344103643 /nfs/dbraw/zinc/10/36/43/344103643.db2.gz JUJOGRFZZQMNON-UHFFFAOYSA-N 0 3 169.224 1.060 20 0 ADADHN C[C@@H](NC1CC=CC1)c1cnn(C)c1 157339738 344103690 /nfs/dbraw/zinc/10/36/90/344103690.db2.gz GBSRYZDXNHXQDS-SECBINFHSA-N 0 3 191.278 1.789 20 0 ADADHN Cc1ccc(F)c(CN[C@H](C)CO)c1 157344894 344104581 /nfs/dbraw/zinc/10/45/81/344104581.db2.gz XLEAHWGZUUJHMR-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(F)c(CN[C@@H](C)CO)c1 157344760 344104593 /nfs/dbraw/zinc/10/45/93/344104593.db2.gz XLEAHWGZUUJHMR-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccoc1CN[C@@H](C)CO 157343766 344104596 /nfs/dbraw/zinc/10/45/96/344104596.db2.gz YLZSNGHUGRSEFW-QMMMGPOBSA-N 0 3 169.224 1.058 20 0 ADADHN CC1(NCc2cncs2)CC1 157471368 344107456 /nfs/dbraw/zinc/10/74/56/344107456.db2.gz OFSBCXLOPRTRCS-UHFFFAOYSA-N 0 3 168.265 1.785 20 0 ADADHN CCN(CCO)CCOC(C)(C)C 157548115 344109021 /nfs/dbraw/zinc/10/90/21/344109021.db2.gz YVWNDKRHJUQPCW-UHFFFAOYSA-N 0 3 189.299 1.116 20 0 ADADHN C[C@@H](O)CN(C)CCOC(C)(C)C 157606871 344110456 /nfs/dbraw/zinc/11/04/56/344110456.db2.gz WEWUGXZEYGRVRQ-SECBINFHSA-N 0 3 189.299 1.114 20 0 ADADHN C[C@H](O)CN(C)CCOC(C)(C)C 157606740 344110879 /nfs/dbraw/zinc/11/08/79/344110879.db2.gz WEWUGXZEYGRVRQ-VIFPVBQESA-N 0 3 189.299 1.114 20 0 ADADHN CC1CC(NC(=O)[C@@H]2CCCCN2)C1 157662248 344111156 /nfs/dbraw/zinc/11/11/56/344111156.db2.gz HDPAGCICSBXBCZ-RTBKNWGFSA-N 0 3 196.294 1.043 20 0 ADADHN CC1CC(NC(=O)[C@@H](N)C(C)(C)C)C1 158255689 344122733 /nfs/dbraw/zinc/12/27/33/344122733.db2.gz DAIZVOVDJLQGEJ-AMDVSUOASA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 158323196 344124030 /nfs/dbraw/zinc/12/40/30/344124030.db2.gz KPVKYDMIEYFHCP-VHSXEESVSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 158323486 344124197 /nfs/dbraw/zinc/12/41/97/344124197.db2.gz KPVKYDMIEYFHCP-UWVGGRQHSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H](CO)N(C)Cc1ccccc1 158329447 344124428 /nfs/dbraw/zinc/12/44/28/344124428.db2.gz RXXVCPJUINTBRS-SNVBAGLBSA-N 0 3 179.263 1.499 20 0 ADADHN CC[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 158323055 344124438 /nfs/dbraw/zinc/12/44/38/344124438.db2.gz KPVKYDMIEYFHCP-NXEZZACHSA-N 0 3 198.310 1.228 20 0 ADADHN CCn1nc(C)cc1[C@@H](C)N 158861253 344134198 /nfs/dbraw/zinc/13/41/98/344134198.db2.gz SDOPFNRIFUOVRV-SSDOTTSWSA-N 0 3 153.229 1.231 20 0 ADADHN CCn1nc(C)cc1[C@H](C)N 158861403 344134431 /nfs/dbraw/zinc/13/44/31/344134431.db2.gz SDOPFNRIFUOVRV-ZETCQYMHSA-N 0 3 153.229 1.231 20 0 ADADHN CC(C)NCc1ccc(F)cn1 159255257 344141126 /nfs/dbraw/zinc/14/11/26/344141126.db2.gz UKCZCFHTMOGYFQ-UHFFFAOYSA-N 0 3 168.215 1.719 20 0 ADADHN CS[C@H](C)CNCc1ccccn1 159298861 344141681 /nfs/dbraw/zinc/14/16/81/344141681.db2.gz FABQRJPPTIJYNT-SECBINFHSA-N 0 3 196.319 1.923 20 0 ADADHN CC1(NCc2ccco2)CCOCC1 159323762 344142212 /nfs/dbraw/zinc/14/22/12/344142212.db2.gz PCVZMJRTTIBLOL-UHFFFAOYSA-N 0 3 195.262 1.938 20 0 ADADHN CS[C@H](C)CNCc1ccncc1 159318586 344142221 /nfs/dbraw/zinc/14/22/21/344142221.db2.gz NPDDSHDMADUWFD-SECBINFHSA-N 0 3 196.319 1.923 20 0 ADADHN CC1(NCc2c[nH]cn2)CCOCC1 159320681 344142262 /nfs/dbraw/zinc/14/22/62/344142262.db2.gz OAAMGYFOYVHVBQ-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN CS[C@H](C)CNCc1cccnc1 159316353 344142270 /nfs/dbraw/zinc/14/22/70/344142270.db2.gz OGFGTYXESSEOPJ-SECBINFHSA-N 0 3 196.319 1.923 20 0 ADADHN CS[C@@H](C)CNCc1c[nH]nc1C 159315467 344142287 /nfs/dbraw/zinc/14/22/87/344142287.db2.gz UFUJRVCEQWOJLK-ZETCQYMHSA-N 0 3 199.323 1.559 20 0 ADADHN CS[C@@H](C)CNCc1cnn(C)c1 159319409 344142308 /nfs/dbraw/zinc/14/23/08/344142308.db2.gz HQTHAFBITNJEPZ-QMMMGPOBSA-N 0 3 199.323 1.261 20 0 ADADHN CS[C@H](C)CNCc1ccnn1C 159309769 344142333 /nfs/dbraw/zinc/14/23/33/344142333.db2.gz WEHCEWLAWXYCOW-MRVPVSSYSA-N 0 3 199.323 1.261 20 0 ADADHN CS[C@H](C)CNCc1cnn(C)c1 159319499 344142356 /nfs/dbraw/zinc/14/23/56/344142356.db2.gz HQTHAFBITNJEPZ-MRVPVSSYSA-N 0 3 199.323 1.261 20 0 ADADHN CS[C@@H](C)CNCc1ccnn1C 159309644 344142446 /nfs/dbraw/zinc/14/24/46/344142446.db2.gz WEHCEWLAWXYCOW-QMMMGPOBSA-N 0 3 199.323 1.261 20 0 ADADHN CS[C@@H](C)CNCc1ccncc1 159318452 344142458 /nfs/dbraw/zinc/14/24/58/344142458.db2.gz NPDDSHDMADUWFD-VIFPVBQESA-N 0 3 196.319 1.923 20 0 ADADHN CS[C@H](C)CNCc1c[nH]nc1C 159315338 344142515 /nfs/dbraw/zinc/14/25/15/344142515.db2.gz UFUJRVCEQWOJLK-SSDOTTSWSA-N 0 3 199.323 1.559 20 0 ADADHN CS[C@@H](C)CNCc1cncn1C 159308810 344142558 /nfs/dbraw/zinc/14/25/58/344142558.db2.gz WFKVQIZBPWHXSV-QMMMGPOBSA-N 0 3 199.323 1.261 20 0 ADADHN CS[C@@H](C)CNCc1cccnc1 159316214 344142604 /nfs/dbraw/zinc/14/26/04/344142604.db2.gz OGFGTYXESSEOPJ-VIFPVBQESA-N 0 3 196.319 1.923 20 0 ADADHN CS[C@H](C)CNCc1cncn1C 159308912 344142608 /nfs/dbraw/zinc/14/26/08/344142608.db2.gz WFKVQIZBPWHXSV-MRVPVSSYSA-N 0 3 199.323 1.261 20 0 ADADHN Cc1ncoc1CNC(C)C 159420392 344144630 /nfs/dbraw/zinc/14/46/30/344144630.db2.gz DYBHIEXVBJFNEI-UHFFFAOYSA-N 0 3 154.213 1.481 20 0 ADADHN Cc1ncoc1CNC(C)(C)C 159420848 344144642 /nfs/dbraw/zinc/14/46/42/344144642.db2.gz TUZONISOCAWZBL-UHFFFAOYSA-N 0 3 168.240 1.871 20 0 ADADHN C[C@@H](O)[C@H]1CCN(Cc2ccco2)C1 159465095 344145636 /nfs/dbraw/zinc/14/56/36/344145636.db2.gz LOXYQCHLBVDOHV-ZJUUUORDSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@H](O)[C@H]1CCN(Cc2ccco2)C1 159464971 344145695 /nfs/dbraw/zinc/14/56/95/344145695.db2.gz LOXYQCHLBVDOHV-UWVGGRQHSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@H](O)[C@@H]1CCN(Cc2ccco2)C1 159464711 344145862 /nfs/dbraw/zinc/14/58/62/344145862.db2.gz LOXYQCHLBVDOHV-VHSXEESVSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@@H](O)[C@@H]1CCN(Cc2ccco2)C1 159464829 344145904 /nfs/dbraw/zinc/14/59/04/344145904.db2.gz LOXYQCHLBVDOHV-NXEZZACHSA-N 0 3 195.262 1.482 20 0 ADADHN Cn1ccc(CNC2(C)CCC2)n1 160001084 344156544 /nfs/dbraw/zinc/15/65/44/344156544.db2.gz VTQPQDSPMHCJHJ-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CC[C@@H](C)n1cc([C@H](C)N)nn1 160060723 344157596 /nfs/dbraw/zinc/15/75/96/344157596.db2.gz FNUPPXOLNCIPRS-RQJHMYQMSA-N 0 3 168.244 1.269 20 0 ADADHN CC[C@@H](C)n1cc([C@@H](C)N)nn1 160060430 344157638 /nfs/dbraw/zinc/15/76/38/344157638.db2.gz FNUPPXOLNCIPRS-RNFRBKRXSA-N 0 3 168.244 1.269 20 0 ADADHN CC[C@H](C)n1cc([C@@H](C)N)nn1 160060602 344157647 /nfs/dbraw/zinc/15/76/47/344157647.db2.gz FNUPPXOLNCIPRS-NKWVEPMBSA-N 0 3 168.244 1.269 20 0 ADADHN CC[C@H](C)n1cc([C@H](C)N)nn1 160060844 344157670 /nfs/dbraw/zinc/15/76/70/344157670.db2.gz FNUPPXOLNCIPRS-BQBZGAKWSA-N 0 3 168.244 1.269 20 0 ADADHN C[C@@H](NCc1cn(C)nn1)C1CCC1 160176253 344159063 /nfs/dbraw/zinc/15/90/63/344159063.db2.gz HWMSRVWSJYBOMR-MRVPVSSYSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@]1(NCc2cccnc2)CCOC1 160192938 344159346 /nfs/dbraw/zinc/15/93/46/344159346.db2.gz SMEGESIMOLEPTQ-NSHDSACASA-N 0 3 192.262 1.350 20 0 ADADHN C[C@@]1(NCc2ccncc2)CCOC1 160196771 344159413 /nfs/dbraw/zinc/15/94/13/344159413.db2.gz PVMUJEPSMFWFFR-LLVKDONJSA-N 0 3 192.262 1.350 20 0 ADADHN C[C@@]1(NCc2cccnc2)CCOC1 160193068 344159428 /nfs/dbraw/zinc/15/94/28/344159428.db2.gz SMEGESIMOLEPTQ-LLVKDONJSA-N 0 3 192.262 1.350 20 0 ADADHN C[C@@]1(NCc2ccccc2)CCOC1 160191434 344159476 /nfs/dbraw/zinc/15/94/76/344159476.db2.gz NJGXNHKCUGEYPB-GFCCVEGCSA-N 0 3 191.274 1.955 20 0 ADADHN Cn1cccc1CN[C@@]1(C)CCOC1 160195742 344159506 /nfs/dbraw/zinc/15/95/06/344159506.db2.gz IGGUXTXJGMVZBZ-NSHDSACASA-N 0 3 194.278 1.294 20 0 ADADHN C[C@]1(NCc2ccccc2)CCOC1 160191298 344159536 /nfs/dbraw/zinc/15/95/36/344159536.db2.gz NJGXNHKCUGEYPB-LBPRGKRZSA-N 0 3 191.274 1.955 20 0 ADADHN Cc1ccc(CN[C@@]2(C)CCOC2)o1 160193614 344159614 /nfs/dbraw/zinc/15/96/14/344159614.db2.gz DRPHOVWTORFCBS-NSHDSACASA-N 0 3 195.262 1.857 20 0 ADADHN Cc1ccoc1CN[C@@]1(C)CCOC1 160191187 344159567 /nfs/dbraw/zinc/15/95/67/344159567.db2.gz IPDGMDCFDWEPLA-NSHDSACASA-N 0 3 195.262 1.857 20 0 ADADHN Cc1ccoc1CN[C@]1(C)CCOC1 160191058 344159594 /nfs/dbraw/zinc/15/95/94/344159594.db2.gz IPDGMDCFDWEPLA-LLVKDONJSA-N 0 3 195.262 1.857 20 0 ADADHN Cn1cccc1CN[C@]1(C)CCOC1 160195878 344159626 /nfs/dbraw/zinc/15/96/26/344159626.db2.gz IGGUXTXJGMVZBZ-LLVKDONJSA-N 0 3 194.278 1.294 20 0 ADADHN C[C@@]1(NCc2ccccn2)CCOC1 160198224 344159648 /nfs/dbraw/zinc/15/96/48/344159648.db2.gz ODXASPXDZNTGDX-LLVKDONJSA-N 0 3 192.262 1.350 20 0 ADADHN CC[C@H](C)N1C[C@H](C)O[C@H](C)C1 163307983 344222048 /nfs/dbraw/zinc/22/20/48/344222048.db2.gz SBEPMSZQHGISSC-LPEHRKFASA-N 0 3 171.284 1.894 20 0 ADADHN Cc1ccoc1CN[C@H]1CCO[C@@H]1C 160693540 344174316 /nfs/dbraw/zinc/17/43/16/344174316.db2.gz OIBFGNHIHMFAIN-ZJUUUORDSA-N 0 3 195.262 1.855 20 0 ADADHN Cn1ccc(CN[C@@]2(C)CCOC2)c1 160691931 344174343 /nfs/dbraw/zinc/17/43/43/344174343.db2.gz ZPVOFYRKLGGVAA-NSHDSACASA-N 0 3 194.278 1.294 20 0 ADADHN Cc1ccoc1CN[C@@H]1CCO[C@@H]1C 160693415 344174463 /nfs/dbraw/zinc/17/44/63/344174463.db2.gz OIBFGNHIHMFAIN-NXEZZACHSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1ccoc1CN[C@@H]1CCO[C@H]1C 160693690 344174493 /nfs/dbraw/zinc/17/44/93/344174493.db2.gz OIBFGNHIHMFAIN-VHSXEESVSA-N 0 3 195.262 1.855 20 0 ADADHN Cn1ccc(CN[C@]2(C)CCOC2)c1 160692050 344174703 /nfs/dbraw/zinc/17/47/03/344174703.db2.gz ZPVOFYRKLGGVAA-LLVKDONJSA-N 0 3 194.278 1.294 20 0 ADADHN C[C@]1(O)CCCN(C/C=C/Cl)C1 160988377 344182444 /nfs/dbraw/zinc/18/24/44/344182444.db2.gz LAKBJIZHRVVQJC-SGRBOOSSSA-N 0 3 189.686 1.586 20 0 ADADHN C[C@@H]1CCCN1Cc1ccc(CO)o1 161168177 344186027 /nfs/dbraw/zinc/18/60/27/344186027.db2.gz KOSGOJCQSCPYDQ-SECBINFHSA-N 0 3 195.262 1.756 20 0 ADADHN C[C@H]1CCN(Cc2ccc(CO)o2)C1 161166361 344186047 /nfs/dbraw/zinc/18/60/47/344186047.db2.gz GOUICVFKTCSTEU-VIFPVBQESA-N 0 3 195.262 1.614 20 0 ADADHN C[C@@H]1CCN(Cc2ccc(CO)o2)C1 161166234 344186085 /nfs/dbraw/zinc/18/60/85/344186085.db2.gz GOUICVFKTCSTEU-SECBINFHSA-N 0 3 195.262 1.614 20 0 ADADHN C[C@H]1CCCN1Cc1ccc(CO)o1 161168303 344186257 /nfs/dbraw/zinc/18/62/57/344186257.db2.gz KOSGOJCQSCPYDQ-VIFPVBQESA-N 0 3 195.262 1.756 20 0 ADADHN C[C@]1(O)CCCN(Cc2ccco2)C1 161290106 344188754 /nfs/dbraw/zinc/18/87/54/344188754.db2.gz DOTXEZRNOXYHQD-NSHDSACASA-N 0 3 195.262 1.626 20 0 ADADHN C[C@@]1(O)CCCN(Cc2ccco2)C1 161290241 344189028 /nfs/dbraw/zinc/18/90/28/344189028.db2.gz DOTXEZRNOXYHQD-LLVKDONJSA-N 0 3 195.262 1.626 20 0 ADADHN CCN1CC[C@H](N)[C@@H]1c1cncs1 161711901 344196389 /nfs/dbraw/zinc/19/63/89/344196389.db2.gz WCMHVCZYQFKCLP-IONNQARKSA-N 0 3 197.307 1.237 20 0 ADADHN CCN1CC[C@@H](N)[C@@H]1c1cncs1 161712033 344196583 /nfs/dbraw/zinc/19/65/83/344196583.db2.gz WCMHVCZYQFKCLP-VXNVDRBHSA-N 0 3 197.307 1.237 20 0 ADADHN CC1CC(N[C@H](C)c2cnn(C)c2)C1 161782912 344198039 /nfs/dbraw/zinc/19/80/39/344198039.db2.gz SUEWQIGDNZJBTR-INWMGODYSA-N 0 3 193.294 1.869 20 0 ADADHN CC1CC(N[C@@H](C)c2cnn(C)c2)C1 161782787 344198323 /nfs/dbraw/zinc/19/83/23/344198323.db2.gz SUEWQIGDNZJBTR-YUCVTWSNSA-N 0 3 193.294 1.869 20 0 ADADHN Cc1ccc(CN[C@@H](C)CO)c(F)c1 161964646 344201566 /nfs/dbraw/zinc/20/15/66/344201566.db2.gz RUINBVVAEBTOAV-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(CN[C@H](C)CO)c(F)c1 161964754 344201584 /nfs/dbraw/zinc/20/15/84/344201584.db2.gz RUINBVVAEBTOAV-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN CC[C@H](CSC)NCc1cc[nH]n1 162189912 344204815 /nfs/dbraw/zinc/20/48/15/344204815.db2.gz SOUOQPCANYXZPR-MRVPVSSYSA-N 0 3 199.323 1.641 20 0 ADADHN CC[C@@H](CSC)NCc1cc[nH]n1 162189777 344204852 /nfs/dbraw/zinc/20/48/52/344204852.db2.gz SOUOQPCANYXZPR-QMMMGPOBSA-N 0 3 199.323 1.641 20 0 ADADHN CC[C@H](C)CC(=O)N1CCCNCC1 162625671 344211239 /nfs/dbraw/zinc/21/12/39/344211239.db2.gz GTEKXDNLGGHDKD-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@@H](C)CC(=O)N1CCCNCC1 162625563 344211359 /nfs/dbraw/zinc/21/13/59/344211359.db2.gz GTEKXDNLGGHDKD-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CCNCc1cncc(OCC)c1 162879231 344215613 /nfs/dbraw/zinc/21/56/13/344215613.db2.gz WNIWIDPYQLKYJO-UHFFFAOYSA-N 0 3 180.251 1.590 20 0 ADADHN CCOc1cncc(CNC(C)C)c1 162880318 344215920 /nfs/dbraw/zinc/21/59/20/344215920.db2.gz OUKHKXXALBHJGR-UHFFFAOYSA-N 0 3 194.278 1.978 20 0 ADADHN CCOc1cncc(CNC2CC2)c1 162880975 344216004 /nfs/dbraw/zinc/21/60/04/344216004.db2.gz WEFBXCMIKJHAOV-UHFFFAOYSA-N 0 3 192.262 1.732 20 0 ADADHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccco1 163298714 344221382 /nfs/dbraw/zinc/22/13/82/344221382.db2.gz MAHZWMJKJOKCQI-UWVGGRQHSA-N 0 3 195.262 1.529 20 0 ADADHN CC1(C)[C@H](O)C[C@H]1NCc1ccco1 163298827 344221631 /nfs/dbraw/zinc/22/16/31/344221631.db2.gz MAHZWMJKJOKCQI-NXEZZACHSA-N 0 3 195.262 1.529 20 0 ADADHN CC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 163307858 344222070 /nfs/dbraw/zinc/22/20/70/344222070.db2.gz SBEPMSZQHGISSC-BBBLOLIVSA-N 0 3 171.284 1.894 20 0 ADADHN CCSCCCNCc1cc[nH]n1 163824034 344230774 /nfs/dbraw/zinc/23/07/74/344230774.db2.gz XMSDUPOOUNFHOB-UHFFFAOYSA-N 0 3 199.323 1.643 20 0 ADADHN COCCCCCNCc1cc[nH]n1 163820087 344230953 /nfs/dbraw/zinc/23/09/53/344230953.db2.gz WVZASVICAZXPGL-UHFFFAOYSA-N 0 3 197.282 1.316 20 0 ADADHN CSCCNCc1cccnc1C 163848670 344231119 /nfs/dbraw/zinc/23/11/19/344231119.db2.gz MWPTWCSULSZSJM-UHFFFAOYSA-N 0 3 196.319 1.843 20 0 ADADHN COC[C@H](C)NCc1cccnc1C 163846443 344231130 /nfs/dbraw/zinc/23/11/30/344231130.db2.gz PXGRIOSYRZWKPD-VIFPVBQESA-N 0 3 194.278 1.515 20 0 ADADHN COC[C@@H](C)NCc1cccnc1C 163846503 344231381 /nfs/dbraw/zinc/23/13/81/344231381.db2.gz PXGRIOSYRZWKPD-SECBINFHSA-N 0 3 194.278 1.515 20 0 ADADHN CCSCCCNCc1ncc[nH]1 163912477 344233371 /nfs/dbraw/zinc/23/33/71/344233371.db2.gz GBTXSKAAIDQEBK-UHFFFAOYSA-N 0 3 199.323 1.643 20 0 ADADHN Cc1ncccc1CNCC(C)(C)O 163956261 344233668 /nfs/dbraw/zinc/23/36/68/344233668.db2.gz KLOQWBQPMQMFDL-UHFFFAOYSA-N 0 3 194.278 1.251 20 0 ADADHN CCC[C@@](C)(O)CNCc1ccco1 163988823 344234312 /nfs/dbraw/zinc/23/43/12/344234312.db2.gz GBDGWPKYNGYKKP-LLVKDONJSA-N 0 3 197.278 1.920 20 0 ADADHN CCC[C@](C)(O)CNCc1ccco1 163988726 344234536 /nfs/dbraw/zinc/23/45/36/344234536.db2.gz GBDGWPKYNGYKKP-NSHDSACASA-N 0 3 197.278 1.920 20 0 ADADHN CC[C@H](C)[C@@H](O)CNCc1ccco1 164010544 344234952 /nfs/dbraw/zinc/23/49/52/344234952.db2.gz JPTHVAUKWXQDNC-ONGXEEELSA-N 0 3 197.278 1.776 20 0 ADADHN CC[C@@H](C)[C@H](O)CNCc1ccco1 164010226 344235010 /nfs/dbraw/zinc/23/50/10/344235010.db2.gz JPTHVAUKWXQDNC-MWLCHTKSSA-N 0 3 197.278 1.776 20 0 ADADHN COC1CCN(Cc2ccco2)CC1 164033292 344235274 /nfs/dbraw/zinc/23/52/74/344235274.db2.gz MOCFDHMROLDSDQ-UHFFFAOYSA-N 0 3 195.262 1.890 20 0 ADADHN C[C@@H](O)CCN1CCS[C@H](C)C1 164080453 344236247 /nfs/dbraw/zinc/23/62/47/344236247.db2.gz XUZAUPQVVYKCIY-RKDXNWHRSA-N 0 3 189.324 1.195 20 0 ADADHN C[C@H](O)C[C@H](C)CNCc1ccco1 164325090 344241581 /nfs/dbraw/zinc/24/15/81/344241581.db2.gz SLAHJWHSSVFAHL-UWVGGRQHSA-N 0 3 197.278 1.776 20 0 ADADHN C[C@H](CNCc1ccco1)C[C@@H](C)O 164324856 344241822 /nfs/dbraw/zinc/24/18/22/344241822.db2.gz SLAHJWHSSVFAHL-VHSXEESVSA-N 0 3 197.278 1.776 20 0 ADADHN C[C@H](O)C[C@@H](C)CNCc1ccco1 164325204 344241835 /nfs/dbraw/zinc/24/18/35/344241835.db2.gz SLAHJWHSSVFAHL-ZJUUUORDSA-N 0 3 197.278 1.776 20 0 ADADHN C[C@@H](O)C[C@@H](C)CNCc1ccco1 164324979 344241888 /nfs/dbraw/zinc/24/18/88/344241888.db2.gz SLAHJWHSSVFAHL-NXEZZACHSA-N 0 3 197.278 1.776 20 0 ADADHN CCC(=O)C[C@@H]1CSCCN1 164339161 344242225 /nfs/dbraw/zinc/24/22/25/344242225.db2.gz NTFMRTMMOJKCQR-SSDOTTSWSA-N 0 3 173.281 1.061 20 0 ADADHN CCC(=O)C[C@H]1CSCCN1 164339277 344242396 /nfs/dbraw/zinc/24/23/96/344242396.db2.gz NTFMRTMMOJKCQR-ZETCQYMHSA-N 0 3 173.281 1.061 20 0 ADADHN CCCC(=O)C1(N)CCC1 164355789 344242736 /nfs/dbraw/zinc/24/27/36/344242736.db2.gz FQGQYSZROATWDF-UHFFFAOYSA-N 0 3 141.214 1.237 20 0 ADADHN CCC[C@](C)(CO)NCc1ccco1 164369811 344243653 /nfs/dbraw/zinc/24/36/53/344243653.db2.gz KJFGLOPOFUTBED-LLVKDONJSA-N 0 3 197.278 1.920 20 0 ADADHN CCC[C@@](C)(CO)NCc1ccco1 164369682 344243783 /nfs/dbraw/zinc/24/37/83/344243783.db2.gz KJFGLOPOFUTBED-NSHDSACASA-N 0 3 197.278 1.920 20 0 ADADHN Cc1ccoc1CN[C@@H]1CCC[C@H]1O 164611057 344247607 /nfs/dbraw/zinc/24/76/07/344247607.db2.gz SGLQQQDXWVSSOA-NXEZZACHSA-N 0 3 195.262 1.591 20 0 ADADHN CC[C@H](O)CCCNCc1ccco1 164691932 344250063 /nfs/dbraw/zinc/25/00/63/344250063.db2.gz OYEFETROWGKDKN-JTQLQIEISA-N 0 3 197.278 1.920 20 0 ADADHN CC[C@@H](O)CCCNCc1ccco1 164692051 344250073 /nfs/dbraw/zinc/25/00/73/344250073.db2.gz OYEFETROWGKDKN-SNVBAGLBSA-N 0 3 197.278 1.920 20 0 ADADHN Cn1cncc1CN1CCCC1 164788911 344252751 /nfs/dbraw/zinc/25/27/51/344252751.db2.gz XCGSUUOLWDQVIG-UHFFFAOYSA-N 0 3 165.240 1.016 20 0 ADADHN CC(C)(CCO)CNCc1ccco1 164974237 344256002 /nfs/dbraw/zinc/25/60/02/344256002.db2.gz CLMBEYPQYZHTJA-UHFFFAOYSA-N 0 3 197.278 1.778 20 0 ADADHN Cc1nnc(CN[C@@H]2CCC[C@@H]2C)[nH]1 165788606 344269622 /nfs/dbraw/zinc/26/96/22/344269622.db2.gz DUSMOUFHHYPQFI-IONNQARKSA-N 0 3 194.282 1.391 20 0 ADADHN Cc1nnc(CN[C@H]2CCC[C@@H]2C)[nH]1 165788720 344269880 /nfs/dbraw/zinc/26/98/80/344269880.db2.gz DUSMOUFHHYPQFI-CBAPKCEASA-N 0 3 194.282 1.391 20 0 ADADHN Cc1nnc(CN[C@@H]2CCC[C@H]2C)[nH]1 165788850 344269917 /nfs/dbraw/zinc/26/99/17/344269917.db2.gz DUSMOUFHHYPQFI-VXNVDRBHSA-N 0 3 194.282 1.391 20 0 ADADHN Cn1nccc1CN[C@H]1C=CCCC1 165892434 344272019 /nfs/dbraw/zinc/27/20/19/344272019.db2.gz SMGYWKAZQQIKSR-JTQLQIEISA-N 0 3 191.278 1.618 20 0 ADADHN Cn1nccc1CN[C@@H]1C=CCCC1 165892537 344272126 /nfs/dbraw/zinc/27/21/26/344272126.db2.gz SMGYWKAZQQIKSR-SNVBAGLBSA-N 0 3 191.278 1.618 20 0 ADADHN CCNCc1ccc(F)nc1 166001654 344273178 /nfs/dbraw/zinc/27/31/78/344273178.db2.gz MXAHDWALFLWKJY-UHFFFAOYSA-N 0 3 154.188 1.330 20 0 ADADHN CC[C@H]1CCN(C(=O)C2(N)CCC2)C1 166159138 344275376 /nfs/dbraw/zinc/27/53/76/344275376.db2.gz GGIQHTSLGUHAKA-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN CC[C@@H]1CCN(C(=O)C2(N)CCC2)C1 166159024 344275393 /nfs/dbraw/zinc/27/53/93/344275393.db2.gz GGIQHTSLGUHAKA-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN Cc1ncc([C@H](C)NC2CC2)c(C)n1 166191863 344275902 /nfs/dbraw/zinc/27/59/02/344275902.db2.gz LOMACRBBPMUPEI-QMMMGPOBSA-N 0 3 191.278 1.906 20 0 ADADHN CC1(C)CC[C@@H](CN2CC[C@H](O)C2)O1 166286394 344278226 /nfs/dbraw/zinc/27/82/26/344278226.db2.gz LPXDRVQYYRLCCR-UWVGGRQHSA-N 0 3 199.294 1.011 20 0 ADADHN CC(C)CNc1ccnc(CO)c1 166285538 344278321 /nfs/dbraw/zinc/27/83/21/344278321.db2.gz QPHSSALPZNYCIQ-UHFFFAOYSA-N 0 3 180.251 1.642 20 0 ADADHN CC1(C)CC[C@H](CN2CC[C@@H](O)C2)O1 166288811 344278362 /nfs/dbraw/zinc/27/83/62/344278362.db2.gz LPXDRVQYYRLCCR-NXEZZACHSA-N 0 3 199.294 1.011 20 0 ADADHN CC1(C)CC[C@@H](CN2CC[C@@H](O)C2)O1 166288922 344278402 /nfs/dbraw/zinc/27/84/02/344278402.db2.gz LPXDRVQYYRLCCR-ZJUUUORDSA-N 0 3 199.294 1.011 20 0 ADADHN CC1(C)CC[C@H](CN2CC[C@H](O)C2)O1 166286280 344278420 /nfs/dbraw/zinc/27/84/20/344278420.db2.gz LPXDRVQYYRLCCR-VHSXEESVSA-N 0 3 199.294 1.011 20 0 ADADHN NC(=O)[C@@H]1CCCCN1C1CCCC1 166568683 344284545 /nfs/dbraw/zinc/28/45/45/344284545.db2.gz MQYZHDXJVBBVDX-JTQLQIEISA-N 0 3 196.294 1.269 20 0 ADADHN NC(=O)[C@H]1CCCCN1C1CCCC1 166568555 344284736 /nfs/dbraw/zinc/28/47/36/344284736.db2.gz MQYZHDXJVBBVDX-SNVBAGLBSA-N 0 3 196.294 1.269 20 0 ADADHN C[C@H](N)c1cn(C2CCCC2)nn1 167125650 344297687 /nfs/dbraw/zinc/29/76/87/344297687.db2.gz IJRFLXQSCVUFCQ-ZETCQYMHSA-N 0 3 180.255 1.413 20 0 ADADHN C[C@@H](N)c1cn(C2CCCC2)nn1 167125766 344297767 /nfs/dbraw/zinc/29/77/67/344297767.db2.gz IJRFLXQSCVUFCQ-SSDOTTSWSA-N 0 3 180.255 1.413 20 0 ADADHN C[C@@H](N)c1cn(CC2CCC2)nn1 167136922 344298412 /nfs/dbraw/zinc/29/84/12/344298412.db2.gz VGQJFIZJWAQBPK-SSDOTTSWSA-N 0 3 180.255 1.098 20 0 ADADHN CC(C)CNC(=O)[C@H]1C[C@H](C)CCN1 167369075 344303515 /nfs/dbraw/zinc/30/35/15/344303515.db2.gz ZAINUXUYLXNVHA-NXEZZACHSA-N 0 3 198.310 1.147 20 0 ADADHN CC(C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 167368977 344303626 /nfs/dbraw/zinc/30/36/26/344303626.db2.gz ZAINUXUYLXNVHA-UWVGGRQHSA-N 0 3 198.310 1.147 20 0 ADADHN CC(C)N(C)C(=O)[C@H]1C[C@@H](C)CCN1 167378257 344303811 /nfs/dbraw/zinc/30/38/11/344303811.db2.gz NOMXNOKFEVTTKT-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)N(C)C(=O)[C@@H]1C[C@H](C)CCN1 167377931 344303893 /nfs/dbraw/zinc/30/38/93/344303893.db2.gz NOMXNOKFEVTTKT-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)N(C)C(=O)[C@@H]1C[C@@H](C)CCN1 167378044 344303935 /nfs/dbraw/zinc/30/39/35/344303935.db2.gz NOMXNOKFEVTTKT-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)N(C)C(=O)[C@H]1C[C@H](C)CCN1 167378158 344303988 /nfs/dbraw/zinc/30/39/88/344303988.db2.gz NOMXNOKFEVTTKT-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CNC(=O)[C@H]1C[C@@H](C)CCN1 167369179 344304045 /nfs/dbraw/zinc/30/40/45/344304045.db2.gz ZAINUXUYLXNVHA-VHSXEESVSA-N 0 3 198.310 1.147 20 0 ADADHN CCCN(C)C(=O)[C@@H]1C[C@@H](C)CCN1 167391775 344304261 /nfs/dbraw/zinc/30/42/61/344304261.db2.gz POCCLWNVXIIXIT-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN(C)C(=O)[C@@H]1C[C@H](C)CCN1 167391531 344304298 /nfs/dbraw/zinc/30/42/98/344304298.db2.gz POCCLWNVXIIXIT-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN(C)C(=O)[C@H]1C[C@@H](C)CCN1 167391880 344304426 /nfs/dbraw/zinc/30/44/26/344304426.db2.gz POCCLWNVXIIXIT-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H]1CN(CC(C)C)CCO1 167426578 344304984 /nfs/dbraw/zinc/30/49/84/344304984.db2.gz AHFIYRFINVCTIE-JTQLQIEISA-N 0 3 171.284 1.753 20 0 ADADHN CC[C@@H]1CN(CC(C)C)CCO1 167426485 344305007 /nfs/dbraw/zinc/30/50/07/344305007.db2.gz AHFIYRFINVCTIE-SNVBAGLBSA-N 0 3 171.284 1.753 20 0 ADADHN C[C@@H]1CCN[C@H](C(=O)NC2CCC2)C1 167434576 344305242 /nfs/dbraw/zinc/30/52/42/344305242.db2.gz LOFAEBMQEYBWCJ-SCZZXKLOSA-N 0 3 196.294 1.043 20 0 ADADHN C[C@H]1CCN[C@@H](C(=O)NC2CCC2)C1 167434906 344305302 /nfs/dbraw/zinc/30/53/02/344305302.db2.gz LOFAEBMQEYBWCJ-WCBMZHEXSA-N 0 3 196.294 1.043 20 0 ADADHN C[C@@H]1CCN[C@@H](C(=O)NC2CCC2)C1 167434786 344305461 /nfs/dbraw/zinc/30/54/61/344305461.db2.gz LOFAEBMQEYBWCJ-PSASIEDQSA-N 0 3 196.294 1.043 20 0 ADADHN C[C@@H]1C[C@@H]1c1noc(C(C)(C)CN)n1 167937028 344317072 /nfs/dbraw/zinc/31/70/72/344317072.db2.gz BHWXRYQSQHOQDM-RQJHMYQMSA-N 0 3 195.266 1.429 20 0 ADADHN C[C@H]1C[C@@H]1c1noc(C(C)(C)CN)n1 167937122 344316977 /nfs/dbraw/zinc/31/69/77/344316977.db2.gz BHWXRYQSQHOQDM-BQBZGAKWSA-N 0 3 195.266 1.429 20 0 ADADHN CC(C)c1noc(C(C)(C)CN)n1 167932790 344316987 /nfs/dbraw/zinc/31/69/87/344316987.db2.gz MKCHFTQSCWWNGO-UHFFFAOYSA-N 0 3 183.255 1.429 20 0 ADADHN C[C@@H]1C[C@H]1c1noc(C(C)(C)CN)n1 167937226 344317321 /nfs/dbraw/zinc/31/73/21/344317321.db2.gz BHWXRYQSQHOQDM-RNFRBKRXSA-N 0 3 195.266 1.429 20 0 ADADHN C[C@H]1C[C@H]1c1noc(C(C)(C)CN)n1 167937321 344317563 /nfs/dbraw/zinc/31/75/63/344317563.db2.gz BHWXRYQSQHOQDM-NKWVEPMBSA-N 0 3 195.266 1.429 20 0 ADADHN CC1(C)[C@H](O)C[C@H]1NCc1cc[nH]c1 168176647 344322937 /nfs/dbraw/zinc/32/29/37/344322937.db2.gz KODAZZHZQUUILG-NXEZZACHSA-N 0 3 194.278 1.264 20 0 ADADHN CC1(C)[C@@H](NCc2cc[nH]c2)C[C@H]1O 168176747 344322983 /nfs/dbraw/zinc/32/29/83/344322983.db2.gz KODAZZHZQUUILG-VHSXEESVSA-N 0 3 194.278 1.264 20 0 ADADHN CC1(C)[C@@H](O)C[C@@H]1NCc1cc[nH]c1 168176533 344323008 /nfs/dbraw/zinc/32/30/08/344323008.db2.gz KODAZZHZQUUILG-UWVGGRQHSA-N 0 3 194.278 1.264 20 0 ADADHN CC1(C)[C@@H](O)C[C@H]1NCc1cc[nH]c1 168176448 344323058 /nfs/dbraw/zinc/32/30/58/344323058.db2.gz KODAZZHZQUUILG-ZJUUUORDSA-N 0 3 194.278 1.264 20 0 ADADHN CCN(C)Cc1scnc1C 168241181 344326412 /nfs/dbraw/zinc/32/64/12/344326412.db2.gz NMPVUCGEODJCBJ-UHFFFAOYSA-N 0 3 170.281 1.903 20 0 ADADHN c1n[nH]cc1CN1CCCC1 168438372 344330921 /nfs/dbraw/zinc/33/09/21/344330921.db2.gz ZITINMWHIFLYDG-UHFFFAOYSA-N 0 3 151.213 1.006 20 0 ADADHN CCCN1CCOCC1(C)C 168592426 344333433 /nfs/dbraw/zinc/33/34/33/344333433.db2.gz YIABATVWFFLNIF-UHFFFAOYSA-N 0 3 157.257 1.507 20 0 ADADHN CC(C)c1noc(C2(CN)CC2)n1 168627315 344334180 /nfs/dbraw/zinc/33/41/80/344334180.db2.gz SBQLUHGNQXUHEB-UHFFFAOYSA-N 0 3 181.239 1.183 20 0 ADADHN C[C@@H](O)CN[C@@H]1CCCc2occc21 169195586 344348220 /nfs/dbraw/zinc/34/82/20/344348220.db2.gz GOYZSEHXJNMQJI-PSASIEDQSA-N 0 3 195.262 1.627 20 0 ADADHN OCCN[C@H]1CCCc2occc21 169194279 344348445 /nfs/dbraw/zinc/34/84/45/344348445.db2.gz ZPBZOALYIHDCBJ-VIFPVBQESA-N 0 3 181.235 1.239 20 0 ADADHN C[C@H](O)CN[C@@H]1CCCc2occc21 169195503 344348467 /nfs/dbraw/zinc/34/84/67/344348467.db2.gz GOYZSEHXJNMQJI-WCBMZHEXSA-N 0 3 195.262 1.627 20 0 ADADHN C[C@H](O)CN[C@H]1CCCc2occc21 169195662 344348509 /nfs/dbraw/zinc/34/85/09/344348509.db2.gz GOYZSEHXJNMQJI-WPRPVWTQSA-N 0 3 195.262 1.627 20 0 ADADHN C[C@@H](O)CN[C@H]1CCCc2occc21 169195740 344348552 /nfs/dbraw/zinc/34/85/52/344348552.db2.gz GOYZSEHXJNMQJI-SCZZXKLOSA-N 0 3 195.262 1.627 20 0 ADADHN OCCN[C@@H]1CCCc2occc21 169194194 344348556 /nfs/dbraw/zinc/34/85/56/344348556.db2.gz ZPBZOALYIHDCBJ-SECBINFHSA-N 0 3 181.235 1.239 20 0 ADADHN CCCCN1CCO[C@@H](C)C1 196558309 344357614 /nfs/dbraw/zinc/35/76/14/344357614.db2.gz BKPRTYKZSCEWAS-VIFPVBQESA-N 0 3 157.257 1.507 20 0 ADADHN CCCCN1CCO[C@H](C)C1 196558296 344357778 /nfs/dbraw/zinc/35/77/78/344357778.db2.gz BKPRTYKZSCEWAS-SECBINFHSA-N 0 3 157.257 1.507 20 0 ADADHN CC(C)CN1CC[C@H](F)C1 197425726 344359778 /nfs/dbraw/zinc/35/97/78/344359778.db2.gz WMMAPRYDYINTAF-QMMMGPOBSA-N 0 3 145.221 1.686 20 0 ADADHN CC(C)CN1CC[C@@H](F)C1 197425742 344359838 /nfs/dbraw/zinc/35/98/38/344359838.db2.gz WMMAPRYDYINTAF-MRVPVSSYSA-N 0 3 145.221 1.686 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C 200020153 344362524 /nfs/dbraw/zinc/36/25/24/344362524.db2.gz LZCYJOXRAUOVFG-UWVGGRQHSA-N 0 3 196.294 1.092 20 0 ADADHN CC(C)N1CCN(C2CCC2)CC1 200088153 344362310 /nfs/dbraw/zinc/36/23/10/344362310.db2.gz GVXAGEHKQGMRIU-UHFFFAOYSA-N 0 3 182.311 1.565 20 0 ADADHN CC[C@H](C)N1CCN(C(C)C)CC1 200107860 344362401 /nfs/dbraw/zinc/36/24/01/344362401.db2.gz QOIBRQQCEWITIR-NSHDSACASA-N 0 3 184.327 1.811 20 0 ADADHN Cc1ccc(CN2CCCC2)nc1 199972077 344362455 /nfs/dbraw/zinc/36/24/55/344362455.db2.gz PUEYDZAOFUMJAN-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C 200020119 344362496 /nfs/dbraw/zinc/36/24/96/344362496.db2.gz LZCYJOXRAUOVFG-ZJUUUORDSA-N 0 3 196.294 1.092 20 0 ADADHN CC[C@@H](C)N1CCN(C(C)C)CC1 200107832 344362514 /nfs/dbraw/zinc/36/25/14/344362514.db2.gz QOIBRQQCEWITIR-LLVKDONJSA-N 0 3 184.327 1.811 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@H]1CCCN1C 200020210 344362607 /nfs/dbraw/zinc/36/26/07/344362607.db2.gz LZCYJOXRAUOVFG-VHSXEESVSA-N 0 3 196.294 1.092 20 0 ADADHN CC(C)N(C)Cc1cnn(C)c1 200279615 344362810 /nfs/dbraw/zinc/36/28/10/344362810.db2.gz MHJFDKNHJVMFHA-UHFFFAOYSA-N 0 3 167.256 1.260 20 0 ADADHN OCCN1CCC[C@H]1c1cccnc1 200171465 344362819 /nfs/dbraw/zinc/36/28/19/344362819.db2.gz UDGLNAOITQOIFV-NSHDSACASA-N 0 3 192.262 1.211 20 0 ADADHN CNC(=O)CN(C)C1CCC(C)CC1 200137677 344362895 /nfs/dbraw/zinc/36/28/95/344362895.db2.gz FEXLNXXIUWYIFF-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN1CCO[C@H](C(C)C)C1 200163685 344362913 /nfs/dbraw/zinc/36/29/13/344362913.db2.gz JOLPSWXTERLGCC-JTQLQIEISA-N 0 3 171.284 1.753 20 0 ADADHN CCN1CCO[C@H](C(C)C)C1 200162772 344363018 /nfs/dbraw/zinc/36/30/18/344363018.db2.gz SDMYLZMDASTDJO-VIFPVBQESA-N 0 3 157.257 1.363 20 0 ADADHN CC(C)(C)[C@H]1CCCN(CC(N)=O)C1 200982491 344363833 /nfs/dbraw/zinc/36/38/33/344363833.db2.gz CKCDSQHKBDJQDE-VIFPVBQESA-N 0 3 198.310 1.230 20 0 ADADHN CC(C)(C)[C@@H]1CCCN(CC(N)=O)C1 200982448 344363845 /nfs/dbraw/zinc/36/38/45/344363845.db2.gz CKCDSQHKBDJQDE-SECBINFHSA-N 0 3 198.310 1.230 20 0 ADADHN CCOC1CCN(CCOC)CC1 200981992 344363873 /nfs/dbraw/zinc/36/38/73/344363873.db2.gz JLCOQVMBXYZHMU-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN CC1CCN(Cc2cnc[nH]2)CC1 201077451 344364179 /nfs/dbraw/zinc/36/41/79/344364179.db2.gz NMLZJQGXUWTCMA-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CNC(=O)[C@H]1CCCCN1CC(C)C 201168311 344364800 /nfs/dbraw/zinc/36/48/00/344364800.db2.gz FOSQSQVXVCBPTC-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)[C@@H]1CCCCN1CC(C)C 201168342 344364839 /nfs/dbraw/zinc/36/48/39/344364839.db2.gz FOSQSQVXVCBPTC-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)C1(C)CCN(C(=O)CN)CC1 201393098 344365203 /nfs/dbraw/zinc/36/52/03/344365203.db2.gz XYTAHIIETNUJIQ-UHFFFAOYSA-N 0 3 198.310 1.230 20 0 ADADHN CC(C)N(C)Cc1ccncc1 201506691 344365718 /nfs/dbraw/zinc/36/57/18/344365718.db2.gz IUWCNVQYEVIMOV-UHFFFAOYSA-N 0 3 164.252 1.922 20 0 ADADHN CC(C)N1CCN(CC2CCC2)CC1 201919571 344366243 /nfs/dbraw/zinc/36/62/43/344366243.db2.gz DYXPJLBSFUEEIA-UHFFFAOYSA-N 0 3 196.338 1.813 20 0 ADADHN COCCN(C)CCc1ccccc1 201919342 344366353 /nfs/dbraw/zinc/36/63/53/344366353.db2.gz SJRYEXUDXUNLRT-UHFFFAOYSA-N 0 3 193.290 1.807 20 0 ADADHN CCN1CCC(N2CCCC2=O)CC1 202295612 344366794 /nfs/dbraw/zinc/36/67/94/344366794.db2.gz KYHSTSGEHLKGLA-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CC[C@H](C)N1CCN(CC)CC1 204030368 344368688 /nfs/dbraw/zinc/36/86/88/344368688.db2.gz BTLAFPKPLWEQLK-JTQLQIEISA-N 0 3 170.300 1.422 20 0 ADADHN CC[C@@H](C)N1CCN(CC)CC1 204030349 344368858 /nfs/dbraw/zinc/36/88/58/344368858.db2.gz BTLAFPKPLWEQLK-SNVBAGLBSA-N 0 3 170.300 1.422 20 0 ADADHN CCN1CCO[C@@H]2CCC[C@@H]21 204946406 344370386 /nfs/dbraw/zinc/37/03/86/344370386.db2.gz ZJHSJQKZNGCSCV-DTWKUNHWSA-N 0 3 155.241 1.260 20 0 ADADHN CCN1CCO[C@H]2CCCC[C@@H]21 204946258 344370391 /nfs/dbraw/zinc/37/03/91/344370391.db2.gz VHEDHIXKZZNTGX-UWVGGRQHSA-N 0 3 169.268 1.650 20 0 ADADHN CCN1CCO[C@H]2CCC[C@@H]21 204946386 344370415 /nfs/dbraw/zinc/37/04/15/344370415.db2.gz ZJHSJQKZNGCSCV-IUCAKERBSA-N 0 3 155.241 1.260 20 0 ADADHN CCN1CCO[C@@H]2CCCC[C@@H]21 204946278 344370425 /nfs/dbraw/zinc/37/04/25/344370425.db2.gz VHEDHIXKZZNTGX-VHSXEESVSA-N 0 3 169.268 1.650 20 0 ADADHN CCN1CCO[C@H](C)[C@H]1C 204946581 344370461 /nfs/dbraw/zinc/37/04/61/344370461.db2.gz WHNYLIFNUVHCOQ-HTQZYQBOSA-N 0 3 143.230 1.116 20 0 ADADHN CCN1CCOc2ccccc2C1 205458717 344372764 /nfs/dbraw/zinc/37/27/64/344372764.db2.gz KAEGEEGLUBLSNL-UHFFFAOYSA-N 0 3 177.247 1.901 20 0 ADADHN CCCCN1CCOC[C@H]1C 206922289 344375531 /nfs/dbraw/zinc/37/55/31/344375531.db2.gz HHWXRXXAQZSVHR-SECBINFHSA-N 0 3 157.257 1.507 20 0 ADADHN CCC(=O)N(C)[C@H]1CCN(C(C)C)C1 208279799 344376657 /nfs/dbraw/zinc/37/66/57/344376657.db2.gz KXRBWQDMKSYTKV-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN C[C@@H]1CN(Cc2c[nH]cn2)C[C@H]1C 209787419 344377034 /nfs/dbraw/zinc/37/70/34/344377034.db2.gz KQZAQDORNNOOOM-RKDXNWHRSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@@H]1CN(Cc2c[nH]cn2)C[C@@H]1C 209787388 344377057 /nfs/dbraw/zinc/37/70/57/344377057.db2.gz KQZAQDORNNOOOM-DTORHVGOSA-N 0 3 179.267 1.498 20 0 ADADHN CN(C)C(=O)[C@H](N)CC1CCCCC1 211332517 344377403 /nfs/dbraw/zinc/37/74/03/344377403.db2.gz UNYPVAVUPQIZTG-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CN(C)C(=O)[C@@H](N)CC1CCCCC1 211332576 344377604 /nfs/dbraw/zinc/37/76/04/344377604.db2.gz UNYPVAVUPQIZTG-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN NC[C@@H](F)c1ccc(N)cc1 211926729 344379047 /nfs/dbraw/zinc/37/90/47/344379047.db2.gz MIXGIEXWSKYASH-MRVPVSSYSA-N 0 3 154.188 1.238 20 0 ADADHN NC[C@H](F)c1cccc(N)c1 211926632 344379025 /nfs/dbraw/zinc/37/90/25/344379025.db2.gz HXAKZAZMMXESNS-QMMMGPOBSA-N 0 3 154.188 1.238 20 0 ADADHN NC[C@@H](F)c1cccc(N)c1 211926569 344379051 /nfs/dbraw/zinc/37/90/51/344379051.db2.gz HXAKZAZMMXESNS-MRVPVSSYSA-N 0 3 154.188 1.238 20 0 ADADHN NC[C@H](F)c1ccccc1N 211926454 344379076 /nfs/dbraw/zinc/37/90/76/344379076.db2.gz KQYNIFHWHSLCFJ-ZETCQYMHSA-N 0 3 154.188 1.238 20 0 ADADHN Cc1ccc(C)c([C@@H](C)N)n1 211858613 344379095 /nfs/dbraw/zinc/37/90/95/344379095.db2.gz QKYFCPNPUHOACC-MRVPVSSYSA-N 0 3 150.225 1.718 20 0 ADADHN NC[C@@H](F)c1ccccc1N 211926372 344379168 /nfs/dbraw/zinc/37/91/68/344379168.db2.gz KQYNIFHWHSLCFJ-SSDOTTSWSA-N 0 3 154.188 1.238 20 0 ADADHN NC[C@H](F)c1ccc(N)cc1 211926802 344379196 /nfs/dbraw/zinc/37/91/96/344379196.db2.gz MIXGIEXWSKYASH-QMMMGPOBSA-N 0 3 154.188 1.238 20 0 ADADHN Cc1ccc(C)c([C@H](C)N)n1 211858685 344379212 /nfs/dbraw/zinc/37/92/12/344379212.db2.gz QKYFCPNPUHOACC-QMMMGPOBSA-N 0 3 150.225 1.718 20 0 ADADHN CCCCN1CCN2C(=O)CC[C@@H]2C1 213057714 344380863 /nfs/dbraw/zinc/38/08/63/344380863.db2.gz QMKRJGJXLWHPAS-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN CN[C@@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 216144567 344395082 /nfs/dbraw/zinc/39/50/82/344395082.db2.gz WVMLVQCHZPPGPP-AEJSXWLSSA-N 0 3 198.310 1.099 20 0 ADADHN CN[C@@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 216144614 344395192 /nfs/dbraw/zinc/39/51/92/344395192.db2.gz WVMLVQCHZPPGPP-BBBLOLIVSA-N 0 3 198.310 1.099 20 0 ADADHN CN[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 216144807 344395293 /nfs/dbraw/zinc/39/52/93/344395293.db2.gz YBSDBTIIFKZXMI-GUBZILKMSA-N 0 3 198.310 1.384 20 0 ADADHN CC[C@@H]1CCCN([C@H](CC)C(N)=O)C1 216198099 344395863 /nfs/dbraw/zinc/39/58/63/344395863.db2.gz MEYYAANKJMLEHS-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN COC(=O)[C@@H](C)N1CCC[C@@H](C)CC1 216824073 344399686 /nfs/dbraw/zinc/39/96/86/344399686.db2.gz PJEUZKNORJKSBU-NXEZZACHSA-N 0 3 199.294 1.670 20 0 ADADHN Cc1cc(CNC(C)(C)C)nn1C 217452302 344401637 /nfs/dbraw/zinc/40/16/37/344401637.db2.gz IKRTYFOUQGGIPG-UHFFFAOYSA-N 0 3 181.283 1.617 20 0 ADADHN CC[C@@]1(C)NCCc2nc[nH]c21 218708817 344415254 /nfs/dbraw/zinc/41/52/54/344415254.db2.gz FAGRVACMKPMUTE-SECBINFHSA-N 0 3 165.240 1.181 20 0 ADADHN CC[C@]1(C)NCCc2nc[nH]c21 218708892 344415322 /nfs/dbraw/zinc/41/53/22/344415322.db2.gz FAGRVACMKPMUTE-VIFPVBQESA-N 0 3 165.240 1.181 20 0 ADADHN Cc1nccnc1[C@H](C)NC1CC1 219074308 344419572 /nfs/dbraw/zinc/41/95/72/344419572.db2.gz BESJEGRJQITDBX-QMMMGPOBSA-N 0 3 177.251 1.598 20 0 ADADHN Cc1nccnc1[C@@H](C)NC1CC1 219074235 344419602 /nfs/dbraw/zinc/41/96/02/344419602.db2.gz BESJEGRJQITDBX-MRVPVSSYSA-N 0 3 177.251 1.598 20 0 ADADHN CCCCN1CCO[C@@H](COC)C1 219194436 344420919 /nfs/dbraw/zinc/42/09/19/344420919.db2.gz GHYONPQWPZMNJS-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN Cc1nccnc1[C@H](C)NC1CCC1 219186584 344420931 /nfs/dbraw/zinc/42/09/31/344420931.db2.gz PFURKHUYQSDYOP-VIFPVBQESA-N 0 3 191.278 1.988 20 0 ADADHN Cc1nccnc1[C@@H](C)NC1CCC1 219186512 344421172 /nfs/dbraw/zinc/42/11/72/344421172.db2.gz PFURKHUYQSDYOP-SECBINFHSA-N 0 3 191.278 1.988 20 0 ADADHN CCCCN1CCOC[C@@H]1CC 219352631 344422888 /nfs/dbraw/zinc/42/28/88/344422888.db2.gz GLPLKLOKSMFTFH-JTQLQIEISA-N 0 3 171.284 1.897 20 0 ADADHN CCCC(=O)NC[C@H](C)N(C)C1CC1 219348106 344422909 /nfs/dbraw/zinc/42/29/09/344422909.db2.gz GDMMUDBGEPQCLS-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)C(=O)NC[C@@H](C)N(C)C1CC1 219346292 344423144 /nfs/dbraw/zinc/42/31/44/344423144.db2.gz QALLRIAAPWBOQH-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CCCCN1CCOC[C@H]1CC 219352705 344423162 /nfs/dbraw/zinc/42/31/62/344423162.db2.gz GLPLKLOKSMFTFH-SNVBAGLBSA-N 0 3 171.284 1.897 20 0 ADADHN CCCCN1C[C@@H](C)OC[C@@H]1C 219352874 344423196 /nfs/dbraw/zinc/42/31/96/344423196.db2.gz BRYLIXFBAVZYCU-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CC(C)C(=O)NC[C@H](C)N(C)C1CC1 219346363 344423219 /nfs/dbraw/zinc/42/32/19/344423219.db2.gz QALLRIAAPWBOQH-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CCCC(=O)NC[C@@H](C)N(C)C1CC1 219348026 344423227 /nfs/dbraw/zinc/42/32/27/344423227.db2.gz GDMMUDBGEPQCLS-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN COCCCCN1CCSCC1 219544507 344425219 /nfs/dbraw/zinc/42/52/19/344425219.db2.gz WHMNJLZZDBEWIP-UHFFFAOYSA-N 0 3 189.324 1.462 20 0 ADADHN N#CCCNCCCCCCO 219519068 344425226 /nfs/dbraw/zinc/42/52/26/344425226.db2.gz XPRBKOHOJAMDRB-UHFFFAOYSA-N 0 3 170.256 1.042 20 0 ADADHN CCN1CCN(C2CCC2)CC1 219813479 344428210 /nfs/dbraw/zinc/42/82/10/344428210.db2.gz XOJYZJBUDNYLKZ-UHFFFAOYSA-N 0 3 168.284 1.176 20 0 ADADHN CCCN(C)Cc1ccncc1 219942876 344429312 /nfs/dbraw/zinc/42/93/12/344429312.db2.gz VASPVTWZOYFKGE-UHFFFAOYSA-N 0 3 164.252 1.923 20 0 ADADHN CN(Cc1ccc(N)nc1)C1CCC1 220374385 344432324 /nfs/dbraw/zinc/43/23/24/344432324.db2.gz NJFQVMUFSLRASA-UHFFFAOYSA-N 0 3 191.278 1.648 20 0 ADADHN C[C@@H](CO)NC/C=C\c1ccccc1 220559768 344433079 /nfs/dbraw/zinc/43/30/79/344433079.db2.gz PXOZGGJMJVUKHR-OFSNVTPPSA-N 0 3 191.274 1.670 20 0 ADADHN C[C@H](CO)NC/C=C\c1ccccc1 220559834 344433444 /nfs/dbraw/zinc/43/34/44/344433444.db2.gz PXOZGGJMJVUKHR-UIJKISKDSA-N 0 3 191.274 1.670 20 0 ADADHN CC[C@H]1CCCN1CCF 220826521 344435916 /nfs/dbraw/zinc/43/59/16/344435916.db2.gz LIYFIVPPXRTHRV-QMMMGPOBSA-N 0 3 145.221 1.830 20 0 ADADHN CCN1C[C@@H](C)OC[C@@H]1C 221024997 344437311 /nfs/dbraw/zinc/43/73/11/344437311.db2.gz HPUOCIKEXARTEL-JGVFFNPUSA-N 0 3 143.230 1.116 20 0 ADADHN CC[C@@H](O)CN1CCO[C@@H]2CCC[C@@H]21 221023050 344437467 /nfs/dbraw/zinc/43/74/67/344437467.db2.gz RFTCIUIMJSIGGC-OUAUKWLOSA-N 0 3 199.294 1.011 20 0 ADADHN CC[C@H](O)CN1CCO[C@@H]2CCC[C@@H]21 221023105 344437505 /nfs/dbraw/zinc/43/75/05/344437505.db2.gz RFTCIUIMJSIGGC-GARJFASQSA-N 0 3 199.294 1.011 20 0 ADADHN CN1CCC[C@@H]1CNc1nccs1 221256520 344440488 /nfs/dbraw/zinc/44/04/88/344440488.db2.gz MWGVFHSHWMXULR-MRVPVSSYSA-N 0 3 197.307 1.649 20 0 ADADHN C[C@]1(NCc2ccco2)CCCOC1 221342490 344442261 /nfs/dbraw/zinc/44/22/61/344442261.db2.gz SEALMIRDVFDOCK-NSHDSACASA-N 0 3 195.262 1.938 20 0 ADADHN C[C@@]1(NCc2c[nH]cn2)CCCOC1 221348862 344442279 /nfs/dbraw/zinc/44/22/79/344442279.db2.gz VNPUIVAFSKMPPX-SNVBAGLBSA-N 0 3 195.266 1.068 20 0 ADADHN C[C@@]1(NCc2cnc[nH]2)CCCOC1 221348862 344442281 /nfs/dbraw/zinc/44/22/81/344442281.db2.gz VNPUIVAFSKMPPX-SNVBAGLBSA-N 0 3 195.266 1.068 20 0 ADADHN C[C@]1(NCc2c[nH]cn2)CCCOC1 221348916 344442352 /nfs/dbraw/zinc/44/23/52/344442352.db2.gz VNPUIVAFSKMPPX-JTQLQIEISA-N 0 3 195.266 1.068 20 0 ADADHN C[C@]1(NCc2cnc[nH]2)CCCOC1 221348916 344442354 /nfs/dbraw/zinc/44/23/54/344442354.db2.gz VNPUIVAFSKMPPX-JTQLQIEISA-N 0 3 195.266 1.068 20 0 ADADHN C[C@@]1(NCc2ccco2)CCCOC1 221342433 344442365 /nfs/dbraw/zinc/44/23/65/344442365.db2.gz SEALMIRDVFDOCK-LLVKDONJSA-N 0 3 195.262 1.938 20 0 ADADHN CCN1CC[C@@H](C(F)(F)F)C1 221585861 344444326 /nfs/dbraw/zinc/44/43/26/344444326.db2.gz XJVQZRRJQQRCMU-ZCFIWIBFSA-N 0 3 167.174 1.891 20 0 ADADHN CCN1CC[C@H](C(F)(F)F)C1 221584839 344444612 /nfs/dbraw/zinc/44/46/12/344444612.db2.gz XJVQZRRJQQRCMU-LURJTMIESA-N 0 3 167.174 1.891 20 0 ADADHN C[C@@H]1CCCN1CCF 221646094 344444907 /nfs/dbraw/zinc/44/49/07/344444907.db2.gz UPUBLRFRFRATTG-SSDOTTSWSA-N 0 3 131.194 1.440 20 0 ADADHN C[C@H]1CCCN1CCF 221646147 344444932 /nfs/dbraw/zinc/44/49/32/344444932.db2.gz UPUBLRFRFRATTG-ZETCQYMHSA-N 0 3 131.194 1.440 20 0 ADADHN CCN1CCC[C@H](c2nc(C)no2)C1 221748828 344445494 /nfs/dbraw/zinc/44/54/94/344445494.db2.gz UDNBJVSZSBNBTC-VIFPVBQESA-N 0 3 195.266 1.577 20 0 ADADHN CCN1CCC[C@@H](c2nc(C)no2)C1 221748885 344445635 /nfs/dbraw/zinc/44/56/35/344445635.db2.gz UDNBJVSZSBNBTC-SECBINFHSA-N 0 3 195.266 1.577 20 0 ADADHN C[C@@H](O)CCN1CCO[C@@H]2CCC[C@@H]21 222089620 344448948 /nfs/dbraw/zinc/44/89/48/344448948.db2.gz KOSDWGWCCBZCFU-OUAUKWLOSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H](O)CCN1CCO[C@@H]2CCC[C@@H]21 222089668 344449068 /nfs/dbraw/zinc/44/90/68/344449068.db2.gz KOSDWGWCCBZCFU-GARJFASQSA-N 0 3 199.294 1.011 20 0 ADADHN CCC(=O)C1(NC)CCCC1 222307384 344451186 /nfs/dbraw/zinc/45/11/86/344451186.db2.gz HPJWQYUNKMBDRZ-UHFFFAOYSA-N 0 3 155.241 1.498 20 0 ADADHN C[C@H](N[C@@H]1CCSC1)c1cn[nH]c1 222487802 344452428 /nfs/dbraw/zinc/45/24/28/344452428.db2.gz XCLRUYBJGKDCBR-IONNQARKSA-N 0 3 197.307 1.566 20 0 ADADHN C[C@@H](N[C@@H]1CCCOC1)c1cn[nH]c1 222501479 344452908 /nfs/dbraw/zinc/45/29/08/344452908.db2.gz SZWRQBAJTPWJQX-PSASIEDQSA-N 0 3 195.266 1.239 20 0 ADADHN C[C@@H](N[C@H]1CCCOC1)c1cn[nH]c1 222501600 344453069 /nfs/dbraw/zinc/45/30/69/344453069.db2.gz SZWRQBAJTPWJQX-SCZZXKLOSA-N 0 3 195.266 1.239 20 0 ADADHN C[C@H](N[C@H]1CCCOC1)c1cn[nH]c1 222501661 344453258 /nfs/dbraw/zinc/45/32/58/344453258.db2.gz SZWRQBAJTPWJQX-WPRPVWTQSA-N 0 3 195.266 1.239 20 0 ADADHN CO[C@@H](CN)c1ncc(Cl)s1 223298067 344459197 /nfs/dbraw/zinc/45/91/97/344459197.db2.gz VUPWUOGSUNROTR-BYPYZUCNSA-N 0 3 192.671 1.443 20 0 ADADHN CO[C@H](CN)c1ncc(Cl)s1 223298113 344459515 /nfs/dbraw/zinc/45/95/15/344459515.db2.gz VUPWUOGSUNROTR-SCSAIBSYSA-N 0 3 192.671 1.443 20 0 ADADHN O[C@H]1Cc2ccccc2[C@@H]1NC1CC1 223700344 344461966 /nfs/dbraw/zinc/46/19/66/344461966.db2.gz JZZUPGYXEOLAPO-RYUDHWBXSA-N 0 3 189.258 1.397 20 0 ADADHN CC(C)C1CCC(NC(=O)CN)CC1 223701878 344462067 /nfs/dbraw/zinc/46/20/67/344462067.db2.gz DJFOCOWRONOMQN-UHFFFAOYSA-N 0 3 198.310 1.276 20 0 ADADHN CCC(=O)NCCNc1ccncc1 224273193 344467424 /nfs/dbraw/zinc/46/74/24/344467424.db2.gz QQPIOXRIWYLRSL-UHFFFAOYSA-N 0 3 193.250 1.020 20 0 ADADHN CCN1CCC(C(F)F)CC1 224221318 344467540 /nfs/dbraw/zinc/46/75/40/344467540.db2.gz HCFNKCASKZIGFF-UHFFFAOYSA-N 0 3 163.211 1.983 20 0 ADADHN CC(=O)CN1CCC[C@@H](C)[C@@H]1C 224711739 344472299 /nfs/dbraw/zinc/47/22/99/344472299.db2.gz RYDCBPLOAVMNCQ-SCZZXKLOSA-N 0 3 169.268 1.696 20 0 ADADHN CC(=O)CN1CCC[C@H](C)[C@@H]1C 224711788 344472345 /nfs/dbraw/zinc/47/23/45/344472345.db2.gz RYDCBPLOAVMNCQ-WPRPVWTQSA-N 0 3 169.268 1.696 20 0 ADADHN CC(C)N(C)CC(=O)NC(C)(C)C 224996485 344475690 /nfs/dbraw/zinc/47/56/90/344475690.db2.gz XBHPBZKKSMTMHS-UHFFFAOYSA-N 0 3 186.299 1.241 20 0 ADADHN CC1CCN(Cc2ccnn2C)CC1 225251702 344479094 /nfs/dbraw/zinc/47/90/94/344479094.db2.gz BGKHQTFTAPNNBC-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCCN1 225463016 344481718 /nfs/dbraw/zinc/48/17/18/344481718.db2.gz LJTWXGYZDQZDBS-KXUCPTDWSA-N 0 3 196.294 1.043 20 0 ADADHN CC[C@@H]1CN(CC)C[C@@H](CC)O1 225611673 344483410 /nfs/dbraw/zinc/48/34/10/344483410.db2.gz RAGZHMGJBALFDZ-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H]1CN(CC)C[C@H](CC)O1 225611642 344483417 /nfs/dbraw/zinc/48/34/17/344483417.db2.gz RAGZHMGJBALFDZ-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H]1CN(CC)C[C@@H](CC)O1 225611618 344483656 /nfs/dbraw/zinc/48/36/56/344483656.db2.gz RAGZHMGJBALFDZ-AOOOYVTPSA-N 0 3 171.284 1.896 20 0 ADADHN CCSCCN(C)[C@H]1CCOC1 227564974 344535463 /nfs/dbraw/zinc/53/54/63/344535463.db2.gz ZEAKNZVEAQFGKM-VIFPVBQESA-N 0 3 189.324 1.460 20 0 ADADHN C[C@@]1(O)CCN(Cc2ccccn2)C1 226203142 344494166 /nfs/dbraw/zinc/49/41/66/344494166.db2.gz JWWJSWFBYQRGBC-LLVKDONJSA-N 0 3 192.262 1.038 20 0 ADADHN C[C@@]1(O)CCN(Cc2cccnc2)C1 226204761 344494210 /nfs/dbraw/zinc/49/42/10/344494210.db2.gz BKMOCMHZQPZTGJ-LLVKDONJSA-N 0 3 192.262 1.038 20 0 ADADHN C[C@]1(O)CCN(CCC(F)(F)F)C1 226204470 344494265 /nfs/dbraw/zinc/49/42/65/344494265.db2.gz ZSSLUTSMRVEQDD-ZETCQYMHSA-N 0 3 197.200 1.396 20 0 ADADHN C[C@]1(O)CCN(Cc2cccnc2)C1 226204769 344494271 /nfs/dbraw/zinc/49/42/71/344494271.db2.gz BKMOCMHZQPZTGJ-NSHDSACASA-N 0 3 192.262 1.038 20 0 ADADHN C[C@]1(O)CCN(Cc2ccccn2)C1 226203154 344494471 /nfs/dbraw/zinc/49/44/71/344494471.db2.gz JWWJSWFBYQRGBC-NSHDSACASA-N 0 3 192.262 1.038 20 0 ADADHN CNCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 226197006 344494510 /nfs/dbraw/zinc/49/45/10/344494510.db2.gz RRVJDCQBPSDVSW-KXUCPTDWSA-N 0 3 198.310 1.147 20 0 ADADHN CNCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 226197023 344494519 /nfs/dbraw/zinc/49/45/19/344494519.db2.gz RRVJDCQBPSDVSW-LPEHRKFASA-N 0 3 198.310 1.147 20 0 ADADHN CC[C@@H]1CCC[C@H]([C@@H](N)C(N)=O)C1 226237371 344496072 /nfs/dbraw/zinc/49/60/72/344496072.db2.gz GXARCVSGTRBQPT-HRDYMLBCSA-N 0 3 184.283 1.015 20 0 ADADHN CC[C@@H]1CCC[C@@H]([C@@H](N)C(N)=O)C1 226237356 344496139 /nfs/dbraw/zinc/49/61/39/344496139.db2.gz GXARCVSGTRBQPT-IWSPIJDZSA-N 0 3 184.283 1.015 20 0 ADADHN CC1(C)C[C@@H]1CNCc1ncc[nH]1 226257157 344496293 /nfs/dbraw/zinc/49/62/93/344496293.db2.gz SVSXHYVVVTZOPF-MRVPVSSYSA-N 0 3 179.267 1.545 20 0 ADADHN CC1(C)C[C@@H]1CNCc1cc[nH]n1 226255466 344496552 /nfs/dbraw/zinc/49/65/52/344496552.db2.gz SXMZNRFJVGMAGA-MRVPVSSYSA-N 0 3 179.267 1.545 20 0 ADADHN Cn1ccc(CNC[C@@H]2CC2(C)C)n1 226254923 344496677 /nfs/dbraw/zinc/49/66/77/344496677.db2.gz WZIVVYWNKAPTQJ-VIFPVBQESA-N 0 3 193.294 1.556 20 0 ADADHN CC1(C)C[C@H]1CNCc1cc[nH]n1 226255472 344496694 /nfs/dbraw/zinc/49/66/94/344496694.db2.gz SXMZNRFJVGMAGA-QMMMGPOBSA-N 0 3 179.267 1.545 20 0 ADADHN CC1(C)C[C@H]1CNCc1ncc[nH]1 226257167 344496698 /nfs/dbraw/zinc/49/66/98/344496698.db2.gz SVSXHYVVVTZOPF-QMMMGPOBSA-N 0 3 179.267 1.545 20 0 ADADHN Cn1ccc(CNC[C@H]2CC2(C)C)n1 226254929 344496738 /nfs/dbraw/zinc/49/67/38/344496738.db2.gz WZIVVYWNKAPTQJ-SECBINFHSA-N 0 3 193.294 1.556 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@H]1CCCCN1 226349264 344500412 /nfs/dbraw/zinc/50/04/12/344500412.db2.gz LJTWXGYZDQZDBS-OPRDCNLKSA-N 0 3 196.294 1.043 20 0 ADADHN CC[C@H](N)C(=O)Nc1cncc(C)c1 226400641 344502010 /nfs/dbraw/zinc/50/20/10/344502010.db2.gz OVEZVGUYWMDPRO-VIFPVBQESA-N 0 3 193.250 1.066 20 0 ADADHN CC(=O)[C@@]1(N)CCC[C@H](C)C1 226462767 344503497 /nfs/dbraw/zinc/50/34/97/344503497.db2.gz BLZFNIMROJSFJY-IONNQARKSA-N 0 3 155.241 1.483 20 0 ADADHN CC(=O)[C@]1(N)CCC[C@H](C)C1 226462771 344503640 /nfs/dbraw/zinc/50/36/40/344503640.db2.gz BLZFNIMROJSFJY-CBAPKCEASA-N 0 3 155.241 1.483 20 0 ADADHN CC(=O)[C@]1(N)CCC[C@@H](C)C1 226462762 344503713 /nfs/dbraw/zinc/50/37/13/344503713.db2.gz BLZFNIMROJSFJY-APPZFPTMSA-N 0 3 155.241 1.483 20 0 ADADHN C[C@H](N)C(=O)Nc1cc(Cl)ccn1 226673951 344510034 /nfs/dbraw/zinc/51/00/34/344510034.db2.gz JRVVWIHLLWEVGW-YFKPBYRVSA-N 0 3 199.641 1.021 20 0 ADADHN CC(C)CC(=O)C1(N)CCC1 226778607 344513573 /nfs/dbraw/zinc/51/35/73/344513573.db2.gz BQBVGIQBEUZKCV-UHFFFAOYSA-N 0 3 155.241 1.483 20 0 ADADHN CC[C@H](C)C(=O)C1(N)CCC1 226778409 344513642 /nfs/dbraw/zinc/51/36/42/344513642.db2.gz CZUPJZARFQFCLM-ZETCQYMHSA-N 0 3 155.241 1.483 20 0 ADADHN CC(C)(C)C(=O)C1(N)CCC1 226780200 344513699 /nfs/dbraw/zinc/51/36/99/344513699.db2.gz XITUDMVASLJTSL-UHFFFAOYSA-N 0 3 155.241 1.483 20 0 ADADHN CC[C@@H](C)C(=O)C1(N)CCC1 226778403 344513710 /nfs/dbraw/zinc/51/37/10/344513710.db2.gz CZUPJZARFQFCLM-SSDOTTSWSA-N 0 3 155.241 1.483 20 0 ADADHN C[C@@H](O)CN[C@@H]1CCc2cccnc21 226803933 344514255 /nfs/dbraw/zinc/51/42/55/344514255.db2.gz PKVHBYJTCXSPTO-PSASIEDQSA-N 0 3 192.262 1.039 20 0 ADADHN C[C@@H](O)CN[C@H]1CCc2cccnc21 226803947 344514285 /nfs/dbraw/zinc/51/42/85/344514285.db2.gz PKVHBYJTCXSPTO-SCZZXKLOSA-N 0 3 192.262 1.039 20 0 ADADHN C[C@H](O)CN[C@H]1CCc2cccnc21 226803958 344514319 /nfs/dbraw/zinc/51/43/19/344514319.db2.gz PKVHBYJTCXSPTO-WPRPVWTQSA-N 0 3 192.262 1.039 20 0 ADADHN C[C@H](O)CN[C@@H]1CCc2cccnc21 226803938 344514337 /nfs/dbraw/zinc/51/43/37/344514337.db2.gz PKVHBYJTCXSPTO-WCBMZHEXSA-N 0 3 192.262 1.039 20 0 ADADHN CCOC(=O)[C@@H](CC)N1CC[C@@H](C)C1 227091422 344522140 /nfs/dbraw/zinc/52/21/40/344522140.db2.gz YVSZLFPBYJYARZ-NXEZZACHSA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)[C@H](CC)N1CC[C@@H](C)C1 227091428 344522381 /nfs/dbraw/zinc/52/23/81/344522381.db2.gz YVSZLFPBYJYARZ-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN CN[C@@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C 227157403 344523928 /nfs/dbraw/zinc/52/39/28/344523928.db2.gz LVSACAXCIOZMLO-GUBZILKMSA-N 0 3 198.310 1.241 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H](C)C1 227152290 344524023 /nfs/dbraw/zinc/52/40/23/344524023.db2.gz USAARDVNARBQDR-UTLUCORTSA-N 0 3 198.310 1.289 20 0 ADADHN CN[C@@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C 227157396 344524160 /nfs/dbraw/zinc/52/41/60/344524160.db2.gz LVSACAXCIOZMLO-UTLUCORTSA-N 0 3 198.310 1.241 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)C1 227152280 344524172 /nfs/dbraw/zinc/52/41/72/344524172.db2.gz USAARDVNARBQDR-KXUCPTDWSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H]1CCN(Cc2ccco2)[C@@H]1CO 227186789 344524431 /nfs/dbraw/zinc/52/44/31/344524431.db2.gz OYHKAKGRCKIQIL-GXSJLCMTSA-N 0 3 195.262 1.482 20 0 ADADHN COC(=O)[C@@H](C)N1C[C@@H](C)[C@@H](C)C1 227329921 344528669 /nfs/dbraw/zinc/52/86/69/344528669.db2.gz BXWJCRVCFGWMSF-HRDYMLBCSA-N 0 3 185.267 1.136 20 0 ADADHN CCOC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 227330111 344528884 /nfs/dbraw/zinc/52/88/84/344528884.db2.gz AGMKXLHHGYGKGZ-GUBZILKMSA-N 0 3 199.294 1.526 20 0 ADADHN C[C@@H](NC1CCC1)c1cn[nH]c1 227491166 344532072 /nfs/dbraw/zinc/53/20/72/344532072.db2.gz SVZAXRQLUOTRQT-SSDOTTSWSA-N 0 3 165.240 1.613 20 0 ADADHN C[C@H](NC1CCC1)c1cn[nH]c1 227491172 344532287 /nfs/dbraw/zinc/53/22/87/344532287.db2.gz SVZAXRQLUOTRQT-ZETCQYMHSA-N 0 3 165.240 1.613 20 0 ADADHN CCCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 227525960 344533519 /nfs/dbraw/zinc/53/35/19/344533519.db2.gz RSTLDMQBDXHENN-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 227525957 344533659 /nfs/dbraw/zinc/53/36/59/344533659.db2.gz RSTLDMQBDXHENN-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCN(CCNC(=O)C(C)C)C1CC1 227553006 344534395 /nfs/dbraw/zinc/53/43/95/344534395.db2.gz HRZMRBORIBTHBA-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCCC(=O)NCCN(CC)C1CC1 227553440 344534483 /nfs/dbraw/zinc/53/44/83/344534483.db2.gz ZJKCGZATHUWXBA-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCSCCN(C)[C@@H]1CCOC1 227564969 344535500 /nfs/dbraw/zinc/53/55/00/344535500.db2.gz ZEAKNZVEAQFGKM-SECBINFHSA-N 0 3 189.324 1.460 20 0 ADADHN CSC1(CNCc2cc[nH]n2)CC1 227949225 344552578 /nfs/dbraw/zinc/55/25/78/344552578.db2.gz ZPLXMSBCBULGNP-UHFFFAOYSA-N 0 3 197.307 1.395 20 0 ADADHN CC(=O)CN1CCC[C@H]2CCC[C@H]21 228032858 344556045 /nfs/dbraw/zinc/55/60/45/344556045.db2.gz LVHXODRPYDJLHK-GHMZBOCLSA-N 0 3 181.279 1.840 20 0 ADADHN CC(=O)CN1CCC[C@@H]2CCC[C@H]21 228032854 344556112 /nfs/dbraw/zinc/55/61/12/344556112.db2.gz LVHXODRPYDJLHK-WDEREUQCSA-N 0 3 181.279 1.840 20 0 ADADHN C[C@H]1CCN1C[C@@H](O)c1ccccc1 228517375 344562957 /nfs/dbraw/zinc/56/29/57/344562957.db2.gz VLGPKJWTICFSLZ-CMPLNLGQSA-N 0 3 191.274 1.814 20 0 ADADHN C[C@@H]1CCN1C[C@@H](O)c1ccccc1 228517368 344563275 /nfs/dbraw/zinc/56/32/75/344563275.db2.gz VLGPKJWTICFSLZ-ZYHUDNBSSA-N 0 3 191.274 1.814 20 0 ADADHN CC(C)[C@H](N)C(=O)NC1(C)CCC1 228858318 344571671 /nfs/dbraw/zinc/57/16/71/344571671.db2.gz CVZBFYADTRTMQU-QMMMGPOBSA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)=CCNC(=O)[C@@H]1CCCCN1 229056980 344581028 /nfs/dbraw/zinc/58/10/28/344581028.db2.gz IPDMNDQIKSKXNX-JTQLQIEISA-N 0 3 196.294 1.211 20 0 ADADHN CC(C)=CCNC(=O)[C@H]1CCCCN1 229056993 344581042 /nfs/dbraw/zinc/58/10/42/344581042.db2.gz IPDMNDQIKSKXNX-SNVBAGLBSA-N 0 3 196.294 1.211 20 0 ADADHN CC[C@H](N)c1cn(C2CCCC2)nn1 229942928 344621216 /nfs/dbraw/zinc/62/12/16/344621216.db2.gz TVLDBIMFBNVOMI-VIFPVBQESA-N 0 3 194.282 1.803 20 0 ADADHN CC[C@@H](N)c1cn(C2CCCC2)nn1 229942921 344621241 /nfs/dbraw/zinc/62/12/41/344621241.db2.gz TVLDBIMFBNVOMI-SECBINFHSA-N 0 3 194.282 1.803 20 0 ADADHN C[C@@H]1OCC[C@]1(C)NCc1c[nH]cn1 230152312 344626918 /nfs/dbraw/zinc/62/69/18/344626918.db2.gz RQCGQCUGJCEJNN-WPRPVWTQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1OCC[C@]1(C)NCc1cnc[nH]1 230152312 344626921 /nfs/dbraw/zinc/62/69/21/344626921.db2.gz RQCGQCUGJCEJNN-WPRPVWTQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1OCC[C@@]1(C)NCc1c[nH]cn1 230152309 344627030 /nfs/dbraw/zinc/62/70/30/344627030.db2.gz RQCGQCUGJCEJNN-PSASIEDQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1OCC[C@@]1(C)NCc1cnc[nH]1 230152309 344627032 /nfs/dbraw/zinc/62/70/32/344627032.db2.gz RQCGQCUGJCEJNN-PSASIEDQSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1OCC[C@]1(C)NCc1c[nH]cn1 230152316 344627085 /nfs/dbraw/zinc/62/70/85/344627085.db2.gz RQCGQCUGJCEJNN-SCZZXKLOSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@H]1OCC[C@]1(C)NCc1cnc[nH]1 230152316 344627086 /nfs/dbraw/zinc/62/70/86/344627086.db2.gz RQCGQCUGJCEJNN-SCZZXKLOSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1CCN(Cc2ccco2)C[C@@H]1O 230267825 344630512 /nfs/dbraw/zinc/63/05/12/344630512.db2.gz MNOQRZOIEHPLJQ-KOLCDFICSA-N 0 3 195.262 1.482 20 0 ADADHN Nc1ccncc1-c1ncc[nH]1 230367617 344631966 /nfs/dbraw/zinc/63/19/66/344631966.db2.gz NOIKGQCVIQVFQW-UHFFFAOYSA-N 0 3 160.180 1.054 20 0 ADADHN CC(C)(NCc1ncc[nH]1)C1CC1 230674058 344638920 /nfs/dbraw/zinc/63/89/20/344638920.db2.gz PSODMILGNBYZIJ-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN Cn1ccc(CNC(C)(C)C2CC2)n1 230674976 344639007 /nfs/dbraw/zinc/63/90/07/344639007.db2.gz QVAZCBKSIRBQQL-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cc(CNC(C)(C)C2CC2)nn1 230673923 344639101 /nfs/dbraw/zinc/63/91/01/344639101.db2.gz UQWFUBGSDSWIOZ-UHFFFAOYSA-N 0 3 194.282 1.093 20 0 ADADHN CC(C)(NCc1cc[nH]n1)C1CC1 230674083 344639139 /nfs/dbraw/zinc/63/91/39/344639139.db2.gz WSVSRGGEFZSETH-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H]1C[C@@H](C)C[C@@H](O)N1C 230840343 344644239 /nfs/dbraw/zinc/64/42/39/344644239.db2.gz LHHMINTWTLCOGI-GJMOJQLCSA-N 0 3 143.230 1.055 20 0 ADADHN C[C@@H]1C[C@@H](C)N(C)[C@H](O)C1 230840388 344644310 /nfs/dbraw/zinc/64/43/10/344644310.db2.gz LHHMINTWTLCOGI-BWZBUEFSSA-N 0 3 143.230 1.055 20 0 ADADHN C[C@@H]1C[C@H]1NCc1cncc(F)c1 230940145 344645696 /nfs/dbraw/zinc/64/56/96/344645696.db2.gz GSNXOHDHTRXMIP-GMSGAONNSA-N 0 3 180.226 1.719 20 0 ADADHN C[C@H]1C[C@@H]1NCc1cncc(F)c1 230940141 344645767 /nfs/dbraw/zinc/64/57/67/344645767.db2.gz GSNXOHDHTRXMIP-XVKPBYJWSA-N 0 3 180.226 1.719 20 0 ADADHN FCCN[C@@H]1CCSC1 231352031 344651327 /nfs/dbraw/zinc/65/13/27/344651327.db2.gz WLTRNVGARWLPNW-ZCFIWIBFSA-N 0 3 149.234 1.051 20 0 ADADHN FCCN[C@H]1CCSC1 231352033 344651425 /nfs/dbraw/zinc/65/14/25/344651425.db2.gz WLTRNVGARWLPNW-LURJTMIESA-N 0 3 149.234 1.051 20 0 ADADHN CC(C)C1CCN([C@H](C)C(N)=O)CC1 231699204 344657549 /nfs/dbraw/zinc/65/75/49/344657549.db2.gz LFTWEHJDZLDHLV-SECBINFHSA-N 0 3 198.310 1.228 20 0 ADADHN c1cc(CN[C@@H]2CCCOCC2)on1 231881610 344662923 /nfs/dbraw/zinc/66/29/23/344662923.db2.gz YDOKXVUVUWDSOB-SECBINFHSA-N 0 3 196.250 1.333 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1ccno1 231880555 344662996 /nfs/dbraw/zinc/66/29/96/344662996.db2.gz ZVZXWZNXZRRMRB-WPRPVWTQSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@H]1CC[C@H](NCc2ccno2)C1 231882245 344663087 /nfs/dbraw/zinc/66/30/87/344663087.db2.gz VEUDPDSFKUMOMS-IUCAKERBSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1ccno1 231880559 344663110 /nfs/dbraw/zinc/66/31/10/344663110.db2.gz ZVZXWZNXZRRMRB-WCBMZHEXSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@H]1C[C@@H](NCc2ccno2)CCO1 231882917 344663153 /nfs/dbraw/zinc/66/31/53/344663153.db2.gz KQYNOBDWPBRRPZ-IUCAKERBSA-N 0 3 196.250 1.332 20 0 ADADHN C[C@H]1C[C@H](NCc2ccno2)CCO1 231882921 344663165 /nfs/dbraw/zinc/66/31/65/344663165.db2.gz KQYNOBDWPBRRPZ-DTWKUNHWSA-N 0 3 196.250 1.332 20 0 ADADHN C[C@@H]1C[C@H](NCc2ccno2)CCO1 231882919 344663190 /nfs/dbraw/zinc/66/31/90/344663190.db2.gz KQYNOBDWPBRRPZ-RKDXNWHRSA-N 0 3 196.250 1.332 20 0 ADADHN C[C@H]1CC[C@@H](NCc2ccno2)C1 231882240 344663250 /nfs/dbraw/zinc/66/32/50/344663250.db2.gz VEUDPDSFKUMOMS-DTWKUNHWSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1ccno1 231880553 344663255 /nfs/dbraw/zinc/66/32/55/344663255.db2.gz ZVZXWZNXZRRMRB-SCZZXKLOSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1ccno1 231880557 344663295 /nfs/dbraw/zinc/66/32/95/344663295.db2.gz ZVZXWZNXZRRMRB-PSASIEDQSA-N 0 3 180.251 1.953 20 0 ADADHN c1cc(CN[C@H]2CCCOCC2)on1 231881612 344663318 /nfs/dbraw/zinc/66/33/18/344663318.db2.gz YDOKXVUVUWDSOB-VIFPVBQESA-N 0 3 196.250 1.333 20 0 ADADHN c1cc(CNC2CCSCC2)on1 231883460 344663386 /nfs/dbraw/zinc/66/33/86/344663386.db2.gz IBXJBNWVCVYSQR-UHFFFAOYSA-N 0 3 198.291 1.660 20 0 ADADHN C[C@@H]1CC[C@H](NCc2ccno2)C1 231882243 344663397 /nfs/dbraw/zinc/66/33/97/344663397.db2.gz VEUDPDSFKUMOMS-BDAKNGLRSA-N 0 3 180.251 1.953 20 0 ADADHN C/C(=C\Cl)COC1CNC1 232006935 344669635 /nfs/dbraw/zinc/66/96/35/344669635.db2.gz FEJVYKQHUKMJSQ-QHHAFSJGSA-N 0 3 161.632 1.117 20 0 ADADHN C[C@@H]1CC[C@@H](CN2CCC[C@@H](O)C2)O1 232030573 344670117 /nfs/dbraw/zinc/67/01/17/344670117.db2.gz RPFPIWNENJAAKZ-MXWKQRLJSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CC[C@H](CN2CCC(O)CC2)O1 232030609 344670130 /nfs/dbraw/zinc/67/01/30/344670130.db2.gz GZTDAYWQPLZAOW-GXSJLCMTSA-N 0 3 199.294 1.011 20 0 ADADHN CC1(C)C[C@H]1CNC(=O)C1(N)CCC1 232809913 344692400 /nfs/dbraw/zinc/69/24/00/344692400.db2.gz ALDHQPVOLJNJAA-QMMMGPOBSA-N 0 3 196.294 1.030 20 0 ADADHN CC1(C)C[C@@H]1CNC(=O)C1(N)CCC1 232872954 344696197 /nfs/dbraw/zinc/69/61/97/344696197.db2.gz ALDHQPVOLJNJAA-MRVPVSSYSA-N 0 3 196.294 1.030 20 0 ADADHN CC[C@@H]1CN(C[C@H](C)O)CCS1 233914229 344706640 /nfs/dbraw/zinc/70/66/40/344706640.db2.gz XYPCKLLJIGCHFH-DTWKUNHWSA-N 0 3 189.324 1.195 20 0 ADADHN CC[C@H]1CN(C[C@H](C)O)CCS1 234204481 344714925 /nfs/dbraw/zinc/71/49/25/344714925.db2.gz XYPCKLLJIGCHFH-IUCAKERBSA-N 0 3 189.324 1.195 20 0 ADADHN CNCC(=O)N[C@H]1CCC[C@H](C)CC1 234344100 344718138 /nfs/dbraw/zinc/71/81/38/344718138.db2.gz XIOOTDCUVGSHDG-UWVGGRQHSA-N 0 3 198.310 1.291 20 0 ADADHN CNCC(=O)N[C@H]1CCC[C@@H](C)CC1 234376682 344719367 /nfs/dbraw/zinc/71/93/67/344719367.db2.gz XIOOTDCUVGSHDG-ZJUUUORDSA-N 0 3 198.310 1.291 20 0 ADADHN CNc1ccccc1CNC1CC1 234478559 344721369 /nfs/dbraw/zinc/72/13/69/344721369.db2.gz QUHFSXRVVMJAFX-UHFFFAOYSA-N 0 3 176.263 1.980 20 0 ADADHN CSCCN[C@@H](C)c1ccnn1C 235049851 344731901 /nfs/dbraw/zinc/73/19/01/344731901.db2.gz DVQBQYFUYGDCKN-QMMMGPOBSA-N 0 3 199.323 1.434 20 0 ADADHN CSCCN[C@H](C)c1ccnn1C 235053403 344732104 /nfs/dbraw/zinc/73/21/04/344732104.db2.gz DVQBQYFUYGDCKN-MRVPVSSYSA-N 0 3 199.323 1.434 20 0 ADADHN C=Cn1cc(CNCCSC)cn1 235046832 344732110 /nfs/dbraw/zinc/73/21/10/344732110.db2.gz FHPLKRIFVPYYDX-UHFFFAOYSA-N 0 3 197.307 1.436 20 0 ADADHN CSC1(CNCCF)CCC1 235110011 344733509 /nfs/dbraw/zinc/73/35/09/344733509.db2.gz YBKQPNNSQVEPCH-UHFFFAOYSA-N 0 3 177.288 1.831 20 0 ADADHN C[C@@H](N)c1cn(C(C)(C)C)nn1 235189237 344734952 /nfs/dbraw/zinc/73/49/52/344734952.db2.gz LJBJRRDVSACPAY-ZCFIWIBFSA-N 0 3 168.244 1.053 20 0 ADADHN C[C@@H](NC1CC1)c1ccnn1C 235178855 344735055 /nfs/dbraw/zinc/73/50/55/344735055.db2.gz WXHIVBLJCJJJFT-SSDOTTSWSA-N 0 3 165.240 1.233 20 0 ADADHN C[C@@H](NC1CCC1)c1ccnn1C 235184391 344735159 /nfs/dbraw/zinc/73/51/59/344735159.db2.gz DMOLBJDQRJCIIR-MRVPVSSYSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H]1CCC[C@H](NC(=O)CN)CC1 235258384 344738124 /nfs/dbraw/zinc/73/81/24/344738124.db2.gz SMVMUIIBEOWESE-BDAKNGLRSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@@H]1C[C@@H](NCCF)CCO1 235284895 344740388 /nfs/dbraw/zinc/74/03/88/344740388.db2.gz KISLKIPPVZTECN-SFYZADRCSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@@H]1CCC[C@@H](NC(=O)CN)CC1 235280012 344740562 /nfs/dbraw/zinc/74/05/62/344740562.db2.gz SMVMUIIBEOWESE-RKDXNWHRSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@@H]1C[C@H](NCCF)CCO1 235309099 344742841 /nfs/dbraw/zinc/74/28/41/344742841.db2.gz KISLKIPPVZTECN-HTQZYQBOSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@@H]1CCC[C@H](c2ccn(C)n2)N1 235327338 344743071 /nfs/dbraw/zinc/74/30/71/344743071.db2.gz ILDAHGLXCRPGJI-RKDXNWHRSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H]1CCC[C@H](c2cnnn2C)N1 235327734 344744048 /nfs/dbraw/zinc/74/40/48/344744048.db2.gz VDVWNAOTJVZDND-HTQZYQBOSA-N 0 3 180.255 1.018 20 0 ADADHN C[C@@H]1OCC[C@H]1NC/C=C/Cl 235340149 344744419 /nfs/dbraw/zinc/74/44/19/344744419.db2.gz JRJWRXCLZOZDAJ-IOEWOSKSSA-N 0 3 175.659 1.506 20 0 ADADHN C[C@@H]1OCC[C@@H]1NC/C=C/Cl 235344939 344745145 /nfs/dbraw/zinc/74/51/45/344745145.db2.gz JRJWRXCLZOZDAJ-POSAZWSLSA-N 0 3 175.659 1.506 20 0 ADADHN C[C@@H]1CNc2nc3c(n2C1)CCCC3 235364388 344746350 /nfs/dbraw/zinc/74/63/50/344746350.db2.gz OECHKJRBNAHFPR-MRVPVSSYSA-N 0 3 191.278 1.824 20 0 ADADHN C[C@H](N)c1cn(C(C)(C)C)nn1 235484407 344751640 /nfs/dbraw/zinc/75/16/40/344751640.db2.gz LJBJRRDVSACPAY-LURJTMIESA-N 0 3 168.244 1.053 20 0 ADADHN C[C@H](NC1CCC1)c1ccnn1C 235497104 344752132 /nfs/dbraw/zinc/75/21/32/344752132.db2.gz DMOLBJDQRJCIIR-QMMMGPOBSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@H]1CCC[C@@H](NC(=O)CN)CC1 235551405 344754285 /nfs/dbraw/zinc/75/42/85/344754285.db2.gz SMVMUIIBEOWESE-DTWKUNHWSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@H]1CCC[C@H](NC(=O)CN)CC1 235577771 344756890 /nfs/dbraw/zinc/75/68/90/344756890.db2.gz SMVMUIIBEOWESE-IUCAKERBSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@H]1C[C@@H](NCCF)CCO1 235594390 344758343 /nfs/dbraw/zinc/75/83/43/344758343.db2.gz KISLKIPPVZTECN-YUMQZZPRSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@H]1CCC[C@@H](c2ccn(C)n2)N1 235617433 344759588 /nfs/dbraw/zinc/75/95/88/344759588.db2.gz ILDAHGLXCRPGJI-IUCAKERBSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@H]1C[C@H](NCCF)CCO1 235615059 344759764 /nfs/dbraw/zinc/75/97/64/344759764.db2.gz KISLKIPPVZTECN-JGVFFNPUSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@H]1CCC[C@@H](c2cnnn2C)N1 235617723 344759771 /nfs/dbraw/zinc/75/97/71/344759771.db2.gz VDVWNAOTJVZDND-YUMQZZPRSA-N 0 3 180.255 1.018 20 0 ADADHN C[C@H]1CCC[C@H](c2cnnn2C)N1 235621342 344760155 /nfs/dbraw/zinc/76/01/55/344760155.db2.gz VDVWNAOTJVZDND-JGVFFNPUSA-N 0 3 180.255 1.018 20 0 ADADHN C[C@H]1CCC[C@H](c2ccn(C)n2)N1 235621091 344760276 /nfs/dbraw/zinc/76/02/76/344760276.db2.gz ILDAHGLXCRPGJI-DTWKUNHWSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@H]1CNc2nc3c(n2C1)CCCC3 235706984 344764092 /nfs/dbraw/zinc/76/40/92/344764092.db2.gz OECHKJRBNAHFPR-QMMMGPOBSA-N 0 3 191.278 1.824 20 0 ADADHN Cc1cnccc1CNC1CC1 235805997 344767534 /nfs/dbraw/zinc/76/75/34/344767534.db2.gz FMKRURZKOUDQFE-UHFFFAOYSA-N 0 3 162.236 1.642 20 0 ADADHN Cl/C=C/CN[C@H]1CCSC1 236015533 344771401 /nfs/dbraw/zinc/77/14/01/344771401.db2.gz DZIWPMCHDWJAEK-RMKMGNDCSA-N 0 3 177.700 1.834 20 0 ADADHN Cl/C=C/CN[C@@H]1CCSC1 236015134 344771411 /nfs/dbraw/zinc/77/14/11/344771411.db2.gz DZIWPMCHDWJAEK-RCYFRSRISA-N 0 3 177.700 1.834 20 0 ADADHN Cl/C=C/CN[C@@H]1CCOC1 236015069 344771432 /nfs/dbraw/zinc/77/14/32/344771432.db2.gz YWIYHXZXKCYCOL-RCYFRSRISA-N 0 3 161.632 1.117 20 0 ADADHN FCCNC1Cc2ccccc2C1 236174449 344776406 /nfs/dbraw/zinc/77/64/06/344776406.db2.gz OBHYPGGIQOQRFC-UHFFFAOYSA-N 0 3 179.238 1.713 20 0 ADADHN CC(=O)CN1CC2CCC1CC2 238108589 344793113 /nfs/dbraw/zinc/79/31/13/344793113.db2.gz UYGODDVIZDHHMY-UHFFFAOYSA-N 0 3 167.252 1.450 20 0 ADADHN CC(C)(C)c1cccnc1CN 238128008 344793582 /nfs/dbraw/zinc/79/35/82/344793582.db2.gz GGKPYUOAMFEYCY-UHFFFAOYSA-N 0 3 164.252 1.838 20 0 ADADHN CC(=O)Nc1cccc2c1CNC2 238122851 344793619 /nfs/dbraw/zinc/79/36/19/344793619.db2.gz RCZYUIRZYPGFLR-UHFFFAOYSA-N 0 3 176.219 1.248 20 0 ADADHN CCNCc1ccc2c(n1)CCC2 238274430 344798615 /nfs/dbraw/zinc/79/86/15/344798615.db2.gz ZFADKFLJUZJIHQ-UHFFFAOYSA-N 0 3 176.263 1.680 20 0 ADADHN COc1cc([C@H](N)CF)ccc1O 238424881 344806031 /nfs/dbraw/zinc/80/60/31/344806031.db2.gz ZEBWIMOSFJWLJW-SSDOTTSWSA-N 0 3 185.198 1.370 20 0 ADADHN C[C@@H]1c2ccccc2CCN1CCO 238462812 344807810 /nfs/dbraw/zinc/80/78/10/344807810.db2.gz ORBCCOIHUSGRJA-SNVBAGLBSA-N 0 3 191.274 1.598 20 0 ADADHN Cc1ccc(F)c(F)c1CN 238490180 344809112 /nfs/dbraw/zinc/80/91/12/344809112.db2.gz JLKPDTGXLPVZAK-UHFFFAOYSA-N 0 3 157.163 1.732 20 0 ADADHN Cc1cc([C@@H](N)CF)ccc1O 238512180 344810010 /nfs/dbraw/zinc/81/00/10/344810010.db2.gz CRIJYYNCUSZGJO-QMMMGPOBSA-N 0 3 169.199 1.670 20 0 ADADHN Cc1cc(F)c(CN)c(F)c1 238524553 344810878 /nfs/dbraw/zinc/81/08/78/344810878.db2.gz JXZDZCDZDKZOAW-UHFFFAOYSA-N 0 3 157.163 1.732 20 0 ADADHN N[C@@H](CF)c1ccc2c(c1)CCO2 238575559 344813735 /nfs/dbraw/zinc/81/37/35/344813735.db2.gz PFPCYIQSNJFKNM-VIFPVBQESA-N 0 3 181.210 1.591 20 0 ADADHN CO[C@@H]1CCN(Cc2ccsc2)C1 238847091 344823196 /nfs/dbraw/zinc/82/31/96/344823196.db2.gz IOJCZOJSODWQOX-SNVBAGLBSA-N 0 3 197.303 1.969 20 0 ADADHN CO[C@H]1CCN(Cc2cccs2)C1 238827361 344823217 /nfs/dbraw/zinc/82/32/17/344823217.db2.gz FBOQBSPNZSNDSW-VIFPVBQESA-N 0 3 197.303 1.969 20 0 ADADHN CO[C@@H]1CCN(Cc2ccccn2)C1 238845312 344823221 /nfs/dbraw/zinc/82/32/21/344823221.db2.gz IEDWBGIBRBHGKB-LLVKDONJSA-N 0 3 192.262 1.302 20 0 ADADHN CO[C@H]1CCN(Cc2ccccn2)C1 238845313 344823234 /nfs/dbraw/zinc/82/32/34/344823234.db2.gz IEDWBGIBRBHGKB-NSHDSACASA-N 0 3 192.262 1.302 20 0 ADADHN CO[C@@H]1CCN(Cc2cccs2)C1 238827360 344823253 /nfs/dbraw/zinc/82/32/53/344823253.db2.gz FBOQBSPNZSNDSW-SECBINFHSA-N 0 3 197.303 1.969 20 0 ADADHN CO[C@H]1CCN(Cc2ccsc2)C1 238847090 344823260 /nfs/dbraw/zinc/82/32/60/344823260.db2.gz IOJCZOJSODWQOX-JTQLQIEISA-N 0 3 197.303 1.969 20 0 ADADHN CCCCN(C)CC(=O)NC(C)C 244547129 344826038 /nfs/dbraw/zinc/82/60/38/344826038.db2.gz ZZTJJDLSNDSEQL-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CCCNC(=O)CN1CCC[C@@H](C)C1 244431646 344826128 /nfs/dbraw/zinc/82/61/28/344826128.db2.gz YYGLGMZWKBVAPY-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CCN1CC[C@@H](N)[C@H]1c1ccco1 250226957 344831239 /nfs/dbraw/zinc/83/12/39/344831239.db2.gz FPIHBFXUMDVSOM-SCZZXKLOSA-N 0 3 180.251 1.374 20 0 ADADHN CCOC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C 250674407 344839181 /nfs/dbraw/zinc/83/91/81/344839181.db2.gz OQCHFNSEQRFDPC-BBBLOLIVSA-N 0 3 199.294 1.811 20 0 ADADHN CC[C@H](O)CN1CCSC[C@H]1C 251038937 344844659 /nfs/dbraw/zinc/84/46/59/344844659.db2.gz BYOJBVJZJJZUSS-BDAKNGLRSA-N 0 3 189.324 1.195 20 0 ADADHN CCOC(=O)[C@H](CC)N1CCC[C@H]1C 251202645 344848947 /nfs/dbraw/zinc/84/89/47/344848947.db2.gz CEVBBSNUENKCIE-ZJUUUORDSA-N 0 3 199.294 1.812 20 0 ADADHN CCOC(=O)[C@@H](CC)N1CCC[C@H]1C 251202640 344848992 /nfs/dbraw/zinc/84/89/92/344848992.db2.gz CEVBBSNUENKCIE-NXEZZACHSA-N 0 3 199.294 1.812 20 0 ADADHN CC[C@](C)(N)C(=O)N[C@H]1CCC[C@H]1C 251362486 344852805 /nfs/dbraw/zinc/85/28/05/344852805.db2.gz XCNGTLFVZAGZAG-YWVKMMECSA-N 0 3 198.310 1.419 20 0 ADADHN COC(=O)[C@H](C)N1C[C@@H]2CCC[C@H]2C1 251530532 344856457 /nfs/dbraw/zinc/85/64/57/344856457.db2.gz FEYGVZVWGQEURG-GUBZILKMSA-N 0 3 197.278 1.280 20 0 ADADHN CC[C@@H]1CCCN([C@H](C)C(N)=O)CC1 251673779 344864935 /nfs/dbraw/zinc/86/49/35/344864935.db2.gz HOYHBOYXNXJNOA-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CNCC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 251702372 344867162 /nfs/dbraw/zinc/86/71/62/344867162.db2.gz BHJKWWFSVWFQFH-MYJAWHEDSA-N 0 3 198.310 1.147 20 0 ADADHN CC[C@H]1CCCN([C@H](CC)C(N)=O)C1 251766370 344871822 /nfs/dbraw/zinc/87/18/22/344871822.db2.gz MEYYAANKJMLEHS-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C)N1CCN2CCCC[C@H]2C1 251798112 344874071 /nfs/dbraw/zinc/87/40/71/344874071.db2.gz KIFCYUYVKHSBRP-RYUDHWBXSA-N 0 3 196.338 1.955 20 0 ADADHN C[C@@H]1CC[C@@H](OC2CNC2)C[C@H]1C 251856916 344877309 /nfs/dbraw/zinc/87/73/09/344877309.db2.gz PNDQZMNHVBJWGT-OPRDCNLKSA-N 0 3 183.295 1.800 20 0 ADADHN C[C@@H]1CC[C@H](OC2CNC2)C[C@H]1C 251856914 344877394 /nfs/dbraw/zinc/87/73/94/344877394.db2.gz PNDQZMNHVBJWGT-BBBLOLIVSA-N 0 3 183.295 1.800 20 0 ADADHN CC[C@H](C)CN1CCC[C@H]1C(=O)OC 252019267 344883180 /nfs/dbraw/zinc/88/31/80/344883180.db2.gz XBWGJDWLWFCZBK-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN CC[C@@H](C)CN(C)[C@H](CC)C(N)=O 252019729 344883219 /nfs/dbraw/zinc/88/32/19/344883219.db2.gz XEMCDAIASFYFCB-RKDXNWHRSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H](C)CN(C)[C@H](CC)C(N)=O 252019728 344883455 /nfs/dbraw/zinc/88/34/55/344883455.db2.gz XEMCDAIASFYFCB-DTWKUNHWSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)CN1CCC[C@H]1C(=O)OC 252019268 344883538 /nfs/dbraw/zinc/88/35/38/344883538.db2.gz XBWGJDWLWFCZBK-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@H](C)N)C1 252212321 344892937 /nfs/dbraw/zinc/89/29/37/344892937.db2.gz YKPNRIJVJNTGIH-QCLAVDOMSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@@H](C)N)C1 252212323 344892976 /nfs/dbraw/zinc/89/29/76/344892976.db2.gz YKPNRIJVJNTGIH-RGOKHQFPSA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C 252660832 344906723 /nfs/dbraw/zinc/90/67/23/344906723.db2.gz BBLLUEPIMFDFKH-IVZWLZJFSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C 252660834 344906894 /nfs/dbraw/zinc/90/68/94/344906894.db2.gz BBLLUEPIMFDFKH-LPEHRKFASA-N 0 3 198.310 1.241 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CC[C@H](C)CC1 252711470 344909564 /nfs/dbraw/zinc/90/95/64/344909564.db2.gz JPXIPKRJGQXLAB-CIUDSAMLSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CC[C@H](C)CC1 252713252 344909572 /nfs/dbraw/zinc/90/95/72/344909572.db2.gz OROGBYQLVKQINS-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](N)C(=O)N[C@H]1CC[C@H](C)CC1 252711471 344909677 /nfs/dbraw/zinc/90/96/77/344909677.db2.gz JPXIPKRJGQXLAB-IWSPIJDZSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CC[C@H](C)CC1 252713251 344909727 /nfs/dbraw/zinc/90/97/27/344909727.db2.gz OROGBYQLVKQINS-GUBZILKMSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](N[C@@H]1CCC[C@H]1O)c1ccoc1 252730579 344911152 /nfs/dbraw/zinc/91/11/52/344911152.db2.gz LZULDDJIAFNXGW-JMJZKYOTSA-N 0 3 195.262 1.844 20 0 ADADHN CCN1CC[C@H](N)[C@H]1c1cncs1 252773667 344913027 /nfs/dbraw/zinc/91/30/27/344913027.db2.gz WCMHVCZYQFKCLP-CBAPKCEASA-N 0 3 197.307 1.237 20 0 ADADHN CCN1CC[C@@H](N)[C@H]1c1cscn1 252909989 344918625 /nfs/dbraw/zinc/91/86/25/344918625.db2.gz BOXPIJDIBJGTIP-APPZFPTMSA-N 0 3 197.307 1.237 20 0 ADADHN CCN1CC[C@H](N)[C@H]1c1cscn1 252909990 344918790 /nfs/dbraw/zinc/91/87/90/344918790.db2.gz BOXPIJDIBJGTIP-CBAPKCEASA-N 0 3 197.307 1.237 20 0 ADADHN CN(C)c1nc(Cl)c(CN)s1 258422103 344944385 /nfs/dbraw/zinc/94/43/85/344944385.db2.gz CTXIEZZVVOESOR-UHFFFAOYSA-N 0 3 191.687 1.321 20 0 ADADHN COC(=O)C(C)(C)N(C)C1CCCC1 258757841 344945512 /nfs/dbraw/zinc/94/55/12/344945512.db2.gz JIRKHGZDDXQWDG-UHFFFAOYSA-N 0 3 199.294 1.812 20 0 ADADHN COC(=O)C(C)(C)N(C)CC(C)C 258886151 344946457 /nfs/dbraw/zinc/94/64/57/344946457.db2.gz WECLRINNKVAVSR-UHFFFAOYSA-N 0 3 187.283 1.526 20 0 ADADHN CN(CCC1CCCCC1)CC(N)=O 259024684 344946995 /nfs/dbraw/zinc/94/69/95/344946995.db2.gz HMHFIJWDOJLUBW-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CCCN1CCCCC[C@@H]1C(=O)OC 260105056 344952271 /nfs/dbraw/zinc/95/22/71/344952271.db2.gz QEVZIMBPYVDTTD-SNVBAGLBSA-N 0 3 199.294 1.814 20 0 ADADHN CCCN1CCCCC[C@H]1C(=O)OC 260105053 344952523 /nfs/dbraw/zinc/95/25/23/344952523.db2.gz QEVZIMBPYVDTTD-JTQLQIEISA-N 0 3 199.294 1.814 20 0 ADADHN COC(=O)C1CN(C2CCCCC2)C1 260971418 344954588 /nfs/dbraw/zinc/95/45/88/344954588.db2.gz KXTNZPVWRZBQOY-UHFFFAOYSA-N 0 3 197.278 1.424 20 0 ADADHN CCOC(=O)c1c(C)cccc1CN 261318383 344955990 /nfs/dbraw/zinc/95/59/90/344955990.db2.gz FQHBLDPDYCMFCJ-UHFFFAOYSA-N 0 3 193.246 1.630 20 0 ADADHN COC(=O)c1c(C)cccc1CN 261332786 344956073 /nfs/dbraw/zinc/95/60/73/344956073.db2.gz WPOIBUZJQPNXSD-UHFFFAOYSA-N 0 3 179.219 1.240 20 0 ADADHN CCC[C@](C)(N)C(=O)N[C@@H]1C[C@H]1CC 300358168 344976815 /nfs/dbraw/zinc/97/68/15/344976815.db2.gz CIDRAHVCRPAUQO-KKZNHRDASA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1C[C@H]1CC 300359519 344976819 /nfs/dbraw/zinc/97/68/19/344976819.db2.gz PNGUHJUYAAKWMW-KYXWUPHJSA-N 0 3 198.310 1.275 20 0 ADADHN CCCn1cc([C@@H](N)C(C)C)nn1 300824503 345002232 /nfs/dbraw/zinc/00/22/32/345002232.db2.gz GOUUACWRFRSKBP-VIFPVBQESA-N 0 3 182.271 1.344 20 0 ADADHN CCCn1cc([C@H](N)C(C)C)nn1 300824499 345002457 /nfs/dbraw/zinc/00/24/57/345002457.db2.gz GOUUACWRFRSKBP-SECBINFHSA-N 0 3 182.271 1.344 20 0 ADADHN CC[C@@H](C)n1cc([C@H](N)C(C)C)nn1 300901735 345010672 /nfs/dbraw/zinc/01/06/72/345010672.db2.gz LATJUMVXKBQPMZ-PSASIEDQSA-N 0 3 196.298 1.905 20 0 ADADHN CC[C@@H](C)n1cc([C@@H](N)C(C)C)nn1 300902511 345011313 /nfs/dbraw/zinc/01/13/13/345011313.db2.gz LATJUMVXKBQPMZ-SCZZXKLOSA-N 0 3 196.298 1.905 20 0 ADADHN CC[C@H](C)n1cc([C@H](N)C(C)C)nn1 300902513 345011364 /nfs/dbraw/zinc/01/13/64/345011364.db2.gz LATJUMVXKBQPMZ-WCBMZHEXSA-N 0 3 196.298 1.905 20 0 ADADHN CC(C)C[C@@H](C)CN1CC(C)(O)C1 301014343 345026555 /nfs/dbraw/zinc/02/65/55/345026555.db2.gz ZIHBPNOSVVCIBC-SNVBAGLBSA-N 0 3 185.311 1.735 20 0 ADADHN CCCCN1CCc2n[nH]cc2C1 306150123 345038946 /nfs/dbraw/zinc/03/89/46/345038946.db2.gz FERHYXHDSKYWJV-UHFFFAOYSA-N 0 3 179.267 1.568 20 0 ADADHN C[C@H]1CN(CC2CCC2)C[C@@H](C)O1 306150241 345039684 /nfs/dbraw/zinc/03/96/84/345039684.db2.gz CLKOKWJEOICPKD-AOOOYVTPSA-N 0 3 183.295 1.896 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@@H](C)C1 306151709 345041433 /nfs/dbraw/zinc/04/14/33/345041433.db2.gz DCRAVGWHLJDERO-MRVPVSSYSA-N 0 3 179.267 1.560 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@H](C)C1 306151712 345041471 /nfs/dbraw/zinc/04/14/71/345041471.db2.gz DCRAVGWHLJDERO-QMMMGPOBSA-N 0 3 179.267 1.560 20 0 ADADHN CC[C@H](C)N1CCC[C@@](F)(CO)C1 306162629 345053644 /nfs/dbraw/zinc/05/36/44/345053644.db2.gz HACNVERJILQXIY-UWVGGRQHSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@H](C)N1CCC[C@](F)(CO)C1 306162630 345053663 /nfs/dbraw/zinc/05/36/63/345053663.db2.gz HACNVERJILQXIY-VHSXEESVSA-N 0 3 189.274 1.581 20 0 ADADHN CCCN[C@@H]1CCn2ccnc21 306172312 345063973 /nfs/dbraw/zinc/06/39/73/345063973.db2.gz AZZJFZGEFCBTFV-MRVPVSSYSA-N 0 3 165.240 1.328 20 0 ADADHN CNC(=O)[C@H](C)N[C@H]1CCC12CCC2 306175016 345065998 /nfs/dbraw/zinc/06/59/98/345065998.db2.gz MQNCQOZCLYXJNO-IUCAKERBSA-N 0 3 196.294 1.043 20 0 ADADHN CC[C@H](C)N1CC[C@@](F)(CO)C1 306177904 345068282 /nfs/dbraw/zinc/06/82/82/345068282.db2.gz XUWROWJSRWDZJS-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](C)N1CC[C@](F)(CO)C1 306177903 345068389 /nfs/dbraw/zinc/06/83/89/345068389.db2.gz XUWROWJSRWDZJS-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CC[C@@H](C)C1 306180565 345071905 /nfs/dbraw/zinc/07/19/05/345071905.db2.gz SAYSJSARNHCYHP-PSASIEDQSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CC[C@@H](C)C1 306180566 345071942 /nfs/dbraw/zinc/07/19/42/345071942.db2.gz SAYSJSARNHCYHP-SCZZXKLOSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CC[C@H](C)C1 306180567 345072023 /nfs/dbraw/zinc/07/20/23/345072023.db2.gz SAYSJSARNHCYHP-WCBMZHEXSA-N 0 3 193.294 1.996 20 0 ADADHN C[C@H](c1cnccn1)N1CCCC1 306183980 345075197 /nfs/dbraw/zinc/07/51/97/345075197.db2.gz BXZUICZMOPCAPV-SECBINFHSA-N 0 3 177.251 1.633 20 0 ADADHN C[C@](O)(CN1CCCC1)C(F)(F)F 306186059 345076731 /nfs/dbraw/zinc/07/67/31/345076731.db2.gz IZTBOMPYMGRFKW-ZETCQYMHSA-N 0 3 197.200 1.396 20 0 ADADHN C[C@H](N)C(=O)N1CCC[C@@H]1C(C)(C)C 306188051 345078353 /nfs/dbraw/zinc/07/83/53/345078353.db2.gz MSELJXIRZUOPML-DTWKUNHWSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](O)CN1CC[C@@](C)(F)C1 306187783 345078411 /nfs/dbraw/zinc/07/84/11/345078411.db2.gz NWGONEGAHGYXNL-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H](O)CN1CC[C@](C)(F)C1 306187782 345078419 /nfs/dbraw/zinc/07/84/19/345078419.db2.gz NWGONEGAHGYXNL-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN C[C@H](N)C(=O)N1CCC[C@H]1C(C)(C)C 306188052 345078543 /nfs/dbraw/zinc/07/85/43/345078543.db2.gz MSELJXIRZUOPML-IUCAKERBSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](O)CN1CC[C@@](C)(F)C1 306187785 345078592 /nfs/dbraw/zinc/07/85/92/345078592.db2.gz NWGONEGAHGYXNL-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN Cc1ncc(CN[C@H]2CC2(C)C)cn1 306189575 345079540 /nfs/dbraw/zinc/07/95/40/345079540.db2.gz DHQQCRSKWRWXOZ-JTQLQIEISA-N 0 3 191.278 1.673 20 0 ADADHN Cc1ncc(CN[C@@H]2CC2(C)C)cn1 306189576 345079625 /nfs/dbraw/zinc/07/96/25/345079625.db2.gz DHQQCRSKWRWXOZ-SNVBAGLBSA-N 0 3 191.278 1.673 20 0 ADADHN CCc1cc(N2CC[C@H](O)C2)ccn1 306190162 345080043 /nfs/dbraw/zinc/08/00/43/345080043.db2.gz DSTBJLLJDXWASO-NSHDSACASA-N 0 3 192.262 1.215 20 0 ADADHN C[C@@]1(F)CCN(C[C@@H]2CCCO2)C1 306204590 345093648 /nfs/dbraw/zinc/09/36/48/345093648.db2.gz DVHHTLNBMBQDLH-VHSXEESVSA-N 0 3 187.258 1.599 20 0 ADADHN C[C@@]1(F)CCN(C[C@H]2CCCO2)C1 306204585 345093741 /nfs/dbraw/zinc/09/37/41/345093741.db2.gz DVHHTLNBMBQDLH-NXEZZACHSA-N 0 3 187.258 1.599 20 0 ADADHN C[C@]1(F)CCN(C[C@@H]2CCCO2)C1 306204588 345093857 /nfs/dbraw/zinc/09/38/57/345093857.db2.gz DVHHTLNBMBQDLH-UWVGGRQHSA-N 0 3 187.258 1.599 20 0 ADADHN C[C@]1(F)CCN(C[C@H]2CCCO2)C1 306204592 345093890 /nfs/dbraw/zinc/09/38/90/345093890.db2.gz DVHHTLNBMBQDLH-ZJUUUORDSA-N 0 3 187.258 1.599 20 0 ADADHN C[C@H]1C[C@@H](O)CN1Cc1ccco1 306210287 345099905 /nfs/dbraw/zinc/09/99/05/345099905.db2.gz GNHNXFTVWIRFHY-DTWKUNHWSA-N 0 3 181.235 1.235 20 0 ADADHN C[C@H]1C[C@H](O)CN1Cc1ccco1 306210290 345100081 /nfs/dbraw/zinc/10/00/81/345100081.db2.gz GNHNXFTVWIRFHY-IUCAKERBSA-N 0 3 181.235 1.235 20 0 ADADHN C[C@H]1CCCN1Cc1c[nH]cn1 306214185 345104817 /nfs/dbraw/zinc/10/48/17/345104817.db2.gz WPWUQKYJGVBBPB-QMMMGPOBSA-N 0 3 165.240 1.394 20 0 ADADHN CC1(C)OCC[C@H]1NCc1ccoc1 306220308 345112997 /nfs/dbraw/zinc/11/29/97/345112997.db2.gz HOOKRZOUFWJKTL-SNVBAGLBSA-N 0 3 195.262 1.937 20 0 ADADHN CC[C@@H]1CCCN1CCF 306224989 345118294 /nfs/dbraw/zinc/11/82/94/345118294.db2.gz LIYFIVPPXRTHRV-MRVPVSSYSA-N 0 3 145.221 1.830 20 0 ADADHN C[C@H]1CCCN(Cc2c[nH]nn2)C1 306225290 345119068 /nfs/dbraw/zinc/11/90/68/345119068.db2.gz FCHZKYSSECKZDP-QMMMGPOBSA-N 0 3 180.255 1.037 20 0 ADADHN c1nc(CN2C3CCC2CC3)c[nH]1 306226045 345119625 /nfs/dbraw/zinc/11/96/25/345119625.db2.gz VMBPGMSNZWVPOB-UHFFFAOYSA-N 0 3 177.251 1.537 20 0 ADADHN c1ncc(CN2C3CCC2CC3)[nH]1 306226045 345119626 /nfs/dbraw/zinc/11/96/26/345119626.db2.gz VMBPGMSNZWVPOB-UHFFFAOYSA-N 0 3 177.251 1.537 20 0 ADADHN Nc1ccncc1OCC1CC1 306227415 345120522 /nfs/dbraw/zinc/12/05/22/345120522.db2.gz HBGCTYJZGIBADR-UHFFFAOYSA-N 0 3 164.208 1.453 20 0 ADADHN CCN1CC(C)(C)OCC1(C)C 306230893 345124084 /nfs/dbraw/zinc/12/40/84/345124084.db2.gz BAHPDYRTINSRMG-UHFFFAOYSA-N 0 3 171.284 1.896 20 0 ADADHN Cc1cc(CN2CC[C@@H](O)C2)cs1 306231175 345124533 /nfs/dbraw/zinc/12/45/33/345124533.db2.gz JQOJHCJSYFBUAT-SNVBAGLBSA-N 0 3 197.303 1.623 20 0 ADADHN C[C@H](N)C(=O)CC1(C)CCC1 306231168 345124706 /nfs/dbraw/zinc/12/47/06/345124706.db2.gz BUWUQALAOQXSHQ-ZETCQYMHSA-N 0 3 155.241 1.483 20 0 ADADHN C[C@@H](N)C(=O)CC1(C)CCC1 306231158 345124847 /nfs/dbraw/zinc/12/48/47/345124847.db2.gz BUWUQALAOQXSHQ-SSDOTTSWSA-N 0 3 155.241 1.483 20 0 ADADHN Cc1ncc(CNC2CCC2)cn1 306233803 345127187 /nfs/dbraw/zinc/12/71/87/345127187.db2.gz FIKQTJXMLVOAEN-UHFFFAOYSA-N 0 3 177.251 1.427 20 0 ADADHN c1nc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 306237344 345130377 /nfs/dbraw/zinc/13/03/77/345130377.db2.gz LUBFRHALBHRQFW-HRDYMLBCSA-N 0 3 192.266 1.083 20 0 ADADHN Cc1n[nH]cc1CNC1CC(C)(C)C1 306238204 345131087 /nfs/dbraw/zinc/13/10/87/345131087.db2.gz MCTNEVWYULBDRQ-UHFFFAOYSA-N 0 3 193.294 1.996 20 0 ADADHN CN(Cc1cccs1)C1CC(O)C1 306240486 345133077 /nfs/dbraw/zinc/13/30/77/345133077.db2.gz RSWZVVPPCCMUHW-UHFFFAOYSA-N 0 3 197.303 1.703 20 0 ADADHN CCCN1C[C@H](C2CC2)O[C@H](C)C1 306242707 345134739 /nfs/dbraw/zinc/13/47/39/345134739.db2.gz SLFCKERETVRZBW-MWLCHTKSSA-N 0 3 183.295 1.896 20 0 ADADHN CCCN1C[C@H](C)O[C@H](C2CC2)C1 306242708 345135040 /nfs/dbraw/zinc/13/50/40/345135040.db2.gz SLFCKERETVRZBW-ONGXEEELSA-N 0 3 183.295 1.896 20 0 ADADHN Cc1cnn(C)c1CN1CCCC1 306243092 345135066 /nfs/dbraw/zinc/13/50/66/345135066.db2.gz AIGZFCBMGLDDMU-UHFFFAOYSA-N 0 3 179.267 1.324 20 0 ADADHN CCCN1C[C@@H](C)O[C@H](C2CC2)C1 306242706 345135079 /nfs/dbraw/zinc/13/50/79/345135079.db2.gz SLFCKERETVRZBW-KOLCDFICSA-N 0 3 183.295 1.896 20 0 ADADHN CN(Cc1cnc[nH]1)[C@@H]1CCSC1 306247947 345139672 /nfs/dbraw/zinc/13/96/72/345139672.db2.gz XZVCRTCHHQTWBB-SECBINFHSA-N 0 3 197.307 1.347 20 0 ADADHN CN(Cc1cnc[nH]1)[C@H]1CCSC1 306247948 345139726 /nfs/dbraw/zinc/13/97/26/345139726.db2.gz XZVCRTCHHQTWBB-VIFPVBQESA-N 0 3 197.307 1.347 20 0 ADADHN Cc1cncc(CN(C)C2CC2)c1 306248254 345140241 /nfs/dbraw/zinc/14/02/41/345140241.db2.gz PZURGICXEJURQB-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN Cc1cn[nH]c1CN[C@H]1CCC[C@H]1F 306248798 345140995 /nfs/dbraw/zinc/14/09/95/345140995.db2.gz ZHVJOFICCSCSBV-BDAKNGLRSA-N 0 3 197.257 1.698 20 0 ADADHN CCC1(C)CN(C[C@H](C)O)C1 306250161 345141876 /nfs/dbraw/zinc/14/18/76/345141876.db2.gz PEXHSEWSRTVYQW-QMMMGPOBSA-N 0 3 157.257 1.099 20 0 ADADHN CCC1(C)CN(C[C@@H](C)O)C1 306250160 345142119 /nfs/dbraw/zinc/14/21/19/345142119.db2.gz PEXHSEWSRTVYQW-MRVPVSSYSA-N 0 3 157.257 1.099 20 0 ADADHN C[C@H](C(=O)NC(C)(C)C)N1CCCC1 306250979 345142379 /nfs/dbraw/zinc/14/23/79/345142379.db2.gz YUCWGUBPHMRXGB-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CC1(C)CC[C@@H]1NCc1cnccn1 306254439 345145963 /nfs/dbraw/zinc/14/59/63/345145963.db2.gz NZXMYGUSWPXRQF-JTQLQIEISA-N 0 3 191.278 1.755 20 0 ADADHN CC1(C)CC[C@H]1NCc1cnccn1 306254440 345145988 /nfs/dbraw/zinc/14/59/88/345145988.db2.gz NZXMYGUSWPXRQF-SNVBAGLBSA-N 0 3 191.278 1.755 20 0 ADADHN C[C@H]1CN(CC2(C)CC2)C[C@@H](C)O1 306264267 345154268 /nfs/dbraw/zinc/15/42/68/345154268.db2.gz CGVUKKRDOBPDNP-AOOOYVTPSA-N 0 3 183.295 1.896 20 0 ADADHN CN(Cc1cnc[nH]1)C1CCC1 306266370 345155748 /nfs/dbraw/zinc/15/57/48/345155748.db2.gz HAQLSZMKEWYKMY-UHFFFAOYSA-N 0 3 165.240 1.394 20 0 ADADHN CC[C@@](C)(N)c1ncc(Cl)cn1 306268558 345157194 /nfs/dbraw/zinc/15/71/94/345157194.db2.gz KCEYQCJUWODVDQ-MRVPVSSYSA-N 0 3 185.658 1.714 20 0 ADADHN CC[C@](C)(N)c1ncc(Cl)cn1 306268559 345157411 /nfs/dbraw/zinc/15/74/11/345157411.db2.gz KCEYQCJUWODVDQ-QMMMGPOBSA-N 0 3 185.658 1.714 20 0 ADADHN CO[C@H](CN)c1ccsc1C 306272758 345160755 /nfs/dbraw/zinc/16/07/55/345160755.db2.gz YKKRWLGNKCOVHU-MRVPVSSYSA-N 0 3 171.265 1.703 20 0 ADADHN CO[C@@H](CN)c1ccsc1C 306272759 345161033 /nfs/dbraw/zinc/16/10/33/345161033.db2.gz YKKRWLGNKCOVHU-QMMMGPOBSA-N 0 3 171.265 1.703 20 0 ADADHN C[C@H](CF)N[C@@H]1CCSC1 306275970 345163521 /nfs/dbraw/zinc/16/35/21/345163521.db2.gz DHSCMXKPOQZZOX-RNFRBKRXSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@H](CF)N[C@H]1CCSC1 306275972 345163536 /nfs/dbraw/zinc/16/35/36/345163536.db2.gz DHSCMXKPOQZZOX-RQJHMYQMSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@H]1[C@@H](C)N(CCCF)CCN1C 306277367 345164627 /nfs/dbraw/zinc/16/46/27/345164627.db2.gz UPLIMEHRKXMNMM-VHSXEESVSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@H]1[C@H](C)N(CCCF)CCN1C 306277365 345164776 /nfs/dbraw/zinc/16/47/76/345164776.db2.gz UPLIMEHRKXMNMM-UWVGGRQHSA-N 0 3 188.290 1.370 20 0 ADADHN CC(=O)CN1C[C@H]2CCCC[C@H]2C1 306282546 345167396 /nfs/dbraw/zinc/16/73/96/345167396.db2.gz ZKUSVIWQHUVRBI-PHIMTYICSA-N 0 3 181.279 1.697 20 0 ADADHN CC1(C)C[C@H]1NCc1cn[nH]c1 306283749 345167933 /nfs/dbraw/zinc/16/79/33/345167933.db2.gz ATGVRFZUTJEFNF-MRVPVSSYSA-N 0 3 165.240 1.298 20 0 ADADHN CC1(C)C[C@@H]1NCc1cn[nH]c1 306283759 345168068 /nfs/dbraw/zinc/16/80/68/345168068.db2.gz ATGVRFZUTJEFNF-QMMMGPOBSA-N 0 3 165.240 1.298 20 0 ADADHN C[C@H]1CCCN1Cc1ccnn1C 306284002 345168106 /nfs/dbraw/zinc/16/81/06/345168106.db2.gz IQBCULYFNFNBFX-VIFPVBQESA-N 0 3 179.267 1.404 20 0 ADADHN CC1=CCCN(Cc2cnc[nH]2)C1 306289678 345172040 /nfs/dbraw/zinc/17/20/40/345172040.db2.gz OOCBHUCMIHFVLI-UHFFFAOYSA-N 0 3 177.251 1.562 20 0 ADADHN C[C@H]1CCCN1CN1CCCC1=O 306290186 345172075 /nfs/dbraw/zinc/17/20/75/345172075.db2.gz OXQRSZCITANCHK-VIFPVBQESA-N 0 3 182.267 1.051 20 0 ADADHN C[C@@H]1CCCN1CN1CCCC1=O 306290185 345172189 /nfs/dbraw/zinc/17/21/89/345172189.db2.gz OXQRSZCITANCHK-SECBINFHSA-N 0 3 182.267 1.051 20 0 ADADHN Cc1ncccc1CN(C)C1CC1 306297218 345178078 /nfs/dbraw/zinc/17/80/78/345178078.db2.gz DCCLZGVOSGPBOT-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN CN(C)CCSC1CCC1 306298108 345179138 /nfs/dbraw/zinc/17/91/38/345179138.db2.gz OQSMMTZFYFOQJS-UHFFFAOYSA-N 0 3 159.298 1.834 20 0 ADADHN Cc1n[nH]cc1CN(C)C1CCC1 306299169 345179772 /nfs/dbraw/zinc/17/97/72/345179772.db2.gz XYYSEAMIGLNMNT-UHFFFAOYSA-N 0 3 179.267 1.702 20 0 ADADHN c1nc(CN[C@@H]2CCC[C@H]3C[C@H]32)co1 306304071 345183492 /nfs/dbraw/zinc/18/34/92/345183492.db2.gz OKDXJDHMYZTRPS-JMJZKYOTSA-N 0 3 192.262 1.953 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@@H]1C=CCCC1 306306868 345186760 /nfs/dbraw/zinc/18/67/60/345186760.db2.gz FORUKXYDUATGRM-NXEZZACHSA-N 0 3 196.294 1.195 20 0 ADADHN Cn1cc([C@H]2NCC23CCCC3)cn1 306309576 345188504 /nfs/dbraw/zinc/18/85/04/345188504.db2.gz STAAOSSOPOKLFW-SNVBAGLBSA-N 0 3 191.278 1.625 20 0 ADADHN Cn1cc([C@@H]2NCC23CCCC3)cn1 306309574 345188708 /nfs/dbraw/zinc/18/87/08/345188708.db2.gz STAAOSSOPOKLFW-JTQLQIEISA-N 0 3 191.278 1.625 20 0 ADADHN C[C@H]1CCCN(Cc2cn[nH]c2)C1 306311841 345190966 /nfs/dbraw/zinc/19/09/66/345190966.db2.gz NDDDAXBNIYAUHF-VIFPVBQESA-N 0 3 179.267 1.642 20 0 ADADHN CC(=O)CN1CC[C@H]2CCC[C@@H]21 306317287 345195812 /nfs/dbraw/zinc/19/58/12/345195812.db2.gz RVHSWPSZEPDUCU-ZJUUUORDSA-N 0 3 167.252 1.450 20 0 ADADHN CC(=O)CN1CC[C@H]2CCC[C@H]21 306317282 345195894 /nfs/dbraw/zinc/19/58/94/345195894.db2.gz RVHSWPSZEPDUCU-NXEZZACHSA-N 0 3 167.252 1.450 20 0 ADADHN CC(=O)CN1CC[C@@H]2CCC[C@H]21 306317285 345195904 /nfs/dbraw/zinc/19/59/04/345195904.db2.gz RVHSWPSZEPDUCU-VHSXEESVSA-N 0 3 167.252 1.450 20 0 ADADHN CC(=O)CN1CC[C@@H]2CCC[C@@H]21 306317283 345195931 /nfs/dbraw/zinc/19/59/31/345195931.db2.gz RVHSWPSZEPDUCU-UWVGGRQHSA-N 0 3 167.252 1.450 20 0 ADADHN C[C@H]1C[C@H]1CN1CCOCC1(C)C 306318343 345196305 /nfs/dbraw/zinc/19/63/05/345196305.db2.gz BEOQVLNUPCEMNN-UWVGGRQHSA-N 0 3 183.295 1.753 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCOCC1(C)C 306318348 345196344 /nfs/dbraw/zinc/19/63/44/345196344.db2.gz BEOQVLNUPCEMNN-VHSXEESVSA-N 0 3 183.295 1.753 20 0 ADADHN Cc1cn[nH]c1CN(C)C(C)C 306324114 345201398 /nfs/dbraw/zinc/20/13/98/345201398.db2.gz KTBMJBFXFHCPBR-UHFFFAOYSA-N 0 3 167.256 1.558 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CCSC1 306329360 345206676 /nfs/dbraw/zinc/20/66/76/345206676.db2.gz ZCUWNQDEYZCZRN-QMMMGPOBSA-N 0 3 197.307 1.313 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CCSC1 306329359 345206698 /nfs/dbraw/zinc/20/66/98/345206698.db2.gz ZCUWNQDEYZCZRN-MRVPVSSYSA-N 0 3 197.307 1.313 20 0 ADADHN CCCN1CCO[C@H]2CCC[C@H]21 306330520 345207545 /nfs/dbraw/zinc/20/75/45/345207545.db2.gz PNAGZDZMPPYVEK-ZJUUUORDSA-N 0 3 169.268 1.650 20 0 ADADHN CC1CC(N[C@H](C)CF)C1 306330811 345208256 /nfs/dbraw/zinc/20/82/56/345208256.db2.gz BVIDJWSAXNABHL-ZUEIMRROSA-N 0 3 145.221 1.733 20 0 ADADHN CO[C@@H](CN)c1cnc(C)s1 306343470 345217825 /nfs/dbraw/zinc/21/78/25/345217825.db2.gz MFEAJFIRQAQFTN-LURJTMIESA-N 0 3 172.253 1.098 20 0 ADADHN CO[C@H](CN)c1cnc(C)s1 306343472 345217849 /nfs/dbraw/zinc/21/78/49/345217849.db2.gz MFEAJFIRQAQFTN-ZCFIWIBFSA-N 0 3 172.253 1.098 20 0 ADADHN C[C@H]1CCCCN1Cc1c[nH]cn1 306344149 345218075 /nfs/dbraw/zinc/21/80/75/345218075.db2.gz CDQSYAAOLMIHBU-VIFPVBQESA-N 0 3 179.267 1.784 20 0 ADADHN C[C@H]1CCCCN1Cc1cnc[nH]1 306344149 345218077 /nfs/dbraw/zinc/21/80/77/345218077.db2.gz CDQSYAAOLMIHBU-VIFPVBQESA-N 0 3 179.267 1.784 20 0 ADADHN CN([C@H]1CCOC1)[C@H]1C=CCCC1 306345836 345219306 /nfs/dbraw/zinc/21/93/06/345219306.db2.gz QNMBEIKYYAWLJL-QWRGUYRKSA-N 0 3 181.279 1.816 20 0 ADADHN CN([C@@H]1C=CCCC1)[C@H]1CCOC1 306345835 345219503 /nfs/dbraw/zinc/21/95/03/345219503.db2.gz QNMBEIKYYAWLJL-MNOVXSKESA-N 0 3 181.279 1.816 20 0 ADADHN CN([C@@H]1C=CCCC1)[C@@H]1CCOC1 306345834 345219660 /nfs/dbraw/zinc/21/96/60/345219660.db2.gz QNMBEIKYYAWLJL-GHMZBOCLSA-N 0 3 181.279 1.816 20 0 ADADHN CN([C@H]1C=CCCC1)[C@@H]1CCOC1 306346181 345219931 /nfs/dbraw/zinc/21/99/31/345219931.db2.gz QNMBEIKYYAWLJL-WDEREUQCSA-N 0 3 181.279 1.816 20 0 ADADHN CC1(C)CCN(Cc2ccno2)C1 306361148 345231275 /nfs/dbraw/zinc/23/12/75/345231275.db2.gz OIVJXOLBAVANII-UHFFFAOYSA-N 0 3 180.251 1.907 20 0 ADADHN C[C@H](O)CN1CCC(F)(F)[C@@H](C)C1 306361635 345231754 /nfs/dbraw/zinc/23/17/54/345231754.db2.gz PXASKIKYYGFDQU-YUMQZZPRSA-N 0 3 193.237 1.344 20 0 ADADHN CN1CCN(CCCF)C(C)(C)C1 306361239 345231779 /nfs/dbraw/zinc/23/17/79/345231779.db2.gz OSFDMVHHFWZZGC-UHFFFAOYSA-N 0 3 188.290 1.372 20 0 ADADHN C[C@H](F)CCN1CCOC(C)(C)C1 306361942 345232074 /nfs/dbraw/zinc/23/20/74/345232074.db2.gz QRDQRIGHLUVZKT-VIFPVBQESA-N 0 3 189.274 1.845 20 0 ADADHN C[C@H]1CN(C[C@@H](C)O)CCC1(F)F 306361633 345232113 /nfs/dbraw/zinc/23/21/13/345232113.db2.gz PXASKIKYYGFDQU-JGVFFNPUSA-N 0 3 193.237 1.344 20 0 ADADHN C[C@H](O)CN1CCC(F)(F)[C@H](C)C1 306361634 345232210 /nfs/dbraw/zinc/23/22/10/345232210.db2.gz PXASKIKYYGFDQU-SFYZADRCSA-N 0 3 193.237 1.344 20 0 ADADHN CCCN[C@@H]1C[C@H](C)n2ccnc21 306365861 345235523 /nfs/dbraw/zinc/23/55/23/345235523.db2.gz CBKYEVUFZZYPKQ-DTWKUNHWSA-N 0 3 179.267 1.889 20 0 ADADHN CCCN[C@@H]1C[C@@H](C)n2ccnc21 306365874 345235697 /nfs/dbraw/zinc/23/56/97/345235697.db2.gz CBKYEVUFZZYPKQ-RKDXNWHRSA-N 0 3 179.267 1.889 20 0 ADADHN C[Si](C)(C)CN1CCOCC1 306374214 345241290 /nfs/dbraw/zinc/24/12/90/345241290.db2.gz KERMCIDYHZSYSP-UHFFFAOYSA-N 0 3 173.332 1.196 20 0 ADADHN C[C@H]1CSC[C@@H]1NCc1ccno1 306379409 345245308 /nfs/dbraw/zinc/24/53/08/345245308.db2.gz PSWSDRGIRTWTKS-CBAPKCEASA-N 0 3 198.291 1.516 20 0 ADADHN C[C@H]1CSC[C@H]1NCc1ccno1 306379410 345245406 /nfs/dbraw/zinc/24/54/06/345245406.db2.gz PSWSDRGIRTWTKS-IONNQARKSA-N 0 3 198.291 1.516 20 0 ADADHN C[C@H](N[C@@H]1CC1(C)C)c1cn[nH]c1 306382520 345247874 /nfs/dbraw/zinc/24/78/74/345247874.db2.gz ZTYRFTRNPHRWCA-IONNQARKSA-N 0 3 179.267 1.859 20 0 ADADHN C[C@H](N[C@H]1CC1(C)C)c1cn[nH]c1 306382519 345248110 /nfs/dbraw/zinc/24/81/10/345248110.db2.gz ZTYRFTRNPHRWCA-CBAPKCEASA-N 0 3 179.267 1.859 20 0 ADADHN CC[C@@H]1CCCN1Cc1c[nH]cn1 306388382 345251782 /nfs/dbraw/zinc/25/17/82/345251782.db2.gz VHJMRENQGKZYEI-SNVBAGLBSA-N 0 3 179.267 1.784 20 0 ADADHN CC(C)[C@H](C)OC1CNC1 306388954 345252615 /nfs/dbraw/zinc/25/26/15/345252615.db2.gz VYUPGPIYAPMZRG-ZETCQYMHSA-N 0 3 143.230 1.019 20 0 ADADHN CC(C)[C@@H](C)OC1CNC1 306388953 345252717 /nfs/dbraw/zinc/25/27/17/345252717.db2.gz VYUPGPIYAPMZRG-SSDOTTSWSA-N 0 3 143.230 1.019 20 0 ADADHN Cc1nn(C)cc1CN1CCCC1 306398690 345259630 /nfs/dbraw/zinc/25/96/30/345259630.db2.gz JPOCNXFBBCDYQO-UHFFFAOYSA-N 0 3 179.267 1.324 20 0 ADADHN CC[C@H](F)CN1CCC[C@H](O)C1 306400971 345261899 /nfs/dbraw/zinc/26/18/99/345261899.db2.gz OXDZZZFECSSDFB-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H](F)CN1CCC[C@H](O)C1 306400969 345262111 /nfs/dbraw/zinc/26/21/11/345262111.db2.gz OXDZZZFECSSDFB-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](F)CN1CCC[C@@H](O)C1 306400970 345262148 /nfs/dbraw/zinc/26/21/48/345262148.db2.gz OXDZZZFECSSDFB-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H](F)CN1CCC[C@@H](O)C1 306400972 345262282 /nfs/dbraw/zinc/26/22/82/345262282.db2.gz OXDZZZFECSSDFB-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN CC1(C)CC[C@@H]1NCc1ncc[nH]1 306406035 345265828 /nfs/dbraw/zinc/26/58/28/345265828.db2.gz COYQVUJHBIOWQO-QMMMGPOBSA-N 0 3 179.267 1.688 20 0 ADADHN CC1(C)CC[C@H]1NCc1ncc[nH]1 306406034 345265845 /nfs/dbraw/zinc/26/58/45/345265845.db2.gz COYQVUJHBIOWQO-MRVPVSSYSA-N 0 3 179.267 1.688 20 0 ADADHN CN[C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C 306409430 345269035 /nfs/dbraw/zinc/26/90/35/345269035.db2.gz LVSACAXCIOZMLO-KXUCPTDWSA-N 0 3 198.310 1.241 20 0 ADADHN CN[C@@H](C)C(=O)N1CCC[C@H](C)[C@H]1C 306409431 345269210 /nfs/dbraw/zinc/26/92/10/345269210.db2.gz LVSACAXCIOZMLO-LPEHRKFASA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C)N1CCOC(C)(C)C1 306412028 345271002 /nfs/dbraw/zinc/27/10/02/345271002.db2.gz LHEMOJOKIKLBQW-VIFPVBQESA-N 0 3 171.284 1.896 20 0 ADADHN Cc1n[nH]cc1CN[C@@H]1CCC1(C)C 306415238 345273835 /nfs/dbraw/zinc/27/38/35/345273835.db2.gz PSIHJZWAXRFBFN-SNVBAGLBSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1n[nH]cc1CN[C@H]1CCC1(C)C 306415237 345273968 /nfs/dbraw/zinc/27/39/68/345273968.db2.gz PSIHJZWAXRFBFN-JTQLQIEISA-N 0 3 193.294 1.996 20 0 ADADHN C[C@H]1CCCN(Cc2ccno2)C1 306416705 345274379 /nfs/dbraw/zinc/27/43/79/345274379.db2.gz RUIKXNRVLYCGID-VIFPVBQESA-N 0 3 180.251 1.907 20 0 ADADHN Cc1cnc(N2CC(N(C)C)C2)s1 306416376 345274701 /nfs/dbraw/zinc/27/47/01/345274701.db2.gz RCUPHYUKHYLFBT-UHFFFAOYSA-N 0 3 197.307 1.202 20 0 ADADHN CC(C)CSCCN(C)C 306420367 345277766 /nfs/dbraw/zinc/27/77/66/345277766.db2.gz XJBZWNPYLJZWJD-UHFFFAOYSA-N 0 3 161.314 1.937 20 0 ADADHN CCCN1CCO[C@](C)(CC)C1 306422976 345279868 /nfs/dbraw/zinc/27/98/68/345279868.db2.gz HTYIFGXHBXVWFK-SNVBAGLBSA-N 0 3 171.284 1.897 20 0 ADADHN CCCN1CCO[C@@](C)(CC)C1 306422975 345280089 /nfs/dbraw/zinc/28/00/89/345280089.db2.gz HTYIFGXHBXVWFK-JTQLQIEISA-N 0 3 171.284 1.897 20 0 ADADHN C[C@@H]1CN(CCF)C[C@H]1C 306427875 345285113 /nfs/dbraw/zinc/28/51/13/345285113.db2.gz JTEVKNUWTUHQCV-HTQZYQBOSA-N 0 3 145.221 1.544 20 0 ADADHN C[C@H]1CN(CCF)C[C@@H]1C 306427877 345285221 /nfs/dbraw/zinc/28/52/21/345285221.db2.gz JTEVKNUWTUHQCV-YUMQZZPRSA-N 0 3 145.221 1.544 20 0 ADADHN C[C@@H]1CN(CCF)C[C@@H]1C 306427876 345285350 /nfs/dbraw/zinc/28/53/50/345285350.db2.gz JTEVKNUWTUHQCV-OCAPTIKFSA-N 0 3 145.221 1.544 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1c[nH]cn1 306429129 345286739 /nfs/dbraw/zinc/28/67/39/345286739.db2.gz ODCSJUDOBBCVHH-IUCAKERBSA-N 0 3 179.267 1.783 20 0 ADADHN C[C@@H]1CCN(C(=O)[C@H](C)N)C[C@H](C)C1 306429851 345287938 /nfs/dbraw/zinc/28/79/38/345287938.db2.gz PNNVCBNETXHYNC-BBBLOLIVSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H]1CCN(C(=O)[C@H](C)N)C[C@@H](C)C1 306429854 345288010 /nfs/dbraw/zinc/28/80/10/345288010.db2.gz PNNVCBNETXHYNC-UTLUCORTSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H]1CCN(C(=O)[C@@H](C)N)C[C@H](C)C1 306429853 345288026 /nfs/dbraw/zinc/28/80/26/345288026.db2.gz PNNVCBNETXHYNC-OPRDCNLKSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H]1CCN(C(=O)[C@@H](C)N)C[C@@H](C)C1 306429852 345288172 /nfs/dbraw/zinc/28/81/72/345288172.db2.gz PNNVCBNETXHYNC-KXUCPTDWSA-N 0 3 198.310 1.228 20 0 ADADHN Cc1cc(CN2CCCC2)n[nH]1 306432541 345291849 /nfs/dbraw/zinc/29/18/49/345291849.db2.gz TVFGJMYMLLWWNG-UHFFFAOYSA-N 0 3 165.240 1.314 20 0 ADADHN CC[C@@]1(C)CN(CC2CC2)CCO1 306437491 345298350 /nfs/dbraw/zinc/29/83/50/345298350.db2.gz FGFHUSPGZIOUFJ-NSHDSACASA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2c[nH]cn2)C1 306439752 345300172 /nfs/dbraw/zinc/30/01/72/345300172.db2.gz HJYCJCJPPIWQIP-IUCAKERBSA-N 0 3 179.267 1.640 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1c[nH]cn1 306439750 345300260 /nfs/dbraw/zinc/30/02/60/345300260.db2.gz HJYCJCJPPIWQIP-BDAKNGLRSA-N 0 3 179.267 1.640 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2c[nH]cn2)C1 306439751 345300664 /nfs/dbraw/zinc/30/06/64/345300664.db2.gz HJYCJCJPPIWQIP-DTWKUNHWSA-N 0 3 179.267 1.640 20 0 ADADHN CC(C)N[C@H]1C[C@@H](C)n2ccnc21 306441192 345301954 /nfs/dbraw/zinc/30/19/54/345301954.db2.gz LENDYQSORFCXMZ-BDAKNGLRSA-N 0 3 179.267 1.887 20 0 ADADHN CC(C)N[C@@H]1C[C@H](C)n2ccnc21 306441194 345302136 /nfs/dbraw/zinc/30/21/36/345302136.db2.gz LENDYQSORFCXMZ-DTWKUNHWSA-N 0 3 179.267 1.887 20 0 ADADHN CC(C)N[C@@H]1C[C@@H](C)n2ccnc21 306441198 345302144 /nfs/dbraw/zinc/30/21/44/345302144.db2.gz LENDYQSORFCXMZ-RKDXNWHRSA-N 0 3 179.267 1.887 20 0 ADADHN CC(C)N[C@H]1C[C@H](C)n2ccnc21 306441196 345302170 /nfs/dbraw/zinc/30/21/70/345302170.db2.gz LENDYQSORFCXMZ-IUCAKERBSA-N 0 3 179.267 1.887 20 0 ADADHN CC[C@H](F)CN1CCOC[C@@H](C)C1 306443147 345303798 /nfs/dbraw/zinc/30/37/98/345303798.db2.gz LZRBWPGCCNNHGT-UWVGGRQHSA-N 0 3 189.274 1.703 20 0 ADADHN CC[C@@H](F)CN1CCOC[C@@H](C)C1 306443148 345303858 /nfs/dbraw/zinc/30/38/58/345303858.db2.gz LZRBWPGCCNNHGT-VHSXEESVSA-N 0 3 189.274 1.703 20 0 ADADHN CC[C@@H](F)CN1CCOC[C@H](C)C1 306443146 345303863 /nfs/dbraw/zinc/30/38/63/345303863.db2.gz LZRBWPGCCNNHGT-NXEZZACHSA-N 0 3 189.274 1.703 20 0 ADADHN CC[C@H](F)CN1CCOC[C@H](C)C1 306443149 345303897 /nfs/dbraw/zinc/30/38/97/345303897.db2.gz LZRBWPGCCNNHGT-ZJUUUORDSA-N 0 3 189.274 1.703 20 0 ADADHN C[C@@H](O)CN1CC[C@@H](C(F)(F)F)C1 306443681 345304335 /nfs/dbraw/zinc/30/43/35/345304335.db2.gz ALWHZQPUUUCGQG-RNFRBKRXSA-N 0 3 197.200 1.251 20 0 ADADHN CC[C@@]1(C)CN(C(C)C)CCO1 306445196 345305201 /nfs/dbraw/zinc/30/52/01/345305201.db2.gz QBGDUOHKRRDDPA-JTQLQIEISA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@]1(C)CN(C(C)C)CCO1 306445198 345305440 /nfs/dbraw/zinc/30/54/40/345305440.db2.gz QBGDUOHKRRDDPA-SNVBAGLBSA-N 0 3 171.284 1.896 20 0 ADADHN CC(C)N1CCC[C@@](F)(CO)C1 306447193 345306836 /nfs/dbraw/zinc/30/68/36/345306836.db2.gz DHVBRJNLSSLJLG-VIFPVBQESA-N 0 3 175.247 1.191 20 0 ADADHN CC(C)N1CCC[C@](F)(CO)C1 306447191 345306941 /nfs/dbraw/zinc/30/69/41/345306941.db2.gz DHVBRJNLSSLJLG-SECBINFHSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](C)N1CCc2n[nH]cc2C1 306450605 345311154 /nfs/dbraw/zinc/31/11/54/345311154.db2.gz ZFZILAOEUXSWIZ-QMMMGPOBSA-N 0 3 179.267 1.566 20 0 ADADHN Cc1cnn(C)c1CNC(C)C 306456983 345316469 /nfs/dbraw/zinc/31/64/69/345316469.db2.gz XWCVGLZAENYVNU-UHFFFAOYSA-N 0 3 167.256 1.227 20 0 ADADHN Cc1cc([C@H](C)NC2CCC2)nn1C 306468563 345330502 /nfs/dbraw/zinc/33/05/02/345330502.db2.gz NYDJTTARYFFRNJ-VIFPVBQESA-N 0 3 193.294 1.932 20 0 ADADHN CN(C[C@H]1CCCO1)[C@H]1CC1(C)C 306468602 345330619 /nfs/dbraw/zinc/33/06/19/345330619.db2.gz OCEROTZBYZMXFH-ZJUUUORDSA-N 0 3 183.295 1.896 20 0 ADADHN CN(C[C@H]1CCCO1)[C@@H]1CC1(C)C 306468601 345330730 /nfs/dbraw/zinc/33/07/30/345330730.db2.gz OCEROTZBYZMXFH-NXEZZACHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CN(CCCF)C[C@@H](C)N1C 306470766 345334140 /nfs/dbraw/zinc/33/41/40/345334140.db2.gz RCXFEUJEUIPRTJ-AOOOYVTPSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@H]1CN(CC2CC2)CCO1 306471530 345334795 /nfs/dbraw/zinc/33/47/95/345334795.db2.gz RZNUSHROXRZVLV-QMMMGPOBSA-N 0 3 155.241 1.117 20 0 ADADHN CC(C)N1C[C@@H](C)O[C@H](C2CC2)C1 306472223 345335694 /nfs/dbraw/zinc/33/56/94/345335694.db2.gz JZOQZBVFSJDLFO-KOLCDFICSA-N 0 3 183.295 1.894 20 0 ADADHN CC(C)N1C[C@H](C)O[C@H](C2CC2)C1 306472226 345335764 /nfs/dbraw/zinc/33/57/64/345335764.db2.gz JZOQZBVFSJDLFO-ONGXEEELSA-N 0 3 183.295 1.894 20 0 ADADHN CC(C)N1C[C@H](C)O[C@@H](C2CC2)C1 306472221 345335846 /nfs/dbraw/zinc/33/58/46/345335846.db2.gz JZOQZBVFSJDLFO-GXSJLCMTSA-N 0 3 183.295 1.894 20 0 ADADHN CC(C)N1C[C@H](C2CC2)O[C@H](C)C1 306472224 345335869 /nfs/dbraw/zinc/33/58/69/345335869.db2.gz JZOQZBVFSJDLFO-MWLCHTKSSA-N 0 3 183.295 1.894 20 0 ADADHN CC(C)=CCNC1CSC1 306473081 345336980 /nfs/dbraw/zinc/33/69/80/345336980.db2.gz HNKNYZBPLCDDAN-UHFFFAOYSA-N 0 3 157.282 1.658 20 0 ADADHN CCCCN1CCOCC1(C)C 306473416 345337630 /nfs/dbraw/zinc/33/76/30/345337630.db2.gz DKZUYSSMJLZDKV-UHFFFAOYSA-N 0 3 171.284 1.897 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cn(C)cn1 306474724 345339518 /nfs/dbraw/zinc/33/95/18/345339518.db2.gz WCZMDLOBRHQOTE-ONGXEEELSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cn(C)cn1 306474721 345339525 /nfs/dbraw/zinc/33/95/25/345339525.db2.gz WCZMDLOBRHQOTE-GXSJLCMTSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cn(C)cn1 306474722 345339549 /nfs/dbraw/zinc/33/95/49/345339549.db2.gz WCZMDLOBRHQOTE-KOLCDFICSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H](O)CN1CC[C@H](C(F)(F)F)C1 306477426 345343385 /nfs/dbraw/zinc/34/33/85/345343385.db2.gz ALWHZQPUUUCGQG-RQJHMYQMSA-N 0 3 197.200 1.251 20 0 ADADHN CC1(C)CC[C@@H](NC2(C(N)=O)CC2)C1 306478136 345344361 /nfs/dbraw/zinc/34/43/61/345344361.db2.gz ZGWNBJWVXCQBBY-MRVPVSSYSA-N 0 3 196.294 1.173 20 0 ADADHN CCc1cc(N2CC[C@@H](O)C2)ccn1 306478926 345345310 /nfs/dbraw/zinc/34/53/10/345345310.db2.gz DSTBJLLJDXWASO-LLVKDONJSA-N 0 3 192.262 1.215 20 0 ADADHN CC[C@]1(O)CCN(C/C=C/Cl)C1 306480031 345347393 /nfs/dbraw/zinc/34/73/93/345347393.db2.gz MPTPQPGDWCWGGU-SGRBOOSSSA-N 0 3 189.686 1.586 20 0 ADADHN CC[C@@]1(O)CCN(C/C=C/Cl)C1 306480030 345347460 /nfs/dbraw/zinc/34/74/60/345347460.db2.gz MPTPQPGDWCWGGU-HYYFJVDXSA-N 0 3 189.686 1.586 20 0 ADADHN CC1(C)CC[C@H]1NCCF 306480230 345348086 /nfs/dbraw/zinc/34/80/86/345348086.db2.gz ILOHDFGVQDXOIB-SSDOTTSWSA-N 0 3 145.221 1.734 20 0 ADADHN CC1(C)CC[C@@H]1NCCF 306480231 345348090 /nfs/dbraw/zinc/34/80/90/345348090.db2.gz ILOHDFGVQDXOIB-ZETCQYMHSA-N 0 3 145.221 1.734 20 0 ADADHN C[C@H]1C[C@H](C)N(CCF)C1 306482211 345350889 /nfs/dbraw/zinc/35/08/89/345350889.db2.gz MAVPQCUIJXHRHA-YUMQZZPRSA-N 0 3 145.221 1.686 20 0 ADADHN C[C@H]1C[C@@H](C)CN1CCF 306482210 345350895 /nfs/dbraw/zinc/35/08/95/345350895.db2.gz MAVPQCUIJXHRHA-SFYZADRCSA-N 0 3 145.221 1.686 20 0 ADADHN C[C@H]1C[C@@H](C)N(CCF)C1 306482209 345350920 /nfs/dbraw/zinc/35/09/20/345350920.db2.gz MAVPQCUIJXHRHA-JGVFFNPUSA-N 0 3 145.221 1.686 20 0 ADADHN C[C@@H]1C[C@@H](C)N(CCF)C1 306482208 345350951 /nfs/dbraw/zinc/35/09/51/345350951.db2.gz MAVPQCUIJXHRHA-HTQZYQBOSA-N 0 3 145.221 1.686 20 0 ADADHN Cc1ccncc1CN1CCCC1 306483754 345352384 /nfs/dbraw/zinc/35/23/84/345352384.db2.gz OXWRNUWKWNNNCF-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CC[C@H](F)CN1CC[C@@](C)(O)C1 306488865 345359442 /nfs/dbraw/zinc/35/94/42/345359442.db2.gz VSIKQVJOHCKYPP-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@H](F)CN1CC[C@](C)(O)C1 306488866 345359354 /nfs/dbraw/zinc/35/93/54/345359354.db2.gz VSIKQVJOHCKYPP-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H](F)CN1CC[C@](C)(O)C1 306488864 345359521 /nfs/dbraw/zinc/35/95/21/345359521.db2.gz VSIKQVJOHCKYPP-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN CC[C@@H](F)CN1CC[C@@](C)(O)C1 306488867 345359651 /nfs/dbraw/zinc/35/96/51/345359651.db2.gz VSIKQVJOHCKYPP-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN CC1CCN(Cc2cn[nH]c2)CC1 306489115 345360085 /nfs/dbraw/zinc/36/00/85/345360085.db2.gz SYLJDHLDYCVTRC-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CN1CCN(CCC2CC2)CC1 306489566 345360689 /nfs/dbraw/zinc/36/06/89/345360689.db2.gz WTOQAXSLOQJVTF-UHFFFAOYSA-N 0 3 168.284 1.034 20 0 ADADHN CN(CC1=CCCOC1)C1CC1 306491550 345364262 /nfs/dbraw/zinc/36/42/62/345364262.db2.gz NSJFYMQPVQAYHO-UHFFFAOYSA-N 0 3 167.252 1.427 20 0 ADADHN CN(Cc1ccn(C)c1)C1CC1 306492420 345364792 /nfs/dbraw/zinc/36/47/92/345364792.db2.gz PEINTMSNQPUDMS-UHFFFAOYSA-N 0 3 164.252 1.619 20 0 ADADHN CC1(C)CCC(CNC(=O)CN)CC1 306494765 345368407 /nfs/dbraw/zinc/36/84/07/345368407.db2.gz UMPMNSXAZIQIAE-UHFFFAOYSA-N 0 3 198.310 1.278 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@@H]1C=CCCC1 306496922 345371218 /nfs/dbraw/zinc/37/12/18/345371218.db2.gz FORUKXYDUATGRM-ZJUUUORDSA-N 0 3 196.294 1.195 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@H]1C=CCCC1 306496921 345371304 /nfs/dbraw/zinc/37/13/04/345371304.db2.gz FORUKXYDUATGRM-UWVGGRQHSA-N 0 3 196.294 1.195 20 0 ADADHN Cc1c[nH]nc1CNC(C)C 306501875 345376032 /nfs/dbraw/zinc/37/60/32/345376032.db2.gz COZXCOAUMDCEBX-UHFFFAOYSA-N 0 3 153.229 1.216 20 0 ADADHN CC1(C)CN[C@H]1c1ccco1 306500463 345374798 /nfs/dbraw/zinc/37/47/98/345374798.db2.gz YERKSMSQXWCIAA-QMMMGPOBSA-N 0 3 151.209 1.950 20 0 in-vitro ADADHN CN1CC[C@H](CSc2ncco2)C1 306501636 345375728 /nfs/dbraw/zinc/37/57/28/345375728.db2.gz RRAZEFWINBHRFG-QMMMGPOBSA-N 0 3 198.291 1.718 20 0 ADADHN CN1CC[C@@H](CSc2ncco2)C1 306501635 345375921 /nfs/dbraw/zinc/37/59/21/345375921.db2.gz RRAZEFWINBHRFG-MRVPVSSYSA-N 0 3 198.291 1.718 20 0 ADADHN CCCCN1CCO[C@@H](C)[C@@H]1C 306508213 345380846 /nfs/dbraw/zinc/38/08/46/345380846.db2.gz AEXIYHVQBJJVNG-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCCN1CCO[C@H](C)[C@@H]1C 306508215 345380920 /nfs/dbraw/zinc/38/09/20/345380920.db2.gz AEXIYHVQBJJVNG-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CCCCN1CCO[C@@H](C)[C@H]1C 306508217 345381116 /nfs/dbraw/zinc/38/11/16/345381116.db2.gz AEXIYHVQBJJVNG-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN CCCCN1CCO[C@H](C)[C@H]1C 306508210 345381127 /nfs/dbraw/zinc/38/11/27/345381127.db2.gz AEXIYHVQBJJVNG-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN Cc1c[nH]nc1CNC(C)(C)C 306509121 345381641 /nfs/dbraw/zinc/38/16/41/345381641.db2.gz BEKIKTFWJDWNEM-UHFFFAOYSA-N 0 3 167.256 1.606 20 0 ADADHN C[C@H](O)CN1CCOCC12CCCC2 306515626 345386707 /nfs/dbraw/zinc/38/67/07/345386707.db2.gz DVTBZRDKSVWFCV-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN Cc1cn[nH]c1CN[C@@H]1CCC[C@@H]1F 306516849 345388153 /nfs/dbraw/zinc/38/81/53/345388153.db2.gz ZHVJOFICCSCSBV-DTWKUNHWSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1n[nH]c(C)c1CN(C)C(C)C 306521975 345393703 /nfs/dbraw/zinc/39/37/03/345393703.db2.gz LDRVKIIDEQELQR-UHFFFAOYSA-N 0 3 181.283 1.867 20 0 ADADHN CC1CCN(Cc2ccno2)CC1 306526548 345398290 /nfs/dbraw/zinc/39/82/90/345398290.db2.gz UWULCJHCUQJFQI-UHFFFAOYSA-N 0 3 180.251 1.907 20 0 ADADHN C[C@H]1C[C@H](O)CN1CCC(F)(F)F 306526791 345398912 /nfs/dbraw/zinc/39/89/12/345398912.db2.gz VPSFQEWCIOVGQK-BQBZGAKWSA-N 0 3 197.200 1.394 20 0 ADADHN C[C@H]1C[C@@H](O)CN1CCC(F)(F)F 306526792 345398938 /nfs/dbraw/zinc/39/89/38/345398938.db2.gz VPSFQEWCIOVGQK-NKWVEPMBSA-N 0 3 197.200 1.394 20 0 ADADHN Cc1cc(CN[C@H]2CCC2(C)C)[nH]n1 306530371 345401271 /nfs/dbraw/zinc/40/12/71/345401271.db2.gz DCWNQSJYPKYCNH-JTQLQIEISA-N 0 3 193.294 1.996 20 0 ADADHN Cc1cc(CN[C@@H]2CCC2(C)C)[nH]n1 306530372 345401405 /nfs/dbraw/zinc/40/14/05/345401405.db2.gz DCWNQSJYPKYCNH-SNVBAGLBSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1cc(CN2CC[C@H](O)C2)cs1 306530593 345402177 /nfs/dbraw/zinc/40/21/77/345402177.db2.gz JQOJHCJSYFBUAT-JTQLQIEISA-N 0 3 197.303 1.623 20 0 ADADHN Cc1c[nH]nc1CNC1CC(C)C1 306531710 345403532 /nfs/dbraw/zinc/40/35/32/345403532.db2.gz IHSGHDMGPGKNDS-UHFFFAOYSA-N 0 3 179.267 1.606 20 0 ADADHN CC[C@H](C)CN1CCOCC12CC2 306532497 345404800 /nfs/dbraw/zinc/40/48/00/345404800.db2.gz GLZKSGUFACCESG-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1CN(C(=O)C(C)(C)N)C(C)(C)C1 306533688 345406345 /nfs/dbraw/zinc/40/63/45/345406345.db2.gz CZEKTRYGFZPIRD-MRVPVSSYSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H]1CN(C(=O)C(C)(C)N)C(C)(C)C1 306533689 345406538 /nfs/dbraw/zinc/40/65/38/345406538.db2.gz CZEKTRYGFZPIRD-QMMMGPOBSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CN(CC2CCC2)[C@H](C)CO1 306537444 345410427 /nfs/dbraw/zinc/41/04/27/345410427.db2.gz LGSSMACHTWELEN-ZJUUUORDSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CN(CC2CCC2)[C@@H](C)CO1 306537442 345410503 /nfs/dbraw/zinc/41/05/03/345410503.db2.gz LGSSMACHTWELEN-UWVGGRQHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CO[C@H](C)CN1CC1CCC1 306537443 345410524 /nfs/dbraw/zinc/41/05/24/345410524.db2.gz LGSSMACHTWELEN-VHSXEESVSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CCCN1Cc1ccno1 306538488 345411976 /nfs/dbraw/zinc/41/19/76/345411976.db2.gz STEJTRJETUADPY-QMMMGPOBSA-N 0 3 166.224 1.659 20 0 ADADHN C[C@H]1CCN(Cc2ccnn2C)C1 306538626 345412339 /nfs/dbraw/zinc/41/23/39/345412339.db2.gz PGEQCTODIQFUBB-VIFPVBQESA-N 0 3 179.267 1.262 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@@H]1C 306541744 345415517 /nfs/dbraw/zinc/41/55/17/345415517.db2.gz UDPGEVKDAOVPDK-WCBMZHEXSA-N 0 3 193.294 1.996 20 0 ADADHN c1cc(CNC2CSC2)cs1 306541717 345415552 /nfs/dbraw/zinc/41/55/52/345415552.db2.gz UCEXWUDBWNSKRR-UHFFFAOYSA-N 0 3 185.317 1.953 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@H]1C 306541741 345415605 /nfs/dbraw/zinc/41/56/05/345415605.db2.gz UDPGEVKDAOVPDK-PSASIEDQSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CCC[C@H]1C 306541742 345415738 /nfs/dbraw/zinc/41/57/38/345415738.db2.gz UDPGEVKDAOVPDK-SCZZXKLOSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CCC[C@@H]1C 306541813 345416145 /nfs/dbraw/zinc/41/61/45/345416145.db2.gz UDPGEVKDAOVPDK-WPRPVWTQSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1cnn(C)c1CN(C)C(C)C 306544524 345418776 /nfs/dbraw/zinc/41/87/76/345418776.db2.gz YLFMQXJTTYOMJW-UHFFFAOYSA-N 0 3 181.283 1.569 20 0 ADADHN C[C@H]1CCN(Cc2cn[nH]c2)C1 306549540 345424671 /nfs/dbraw/zinc/42/46/71/345424671.db2.gz QKSRGUONKOMOSD-QMMMGPOBSA-N 0 3 165.240 1.252 20 0 ADADHN C[C@@H]1CCN(Cc2cn[nH]c2)C1 306549539 345424802 /nfs/dbraw/zinc/42/48/02/345424802.db2.gz QKSRGUONKOMOSD-MRVPVSSYSA-N 0 3 165.240 1.252 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1ccno1 306550781 345426025 /nfs/dbraw/zinc/42/60/25/345426025.db2.gz ZRUFAVAAVZTXGU-BDAKNGLRSA-N 0 3 180.251 1.905 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2ccno2)C1 306550782 345426106 /nfs/dbraw/zinc/42/61/06/345426106.db2.gz ZRUFAVAAVZTXGU-DTWKUNHWSA-N 0 3 180.251 1.905 20 0 ADADHN C[C@H]1CN(CC2CCC2)CCO1 306552457 345428176 /nfs/dbraw/zinc/42/81/76/345428176.db2.gz YYGDQGWNXCNULJ-VIFPVBQESA-N 0 3 169.268 1.507 20 0 ADADHN CC[C@H](C)N1CCO[C@@H](C)C1 306558045 345433379 /nfs/dbraw/zinc/43/33/79/345433379.db2.gz OAEAIPJYEGMWAS-IUCAKERBSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@@H](N)C(=O)N1C[C@H](C)CC1(C)C 306559121 345435061 /nfs/dbraw/zinc/43/50/61/345435061.db2.gz QDCFKBDEJUHMED-RKDXNWHRSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N1C[C@@H](C)CC1(C)C 306559120 345435377 /nfs/dbraw/zinc/43/53/77/345435377.db2.gz QDCFKBDEJUHMED-DTWKUNHWSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](C(N)=O)N1CCC2(CCC2)C1 306561297 345437101 /nfs/dbraw/zinc/43/71/01/345437101.db2.gz SQPHKCXABLDWHU-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@@]1(F)CCN(C[C@H]2CCOC2)C1 306570864 345447696 /nfs/dbraw/zinc/44/76/96/345447696.db2.gz ZNDVGYJPBBDQRL-NXEZZACHSA-N 0 3 187.258 1.457 20 0 ADADHN C[C@]1(F)CCN(C[C@@H]2CCOC2)C1 306570865 345447722 /nfs/dbraw/zinc/44/77/22/345447722.db2.gz ZNDVGYJPBBDQRL-UWVGGRQHSA-N 0 3 187.258 1.457 20 0 ADADHN C[C@H]1CC[C@@H](C)[C@@H]1NCc1cc[nH]n1 306570570 345447808 /nfs/dbraw/zinc/44/78/08/345447808.db2.gz ZALWBZDUUKEACB-JZYVYDRUSA-N 0 3 193.294 1.934 20 0 ADADHN C[C@@]1(F)CCN(C[C@@H]2CCOC2)C1 306570866 345447842 /nfs/dbraw/zinc/44/78/42/345447842.db2.gz ZNDVGYJPBBDQRL-VHSXEESVSA-N 0 3 187.258 1.457 20 0 ADADHN C[C@H]1CC[C@H](C)C1NCc1cc[nH]n1 306570569 345447964 /nfs/dbraw/zinc/44/79/64/345447964.db2.gz ZALWBZDUUKEACB-IUCAKERBSA-N 0 3 193.294 1.934 20 0 ADADHN C[C@@H]1CC[C@@H](C)C1NCc1cc[nH]n1 306570571 345448066 /nfs/dbraw/zinc/44/80/66/345448066.db2.gz ZALWBZDUUKEACB-RKDXNWHRSA-N 0 3 193.294 1.934 20 0 ADADHN C[C@]1(F)CCN(C[C@H]2CCOC2)C1 306570867 345448081 /nfs/dbraw/zinc/44/80/81/345448081.db2.gz ZNDVGYJPBBDQRL-ZJUUUORDSA-N 0 3 187.258 1.457 20 0 ADADHN C[C@H]1OCCN(CCCF)[C@@H]1C 306570602 345448122 /nfs/dbraw/zinc/44/81/22/345448122.db2.gz ZDSILPZKKCRLBY-RKDXNWHRSA-N 0 3 175.247 1.455 20 0 ADADHN C[C@H]1[C@@H](C)OCCN1CCCF 306570600 345448229 /nfs/dbraw/zinc/44/82/29/345448229.db2.gz ZDSILPZKKCRLBY-DTWKUNHWSA-N 0 3 175.247 1.455 20 0 ADADHN C[C@@]1(C2CC2)NCCc2nc[nH]c21 306571321 345448540 /nfs/dbraw/zinc/44/85/40/345448540.db2.gz AJAQUABCSJHXRS-JTQLQIEISA-N 0 3 177.251 1.181 20 0 ADADHN C[C@]1(C2CC2)NCCc2nc[nH]c21 306571323 345448775 /nfs/dbraw/zinc/44/87/75/345448775.db2.gz AJAQUABCSJHXRS-SNVBAGLBSA-N 0 3 177.251 1.181 20 0 ADADHN c1nc2c([nH]1)[C@@H](CCC1CC1)NCC2 306572899 345450130 /nfs/dbraw/zinc/45/01/30/345450130.db2.gz HADHXLVTMADDBI-SECBINFHSA-N 0 3 191.278 1.787 20 0 ADADHN c1nc2c([nH]1)[C@H](CCC1CC1)NCC2 306572900 345450323 /nfs/dbraw/zinc/45/03/23/345450323.db2.gz HADHXLVTMADDBI-VIFPVBQESA-N 0 3 191.278 1.787 20 0 ADADHN C[C@H]1CCN(Cc2c[nH]cn2)[C@H]1C 306574232 345451069 /nfs/dbraw/zinc/45/10/69/345451069.db2.gz QYVWUQYCDHXENL-IUCAKERBSA-N 0 3 179.267 1.640 20 0 ADADHN C[C@H]1CCN(Cc2c[nH]cn2)[C@@H]1C 306574226 345451108 /nfs/dbraw/zinc/45/11/08/345451108.db2.gz QYVWUQYCDHXENL-DTWKUNHWSA-N 0 3 179.267 1.640 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1c[nH]cn1 306574220 345451146 /nfs/dbraw/zinc/45/11/46/345451146.db2.gz QYVWUQYCDHXENL-BDAKNGLRSA-N 0 3 179.267 1.640 20 0 ADADHN c1nc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)co1 306581152 345458086 /nfs/dbraw/zinc/45/80/86/345458086.db2.gz OKDXJDHMYZTRPS-DVVUODLYSA-N 0 3 192.262 1.953 20 0 ADADHN CC1=CCN(Cc2cnc[nH]2)CC1 306581224 345458465 /nfs/dbraw/zinc/45/84/65/345458465.db2.gz ZIKUKFIMTAPTMB-UHFFFAOYSA-N 0 3 177.251 1.562 20 0 ADADHN C[C@@H]1C[C@@H](NC2CSC2)[C@@H](C)O1 306586097 345462474 /nfs/dbraw/zinc/46/24/74/345462474.db2.gz RBJRDQJAURQEOR-ZXFLCMHBSA-N 0 3 187.308 1.257 20 0 ADADHN C[C@@H]1O[C@H](C)C[C@H]1NC1CSC1 306586095 345462670 /nfs/dbraw/zinc/46/26/70/345462670.db2.gz RBJRDQJAURQEOR-BKPPORCPSA-N 0 3 187.308 1.257 20 0 ADADHN C[C@@H]1O[C@H](C)C[C@@H]1NC1CSC1 306586096 345462690 /nfs/dbraw/zinc/46/26/90/345462690.db2.gz RBJRDQJAURQEOR-FJXKBIBVSA-N 0 3 187.308 1.257 20 0 ADADHN C[C@@H]1C[C@H](NC2CSC2)[C@@H](C)O1 306586094 345462785 /nfs/dbraw/zinc/46/27/85/345462785.db2.gz RBJRDQJAURQEOR-BHNWBGBOSA-N 0 3 187.308 1.257 20 0 ADADHN C[C@H](CF)N[C@@H]1CCCOC1 306589664 345466803 /nfs/dbraw/zinc/46/68/03/345466803.db2.gz OQDOGCVKTGICAT-HTQZYQBOSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@H](CF)N[C@H]1CCCOC1 306589675 345467068 /nfs/dbraw/zinc/46/70/68/345467068.db2.gz OQDOGCVKTGICAT-SFYZADRCSA-N 0 3 161.220 1.113 20 0 ADADHN CN(C(=O)[C@H]1CCN1)c1ccccc1 306590556 345467494 /nfs/dbraw/zinc/46/74/94/345467494.db2.gz PKYOZBIPCWZVRF-SNVBAGLBSA-N 0 3 190.246 1.011 20 0 ADADHN C[C@@]1(NCc2ncc[nH]2)CC=CCC1 306601796 345477533 /nfs/dbraw/zinc/47/75/33/345477533.db2.gz CNCNEJKKGHPFJM-LLVKDONJSA-N 0 3 191.278 1.998 20 0 ADADHN C[C@H]1COC[C@@H](C)N1CC1CCC1 306604152 345479596 /nfs/dbraw/zinc/47/95/96/345479596.db2.gz NLXMHJFWOMSESY-AOOOYVTPSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1COC[C@H](C)N1CC1CCC1 306604154 345479701 /nfs/dbraw/zinc/47/97/01/345479701.db2.gz NLXMHJFWOMSESY-UWVGGRQHSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@H]1NCCOC1(C)C 306616846 345490400 /nfs/dbraw/zinc/49/04/00/345490400.db2.gz PSNJQMYLCDDVHN-SSDOTTSWSA-N 0 3 143.230 1.163 20 0 ADADHN CC[C@@H]1NCCOC1(C)C 306616847 345490792 /nfs/dbraw/zinc/49/07/92/345490792.db2.gz PSNJQMYLCDDVHN-ZETCQYMHSA-N 0 3 143.230 1.163 20 0 ADADHN Cc1ccc(CNC2CC(C)C2)nn1 306620591 345493632 /nfs/dbraw/zinc/49/36/32/345493632.db2.gz UYKSJBNUQQPSIK-UHFFFAOYSA-N 0 3 191.278 1.673 20 0 ADADHN CC1(C)C[C@H](NCCF)CO1 306623757 345495789 /nfs/dbraw/zinc/49/57/89/345495789.db2.gz BQIWOQOYROVXNX-ZETCQYMHSA-N 0 3 161.220 1.113 20 0 ADADHN CC1(C)C[C@@H](NCCF)CO1 306623756 345495853 /nfs/dbraw/zinc/49/58/53/345495853.db2.gz BQIWOQOYROVXNX-SSDOTTSWSA-N 0 3 161.220 1.113 20 0 ADADHN C[C@H]1C[C@H](NCC2CC2)c2nccn21 306628418 345499666 /nfs/dbraw/zinc/49/96/66/345499666.db2.gz KLYXUOALADVZMD-WPRPVWTQSA-N 0 3 191.278 1.889 20 0 ADADHN C[C@H]1C[C@@H](NCC2CC2)c2nccn21 306628417 345499781 /nfs/dbraw/zinc/49/97/81/345499781.db2.gz KLYXUOALADVZMD-WCBMZHEXSA-N 0 3 191.278 1.889 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CC[C@H](F)C1 306633639 345502384 /nfs/dbraw/zinc/50/23/84/345502384.db2.gz SENPJOXTBRWUCY-DTWKUNHWSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CC[C@H](F)C1 306633640 345502532 /nfs/dbraw/zinc/50/25/32/345502532.db2.gz SENPJOXTBRWUCY-IUCAKERBSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CC[C@@H](F)C1 306633638 345502569 /nfs/dbraw/zinc/50/25/69/345502569.db2.gz SENPJOXTBRWUCY-BDAKNGLRSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CC[C@@H](F)C1 306633641 345502589 /nfs/dbraw/zinc/50/25/89/345502589.db2.gz SENPJOXTBRWUCY-RKDXNWHRSA-N 0 3 197.257 1.698 20 0 ADADHN CC(C)[C@H]1CCCCN1C(=O)[C@@H](C)N 306637545 345505573 /nfs/dbraw/zinc/50/55/73/345505573.db2.gz MGDLXDGJZKXFEW-NXEZZACHSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H]1CN(Cc2ccco2)C[C@@H]1O 306656038 345521783 /nfs/dbraw/zinc/52/17/83/345521783.db2.gz LHDNTECMEDXBPF-ONGXEEELSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@H]1C[C@@H](O)CN1Cc1ccncc1 306657232 345522500 /nfs/dbraw/zinc/52/25/00/345522500.db2.gz JRVXAKMDTISHTI-GXSJLCMTSA-N 0 3 192.262 1.037 20 0 ADADHN CC(C)[C@H]1CCCCN1C(=O)[C@H](C)N 306660008 345525294 /nfs/dbraw/zinc/52/52/94/345525294.db2.gz MGDLXDGJZKXFEW-VHSXEESVSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)[C@@H]1CCCCN1C(=O)[C@H](C)N 306660002 345525529 /nfs/dbraw/zinc/52/55/29/345525529.db2.gz MGDLXDGJZKXFEW-UWVGGRQHSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](F)CN1CCC[C@](C)(O)C1 306661223 345525848 /nfs/dbraw/zinc/52/58/48/345525848.db2.gz NVDLQNPTQJLBSF-UWVGGRQHSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@@H](F)CN1CCC[C@@](C)(O)C1 306661222 345526001 /nfs/dbraw/zinc/52/60/01/345526001.db2.gz NVDLQNPTQJLBSF-NXEZZACHSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@H](F)CN1CCC[C@@](C)(O)C1 306661224 345526061 /nfs/dbraw/zinc/52/60/61/345526061.db2.gz NVDLQNPTQJLBSF-VHSXEESVSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@@H](F)CN1CCC[C@](C)(O)C1 306661225 345526183 /nfs/dbraw/zinc/52/61/83/345526183.db2.gz NVDLQNPTQJLBSF-ZJUUUORDSA-N 0 3 189.274 1.581 20 0 ADADHN C[C@H]1CCC[C@]2(CC1)COCCN2 306662334 345526285 /nfs/dbraw/zinc/52/62/85/345526285.db2.gz PPUYXWFEGAVMSI-QWRGUYRKSA-N 0 3 183.295 1.945 20 0 ADADHN C[C@H]1CCC[C@@]2(CC1)COCCN2 306662335 345526372 /nfs/dbraw/zinc/52/63/72/345526372.db2.gz PPUYXWFEGAVMSI-WDEREUQCSA-N 0 3 183.295 1.945 20 0 ADADHN C[C@@H]1CCC[C@]2(CC1)COCCN2 306662333 345526489 /nfs/dbraw/zinc/52/64/89/345526489.db2.gz PPUYXWFEGAVMSI-MNOVXSKESA-N 0 3 183.295 1.945 20 0 ADADHN C[C@@H]1CCC[C@@]2(CC1)COCCN2 306662332 345526617 /nfs/dbraw/zinc/52/66/17/345526617.db2.gz PPUYXWFEGAVMSI-GHMZBOCLSA-N 0 3 183.295 1.945 20 0 ADADHN C[C@H]1C[C@@H](O)CN1Cc1cccnc1 306663603 345527685 /nfs/dbraw/zinc/52/76/85/345527685.db2.gz QVVRHXWZMJDJJX-GXSJLCMTSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@H]1C[C@H](O)CN1Cc1cccnc1 306663606 345527941 /nfs/dbraw/zinc/52/79/41/345527941.db2.gz QVVRHXWZMJDJJX-ONGXEEELSA-N 0 3 192.262 1.037 20 0 ADADHN CC[C@@H](F)CN1CCC(C)(O)CC1 306665028 345528247 /nfs/dbraw/zinc/52/82/47/345528247.db2.gz SSYOQHMGOZSIFS-SECBINFHSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@H](F)CN1CCC(C)(O)CC1 306665029 345528410 /nfs/dbraw/zinc/52/84/10/345528410.db2.gz SSYOQHMGOZSIFS-VIFPVBQESA-N 0 3 189.274 1.581 20 0 ADADHN C[C@@H](N)C(=O)N1CCC2(CCC2)CC1 306667699 345530327 /nfs/dbraw/zinc/53/03/27/345530327.db2.gz JSNQUAOTYKVRFD-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@H]1[C@@H](C)OCCN1CC1CCC1 306669509 345531900 /nfs/dbraw/zinc/53/19/00/345531900.db2.gz LEJZYFJOPGRMGZ-VHSXEESVSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CCC[C@@H](C)CN1C(=O)[C@@H](C)N 306676775 345539158 /nfs/dbraw/zinc/53/91/58/345539158.db2.gz XAGHZOHDRUBVEC-KXUCPTDWSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CCC[C@@H](C)N(C(=O)[C@@H](C)N)C1 306676774 345539166 /nfs/dbraw/zinc/53/91/66/345539166.db2.gz XAGHZOHDRUBVEC-IVZWLZJFSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H](C)N)C1 306676777 345539170 /nfs/dbraw/zinc/53/91/70/345539170.db2.gz XAGHZOHDRUBVEC-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CN 306676967 345539304 /nfs/dbraw/zinc/53/93/04/345539304.db2.gz XRUDNPXLCNZYAB-DTWKUNHWSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CN 306676968 345539308 /nfs/dbraw/zinc/53/93/08/345539308.db2.gz XRUDNPXLCNZYAB-IUCAKERBSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H]1CCC[C@H](C)N(C(=O)[C@@H](C)N)C1 306676776 345539331 /nfs/dbraw/zinc/53/93/31/345539331.db2.gz XAGHZOHDRUBVEC-LPEHRKFASA-N 0 3 198.310 1.371 20 0 ADADHN CCCCN(C)CC1OCCO1 306682616 345544046 /nfs/dbraw/zinc/54/40/46/345544046.db2.gz RWPWMXPXHYUDOF-UHFFFAOYSA-N 0 3 173.256 1.091 20 0 ADADHN Cc1sc(N)nc1[C@H](C)N 306683774 345545020 /nfs/dbraw/zinc/54/50/20/345545020.db2.gz XMCJIOQLUUPDMU-VKHMYHEASA-N 0 3 157.242 1.053 20 0 ADADHN Cc1sc(N)nc1[C@@H](C)N 306683773 345545252 /nfs/dbraw/zinc/54/52/52/345545252.db2.gz XMCJIOQLUUPDMU-GSVOUGTGSA-N 0 3 157.242 1.053 20 0 ADADHN CC[C@@](C)(O)CN1CC[C@](C)(F)C1 306686999 345547516 /nfs/dbraw/zinc/54/75/16/345547516.db2.gz GXLNFCUOKWWXHE-VHSXEESVSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@](C)(O)CN1CC[C@@](C)(F)C1 306687000 345547598 /nfs/dbraw/zinc/54/75/98/345547598.db2.gz GXLNFCUOKWWXHE-ZJUUUORDSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@](C)(O)CN1CC[C@](C)(F)C1 306686998 345547628 /nfs/dbraw/zinc/54/76/28/345547628.db2.gz GXLNFCUOKWWXHE-UWVGGRQHSA-N 0 3 189.274 1.581 20 0 ADADHN Cc1n[nH]c(C)c1CN1CCCC1 306688714 345548211 /nfs/dbraw/zinc/54/82/11/345548211.db2.gz JTOSEZDYCIYQRI-UHFFFAOYSA-N 0 3 179.267 1.622 20 0 ADADHN CC1CCC(C)(NC(=O)[C@@H](C)N)CC1 306694649 345551886 /nfs/dbraw/zinc/55/18/86/345551886.db2.gz TWSFEFIGKIYENZ-INWMGODYSA-N 0 3 198.310 1.419 20 0 ADADHN Cc1cccnc1CN(C)C1CC1 306701878 345556475 /nfs/dbraw/zinc/55/64/75/345556475.db2.gz ZLKYFLDEWFUSMN-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN C[C@@H](N)c1cc(F)cnc1F 306707796 345561204 /nfs/dbraw/zinc/56/12/04/345561204.db2.gz SCHVXWMJNASZSZ-SCSAIBSYSA-N 0 3 158.151 1.380 20 0 ADADHN C[C@H](N)c1cc(F)cnc1F 306707795 345561252 /nfs/dbraw/zinc/56/12/52/345561252.db2.gz SCHVXWMJNASZSZ-BYPYZUCNSA-N 0 3 158.151 1.380 20 0 ADADHN C[C@H]1C[C@H](O)CN1Cc1cccs1 306718859 345570236 /nfs/dbraw/zinc/57/02/36/345570236.db2.gz WVASRKMWYSWPPQ-IUCAKERBSA-N 0 3 197.303 1.703 20 0 ADADHN C[C@H]1C[C@@H](O)CN1Cc1cccs1 306718855 345570240 /nfs/dbraw/zinc/57/02/40/345570240.db2.gz WVASRKMWYSWPPQ-DTWKUNHWSA-N 0 3 197.303 1.703 20 0 ADADHN C[C@H]1CCN(C(=O)C2(N)CCC2)[C@@H]1C 306721434 345572445 /nfs/dbraw/zinc/57/24/45/345572445.db2.gz ONEHSLDVPUYUKM-DTWKUNHWSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H]1[C@H](C)CCN1C(=O)C1(N)CCC1 306721433 345572549 /nfs/dbraw/zinc/57/25/49/345572549.db2.gz ONEHSLDVPUYUKM-BDAKNGLRSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H]1CCN(C(=O)C2(N)CCC2)[C@H]1C 306721435 345572601 /nfs/dbraw/zinc/57/26/01/345572601.db2.gz ONEHSLDVPUYUKM-IUCAKERBSA-N 0 3 196.294 1.125 20 0 ADADHN CCNCc1cnn(C)c1Cl 306791689 345618150 /nfs/dbraw/zinc/61/81/50/345618150.db2.gz YQPFEGKZXYVREX-UHFFFAOYSA-N 0 3 173.647 1.183 20 0 ADADHN C[C@H](F)CCN1CCOCC1(C)C 306751517 345591711 /nfs/dbraw/zinc/59/17/11/345591711.db2.gz HXCDKGXFAVDUAC-VIFPVBQESA-N 0 3 189.274 1.845 20 0 ADADHN Cl/C=C/CN1CCc2cn[nH]c2C1 306751881 345592289 /nfs/dbraw/zinc/59/22/89/345592289.db2.gz KSTBCOJMMWNKGA-HNQUOIGGSA-N 0 3 197.669 1.520 20 0 ADADHN CC(C)[C@H]1CCC[C@@H](NC(=O)CN)C1 306754663 345592714 /nfs/dbraw/zinc/59/27/14/345592714.db2.gz KIPUIMUDNWAYIP-VHSXEESVSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)[C@@H]1CCC[C@H](NC(=O)CN)C1 306754664 345592748 /nfs/dbraw/zinc/59/27/48/345592748.db2.gz KIPUIMUDNWAYIP-ZJUUUORDSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)N 306754049 345592847 /nfs/dbraw/zinc/59/28/47/345592847.db2.gz PGEVZIDDGSBUET-YIZRAAEISA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)[C@@H]1CCC[C@@H](NC(=O)CN)C1 306754661 345592968 /nfs/dbraw/zinc/59/29/68/345592968.db2.gz KIPUIMUDNWAYIP-NXEZZACHSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)[C@H]1CCC[C@H](NC(=O)CN)C1 306754662 345592996 /nfs/dbraw/zinc/59/29/96/345592996.db2.gz KIPUIMUDNWAYIP-UWVGGRQHSA-N 0 3 198.310 1.276 20 0 ADADHN Cc1cc(CN2CCCC2)n(C)n1 306754433 345593064 /nfs/dbraw/zinc/59/30/64/345593064.db2.gz NPCAPOLSWPGWFB-UHFFFAOYSA-N 0 3 179.267 1.324 20 0 ADADHN CC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)N 306754047 345593093 /nfs/dbraw/zinc/59/30/93/345593093.db2.gz PGEVZIDDGSBUET-DJLDLDEBSA-N 0 3 184.283 1.029 20 0 ADADHN CC1(C)CCN(Cc2c[nH]cn2)C1 306758479 345594687 /nfs/dbraw/zinc/59/46/87/345594687.db2.gz OLFWSYHHOSIUGS-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN CC1(C)CCN(Cc2cnc[nH]2)C1 306758479 345594689 /nfs/dbraw/zinc/59/46/89/345594689.db2.gz OLFWSYHHOSIUGS-UHFFFAOYSA-N 0 3 179.267 1.642 20 0 ADADHN c1[nH]nc2c1CCN(CC1CC1)C2 306765615 345600441 /nfs/dbraw/zinc/60/04/41/345600441.db2.gz LOUKLMHMJCHBDM-UHFFFAOYSA-N 0 3 177.251 1.178 20 0 ADADHN CC[C@@](C)(N)c1cn(C2CC2)nn1 306782650 345611235 /nfs/dbraw/zinc/61/12/35/345611235.db2.gz FXHGHDVEHOBRLP-SECBINFHSA-N 0 3 180.255 1.197 20 0 ADADHN CC[C@](C)(N)c1cn(C2CC2)nn1 306782651 345611448 /nfs/dbraw/zinc/61/14/48/345611448.db2.gz FXHGHDVEHOBRLP-VIFPVBQESA-N 0 3 180.255 1.197 20 0 ADADHN Cc1occc1CN[C@@H]1CCOC1 306788964 345615789 /nfs/dbraw/zinc/61/57/89/345615789.db2.gz SMGNVOUAXDPFMJ-SNVBAGLBSA-N 0 3 181.235 1.467 20 0 ADADHN Cc1occc1CN[C@H]1CCOC1 306788963 345615958 /nfs/dbraw/zinc/61/59/58/345615958.db2.gz SMGNVOUAXDPFMJ-JTQLQIEISA-N 0 3 181.235 1.467 20 0 ADADHN C[C@H]1CSC[C@@H]1NCc1cc[nH]n1 306793088 345619071 /nfs/dbraw/zinc/61/90/71/345619071.db2.gz APKCKQVXRFPHPV-CBAPKCEASA-N 0 3 197.307 1.251 20 0 ADADHN C[C@H]1CSC[C@H]1NCc1cc[nH]n1 306793092 345619192 /nfs/dbraw/zinc/61/91/92/345619192.db2.gz APKCKQVXRFPHPV-IONNQARKSA-N 0 3 197.307 1.251 20 0 ADADHN CCCN1CCN(CC)C[C@H]1C 306797575 345621842 /nfs/dbraw/zinc/62/18/42/345621842.db2.gz YSFKDBIYAFVTJX-SNVBAGLBSA-N 0 3 170.300 1.422 20 0 ADADHN CCCN1CCN(CC)C[C@@H]1C 306797574 345621924 /nfs/dbraw/zinc/62/19/24/345621924.db2.gz YSFKDBIYAFVTJX-JTQLQIEISA-N 0 3 170.300 1.422 20 0 ADADHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H](C)N)C1 306819665 345634907 /nfs/dbraw/zinc/63/49/07/345634907.db2.gz HGSXNFCPFJNPGS-KXUCPTDWSA-N 0 3 198.310 1.371 20 0 ADADHN CC1(C)CCC2(CC1)COCCN2 306845713 345653586 /nfs/dbraw/zinc/65/35/86/345653586.db2.gz JCWOIPOIRAMBFT-UHFFFAOYSA-N 0 3 183.295 1.945 20 0 ADADHN C[C@H](N[C@H]1CCn2ccnc21)C1CC1 306848685 345655205 /nfs/dbraw/zinc/65/52/05/345655205.db2.gz MXFKJXGIDUZZFG-WPRPVWTQSA-N 0 3 191.278 1.716 20 0 ADADHN C[C@H](N[C@@H]1CCn2ccnc21)C1CC1 306848684 345655704 /nfs/dbraw/zinc/65/57/04/345655704.db2.gz MXFKJXGIDUZZFG-WCBMZHEXSA-N 0 3 191.278 1.716 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@H](C)CC1(C)C 306851089 345657230 /nfs/dbraw/zinc/65/72/30/345657230.db2.gz QDCFKBDEJUHMED-BDAKNGLRSA-N 0 3 198.310 1.371 20 0 ADADHN CC1(COC2CNC2)CCC1 306863427 345666361 /nfs/dbraw/zinc/66/63/61/345666361.db2.gz ISJHBZVFNRVZJG-UHFFFAOYSA-N 0 3 155.241 1.165 20 0 ADADHN c1cc2c(s1)CCN[C@]21CCOC1 306879330 345676109 /nfs/dbraw/zinc/67/61/09/345676109.db2.gz DSPROXHFRMNDHC-JTQLQIEISA-N 0 3 195.287 1.509 20 0 ADADHN c1cc2c(s1)CCN[C@@]21CCOC1 306879331 345676246 /nfs/dbraw/zinc/67/62/46/345676246.db2.gz DSPROXHFRMNDHC-SNVBAGLBSA-N 0 3 195.287 1.509 20 0 ADADHN C[C@H](N)C(=O)CC1=CCCC1 306889526 345686150 /nfs/dbraw/zinc/68/61/50/345686150.db2.gz UDSASXDAQLKHPN-ZETCQYMHSA-N 0 3 153.225 1.403 20 0 ADADHN C[C@@H](N)C(=O)CC1=CCCC1 306889525 345686164 /nfs/dbraw/zinc/68/61/64/345686164.db2.gz UDSASXDAQLKHPN-SSDOTTSWSA-N 0 3 153.225 1.403 20 0 ADADHN CC1(C)C[C@H](NCc2ccoc2)CO1 306898361 345690278 /nfs/dbraw/zinc/69/02/78/345690278.db2.gz XAEQEDOSPMWDGD-JTQLQIEISA-N 0 3 195.262 1.937 20 0 ADADHN CC1(C)C[C@@H](NCc2ccoc2)CO1 306898362 345690324 /nfs/dbraw/zinc/69/03/24/345690324.db2.gz XAEQEDOSPMWDGD-SNVBAGLBSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H](O)CN1CCC(C(F)F)CC1 306899228 345690924 /nfs/dbraw/zinc/69/09/24/345690924.db2.gz ZSXHVKNEQBHVDG-ZETCQYMHSA-N 0 3 193.237 1.344 20 0 ADADHN Cc1ccc(NC(=O)[C@H]2CCN2)cc1 306902210 345692224 /nfs/dbraw/zinc/69/22/24/345692224.db2.gz PXUGPDBVVGLAPB-SNVBAGLBSA-N 0 3 190.246 1.295 20 0 ADADHN Cc1cc(CN2CC[C@H](C)C2)[nH]n1 306931459 345705280 /nfs/dbraw/zinc/70/52/80/345705280.db2.gz BVXKIBMBSZTCQT-QMMMGPOBSA-N 0 3 179.267 1.560 20 0 ADADHN Cc1cc(CN2CC[C@H](C)C2)n[nH]1 306931459 345705281 /nfs/dbraw/zinc/70/52/81/345705281.db2.gz BVXKIBMBSZTCQT-QMMMGPOBSA-N 0 3 179.267 1.560 20 0 ADADHN Cc1cc(CN2CC[C@@H](C)C2)[nH]n1 306931452 345705341 /nfs/dbraw/zinc/70/53/41/345705341.db2.gz BVXKIBMBSZTCQT-MRVPVSSYSA-N 0 3 179.267 1.560 20 0 ADADHN Cc1cc(CN2CC[C@@H](C)C2)n[nH]1 306931452 345705343 /nfs/dbraw/zinc/70/53/43/345705343.db2.gz BVXKIBMBSZTCQT-MRVPVSSYSA-N 0 3 179.267 1.560 20 0 ADADHN CO[C@H](CN)c1ncc(C)s1 306940930 345709341 /nfs/dbraw/zinc/70/93/41/345709341.db2.gz QFUYXPZLLFBETO-ZCFIWIBFSA-N 0 3 172.253 1.098 20 0 ADADHN CO[C@@H](CN)c1ncc(C)s1 306940929 345709577 /nfs/dbraw/zinc/70/95/77/345709577.db2.gz QFUYXPZLLFBETO-LURJTMIESA-N 0 3 172.253 1.098 20 0 ADADHN Cc1cc(CN2CCC[C@H]2C)[nH]n1 306942984 345710119 /nfs/dbraw/zinc/71/01/19/345710119.db2.gz IQEBPNFYAKHAHE-SECBINFHSA-N 0 3 179.267 1.702 20 0 ADADHN Cc1cc(CN2CCC[C@H]2C)n[nH]1 306942984 345710120 /nfs/dbraw/zinc/71/01/20/345710120.db2.gz IQEBPNFYAKHAHE-SECBINFHSA-N 0 3 179.267 1.702 20 0 ADADHN Cc1cc(CN2CCC[C@@H]2C)[nH]n1 306942994 345710218 /nfs/dbraw/zinc/71/02/18/345710218.db2.gz IQEBPNFYAKHAHE-VIFPVBQESA-N 0 3 179.267 1.702 20 0 ADADHN Cc1cc(CN2CCC[C@@H]2C)n[nH]1 306942994 345710220 /nfs/dbraw/zinc/71/02/20/345710220.db2.gz IQEBPNFYAKHAHE-VIFPVBQESA-N 0 3 179.267 1.702 20 0 ADADHN C[C@@H]1O[C@H](C)C[C@@H]1NCCF 306948515 345713783 /nfs/dbraw/zinc/71/37/83/345713783.db2.gz TUYWHSGMFGRGLS-CSMHCCOUSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@@H]1C[C@@H](NCCF)[C@@H](C)O1 306948514 345713874 /nfs/dbraw/zinc/71/38/74/345713874.db2.gz TUYWHSGMFGRGLS-BWZBUEFSSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@@H]1O[C@H](C)C[C@H]1NCCF 306948516 345713924 /nfs/dbraw/zinc/71/39/24/345713924.db2.gz TUYWHSGMFGRGLS-GJMOJQLCSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@@H]1C[C@H](NCCF)[C@@H](C)O1 306948517 345714007 /nfs/dbraw/zinc/71/40/07/345714007.db2.gz TUYWHSGMFGRGLS-PRJMDXOYSA-N 0 3 161.220 1.111 20 0 ADADHN CC[C@H]1CN(CC2CCC2)CCO1 306953336 345716625 /nfs/dbraw/zinc/71/66/25/345716625.db2.gz IAIIFRPKSVUMNA-NSHDSACASA-N 0 3 183.295 1.897 20 0 ADADHN CC[C@@H]1CN(CC2CCC2)CCO1 306953335 345716733 /nfs/dbraw/zinc/71/67/33/345716733.db2.gz IAIIFRPKSVUMNA-LLVKDONJSA-N 0 3 183.295 1.897 20 0 ADADHN CC1CC(N[C@@H](C)c2ccncn2)C1 306969179 345725193 /nfs/dbraw/zinc/72/51/93/345725193.db2.gz IGYISVFOTPVGSC-KYHHOPLUSA-N 0 3 191.278 1.926 20 0 ADADHN CC1CC(N[C@H](C)c2ccncn2)C1 306969174 345725238 /nfs/dbraw/zinc/72/52/38/345725238.db2.gz IGYISVFOTPVGSC-HWOCKDDLSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@H]1N(CCCF)CCOC1(C)C 306975086 345728603 /nfs/dbraw/zinc/72/86/03/345728603.db2.gz ZBSLPDFEDUBOTE-SECBINFHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@@H](C)[C@@H]1NCCc2nc[nH]c21 306984243 345733915 /nfs/dbraw/zinc/73/39/15/345733915.db2.gz LSUXKBJEUOFPTI-APPZFPTMSA-N 0 3 179.267 1.643 20 0 ADADHN CC[C@H](C)[C@@H]1NCCc2nc[nH]c21 306984244 345734038 /nfs/dbraw/zinc/73/40/38/345734038.db2.gz LSUXKBJEUOFPTI-CBAPKCEASA-N 0 3 179.267 1.643 20 0 ADADHN CC[C@@H](C)[C@H]1NCCc2nc[nH]c21 306984248 345734354 /nfs/dbraw/zinc/73/43/54/345734354.db2.gz LSUXKBJEUOFPTI-VXNVDRBHSA-N 0 3 179.267 1.643 20 0 ADADHN CC[C@H](C)[C@H]1NCCc2nc[nH]c21 306984246 345734360 /nfs/dbraw/zinc/73/43/60/345734360.db2.gz LSUXKBJEUOFPTI-IONNQARKSA-N 0 3 179.267 1.643 20 0 ADADHN C[C@]1(F)CCN(CC2(O)CCC2)C1 306991308 345738253 /nfs/dbraw/zinc/73/82/53/345738253.db2.gz UYXBDQRDWGYKCN-VIFPVBQESA-N 0 3 187.258 1.335 20 0 ADADHN C[C@@]1(F)CCN(CC2(O)CCC2)C1 306991307 345738443 /nfs/dbraw/zinc/73/84/43/345738443.db2.gz UYXBDQRDWGYKCN-SECBINFHSA-N 0 3 187.258 1.335 20 0 ADADHN CC[C@H]1CCN(Cc2cc[nH]n2)C1 306995858 345741029 /nfs/dbraw/zinc/74/10/29/345741029.db2.gz REAFJYOVQLLMPJ-VIFPVBQESA-N 0 3 179.267 1.642 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CC=CCC1 307003782 345745817 /nfs/dbraw/zinc/74/58/17/345745817.db2.gz CWMWLLUYMKXQMV-JTQLQIEISA-N 0 3 191.278 1.916 20 0 ADADHN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)N 307016692 345754801 /nfs/dbraw/zinc/75/48/01/345754801.db2.gz PGEVZIDDGSBUET-VGMNWLOBSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)N 307016691 345754950 /nfs/dbraw/zinc/75/49/50/345754950.db2.gz PGEVZIDDGSBUET-IWSPIJDZSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)N 307016687 345755020 /nfs/dbraw/zinc/75/50/20/345755020.db2.gz PGEVZIDDGSBUET-HLTSFMKQSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)N 307016689 345755105 /nfs/dbraw/zinc/75/51/05/345755105.db2.gz PGEVZIDDGSBUET-HRDYMLBCSA-N 0 3 184.283 1.029 20 0 ADADHN CC1CC(NC(=O)[C@H](N)C2CCC2)C1 307019715 345757286 /nfs/dbraw/zinc/75/72/86/345757286.db2.gz VMJCNODUMVWPKI-YXGXMSFMSA-N 0 3 196.294 1.029 20 0 ADADHN CC1CC(NC(=O)[C@@H](N)C2CCC2)C1 307019714 345757472 /nfs/dbraw/zinc/75/74/72/345757472.db2.gz VMJCNODUMVWPKI-GDRRJGKNSA-N 0 3 196.294 1.029 20 0 ADADHN c1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 307029175 345764825 /nfs/dbraw/zinc/76/48/25/345764825.db2.gz LXQSBDZWAYLAIY-DVVUODLYSA-N 0 3 191.278 1.688 20 0 ADADHN c1cc(CN[C@H]2CCC[C@@H]3C[C@H]23)n[nH]1 307029176 345764959 /nfs/dbraw/zinc/76/49/59/345764959.db2.gz LXQSBDZWAYLAIY-MIMYLULJSA-N 0 3 191.278 1.688 20 0 ADADHN CC1(C)CCC[C@@]2(COCCN2)C1 307029899 345765807 /nfs/dbraw/zinc/76/58/07/345765807.db2.gz DAEIXBGPNYPEJL-NSHDSACASA-N 0 3 183.295 1.945 20 0 ADADHN CC1(C)CCC[C@]2(COCCN2)C1 307029898 345765890 /nfs/dbraw/zinc/76/58/90/345765890.db2.gz DAEIXBGPNYPEJL-LLVKDONJSA-N 0 3 183.295 1.945 20 0 ADADHN CCCN1CCOCC12CC2 307030441 345766373 /nfs/dbraw/zinc/76/63/73/345766373.db2.gz PKGWCTPBOXEOQN-UHFFFAOYSA-N 0 3 155.241 1.261 20 0 ADADHN CNC1(C(=O)N2CCC[C@H]2C)CCC1 307031605 345766702 /nfs/dbraw/zinc/76/67/02/345766702.db2.gz QSDDFFWGLOENOK-SECBINFHSA-N 0 3 196.294 1.139 20 0 ADADHN CNC1(C(=O)N2CCC[C@@H]2C)CCC1 307031607 345766790 /nfs/dbraw/zinc/76/67/90/345766790.db2.gz QSDDFFWGLOENOK-VIFPVBQESA-N 0 3 196.294 1.139 20 0 ADADHN C[C@H]1CN(CCC2CC2)CCO1 307039748 345771649 /nfs/dbraw/zinc/77/16/49/345771649.db2.gz QGXHRBJZPBDMIO-VIFPVBQESA-N 0 3 169.268 1.507 20 0 ADADHN CC[C@H]1CO[C@H](C)CN1CC1CC1 307071818 345792702 /nfs/dbraw/zinc/79/27/02/345792702.db2.gz XSQAUNLQKAHTMZ-KOLCDFICSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@@H]1CO[C@@H](C)CN1CC1CC1 307071817 345792758 /nfs/dbraw/zinc/79/27/58/345792758.db2.gz XSQAUNLQKAHTMZ-GXSJLCMTSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1COCCN1CC1(C)CCC1 307071578 345792951 /nfs/dbraw/zinc/79/29/51/345792951.db2.gz XLIZYLGGBWFZOJ-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN CC[C@H]1CO[C@@H](C)CN1CC1CC1 307071820 345793436 /nfs/dbraw/zinc/79/34/36/345793436.db2.gz XSQAUNLQKAHTMZ-ONGXEEELSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@@H]1CO[C@H](C)CN1CC1CC1 307071819 345793592 /nfs/dbraw/zinc/79/35/92/345793592.db2.gz XSQAUNLQKAHTMZ-MWLCHTKSSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@H](C)N[C@H]1CCn2ccnc21 307073795 345794542 /nfs/dbraw/zinc/79/45/42/345794542.db2.gz ADBJZAIFSZOYCU-IUCAKERBSA-N 0 3 179.267 1.716 20 0 ADADHN CC[C@H](C)N[C@@H]1CCn2ccnc21 307073791 345794655 /nfs/dbraw/zinc/79/46/55/345794655.db2.gz ADBJZAIFSZOYCU-DTWKUNHWSA-N 0 3 179.267 1.716 20 0 ADADHN Cc1cnn(C)c1CN[C@H]1CC1(C)C 307084422 345800532 /nfs/dbraw/zinc/80/05/32/345800532.db2.gz LIVNRYAEGSAOHT-JTQLQIEISA-N 0 3 193.294 1.617 20 0 ADADHN FCCN[C@@H]1CCOC2(CCC2)C1 307087587 345802125 /nfs/dbraw/zinc/80/21/25/345802125.db2.gz LOCGZTXBDHPQLD-SECBINFHSA-N 0 3 187.258 1.647 20 0 ADADHN FCCN[C@H]1CCOC2(CCC2)C1 307087772 345803029 /nfs/dbraw/zinc/80/30/29/345803029.db2.gz LOCGZTXBDHPQLD-VIFPVBQESA-N 0 3 187.258 1.647 20 0 ADADHN Cc1ccc(CNC(C)(C)C)nn1 307088019 345803152 /nfs/dbraw/zinc/80/31/52/345803152.db2.gz MBEQKSMCMGBVCR-UHFFFAOYSA-N 0 3 179.267 1.673 20 0 ADADHN CC[C@@]1(C)CCN(C(=O)C(C)(C)N)C1 307089732 345803971 /nfs/dbraw/zinc/80/39/71/345803971.db2.gz VODCWBZYFCMREF-NSHDSACASA-N 0 3 198.310 1.372 20 0 ADADHN Cc1ccc(CNC2CCCC2)nn1 307089543 345804259 /nfs/dbraw/zinc/80/42/59/345804259.db2.gz OQFCSFUZONGFAQ-UHFFFAOYSA-N 0 3 191.278 1.817 20 0 ADADHN CC[C@]1(C)CCN(C(=O)C(C)(C)N)C1 307089726 345804311 /nfs/dbraw/zinc/80/43/11/345804311.db2.gz VODCWBZYFCMREF-LLVKDONJSA-N 0 3 198.310 1.372 20 0 ADADHN CCSCCN[C@H](C)CF 307098969 345808948 /nfs/dbraw/zinc/80/89/48/345808948.db2.gz RIHWYDHEABZDFA-SSDOTTSWSA-N 0 3 165.277 1.687 20 0 ADADHN CCSCCN[C@@H](C)CF 307098972 345809341 /nfs/dbraw/zinc/80/93/41/345809341.db2.gz RIHWYDHEABZDFA-ZETCQYMHSA-N 0 3 165.277 1.687 20 0 ADADHN Cc1cccc(CN(C)C2CC2)n1 307100922 345810410 /nfs/dbraw/zinc/81/04/10/345810410.db2.gz UIWXQQNZTSDNEU-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN CC1CCC(C)(NC(=O)CN)CC1 307108717 345814869 /nfs/dbraw/zinc/81/48/69/345814869.db2.gz BGUORFKDPBTAST-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CCCCN1C[C@@H](C)OC[C@H]1C 307110155 345815538 /nfs/dbraw/zinc/81/55/38/345815538.db2.gz BRYLIXFBAVZYCU-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CC1(CN2CCSCC2)CC1 307110672 345815542 /nfs/dbraw/zinc/81/55/42/345815542.db2.gz BVEVADHCJBDHMP-UHFFFAOYSA-N 0 3 171.309 1.835 20 0 ADADHN CCCCN1C[C@H](C)OC[C@H]1C 307110156 345815747 /nfs/dbraw/zinc/81/57/47/345815747.db2.gz BRYLIXFBAVZYCU-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN CNCC(=O)NC1(C)CCC(C)CC1 307112990 345816953 /nfs/dbraw/zinc/81/69/53/345816953.db2.gz MHRQTUPRPPWDLP-UHFFFAOYSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@@]1(C)CCN(C(=O)C2(N)CC2)C1 307114305 345817416 /nfs/dbraw/zinc/81/74/16/345817416.db2.gz BQGXMZVMBQJEAE-JTQLQIEISA-N 0 3 196.294 1.126 20 0 ADADHN CC[C@]1(C)CCN(C(=O)C2(N)CC2)C1 307114306 345817584 /nfs/dbraw/zinc/81/75/84/345817584.db2.gz BQGXMZVMBQJEAE-SNVBAGLBSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@]1(NCc2cc[nH]n2)CC=CCC1 307116476 345819184 /nfs/dbraw/zinc/81/91/84/345819184.db2.gz FQELXXFBDTUDBY-NSHDSACASA-N 0 3 191.278 1.998 20 0 ADADHN C[C@@]1(NCc2cc[nH]n2)CC=CCC1 307116475 345819223 /nfs/dbraw/zinc/81/92/23/345819223.db2.gz FQELXXFBDTUDBY-LLVKDONJSA-N 0 3 191.278 1.998 20 0 ADADHN C[C@H]1CN(CCCF)CC(C)(C)O1 307124323 345823732 /nfs/dbraw/zinc/82/37/32/345823732.db2.gz YIWHXPOQNYVGHZ-VIFPVBQESA-N 0 3 189.274 1.845 20 0 ADADHN CCc1nocc1CN1CCCC1 307133981 345829180 /nfs/dbraw/zinc/82/91/80/345829180.db2.gz NHORBCFZSLVSJE-UHFFFAOYSA-N 0 3 180.251 1.833 20 0 ADADHN CN(Cc1cnc[nH]1)C1CC1 307135407 345830639 /nfs/dbraw/zinc/83/06/39/345830639.db2.gz QTPZJTORLYTWBC-UHFFFAOYSA-N 0 3 151.213 1.004 20 0 ADADHN CCn1nccc1CN1CCCC1 307135953 345830700 /nfs/dbraw/zinc/83/07/00/345830700.db2.gz SIXBEYSCGDYIPE-UHFFFAOYSA-N 0 3 179.267 1.499 20 0 ADADHN CN(C[C@H]1CCCO1)C1CC1 307137149 345832159 /nfs/dbraw/zinc/83/21/59/345832159.db2.gz WKZSLKRRVQSDGI-SECBINFHSA-N 0 3 155.241 1.260 20 0 ADADHN CCN1CCc2nc(Cl)ncc2C1 307141642 345835069 /nfs/dbraw/zinc/83/50/69/345835069.db2.gz DHYOTKHWZFVKIC-UHFFFAOYSA-N 0 3 197.669 1.508 20 0 ADADHN C1=C(COC2CNC2)CCC1 307147904 345840746 /nfs/dbraw/zinc/84/07/46/345840746.db2.gz OUIWBAGYIDYARZ-UHFFFAOYSA-N 0 3 153.225 1.085 20 0 ADADHN CC(=O)CN1C[C@H]2[C@@H](C1)C2(C)C 307148360 345841579 /nfs/dbraw/zinc/84/15/79/345841579.db2.gz QBPYXHDOLRPGHW-DTORHVGOSA-N 0 3 167.252 1.163 20 0 ADADHN C[C@H]1CN(CC2CCCC2)CCO1 307155017 345847293 /nfs/dbraw/zinc/84/72/93/345847293.db2.gz VGGLDFOHJDFIFV-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN Cc1cc(CNC(C)C)sn1 307155495 345847674 /nfs/dbraw/zinc/84/76/74/345847674.db2.gz VQXKRRVWNKSZDG-UHFFFAOYSA-N 0 3 170.281 1.950 20 0 ADADHN CC1(C)C[C@@H]1NCC1(F)CC1 307170091 345863079 /nfs/dbraw/zinc/86/30/79/345863079.db2.gz ZVLFCRAXHMIFRY-ZETCQYMHSA-N 0 3 157.232 1.877 20 0 ADADHN CC1(C)C[C@H]1NCC1(F)CC1 307170090 345862934 /nfs/dbraw/zinc/86/29/34/345862934.db2.gz ZVLFCRAXHMIFRY-SSDOTTSWSA-N 0 3 157.232 1.877 20 0 ADADHN Cc1ncccc1CN1CCCC1 307173042 345864595 /nfs/dbraw/zinc/86/45/95/345864595.db2.gz OBGGEWVDQPWSGG-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CC(=O)CN1CCC2(CCC2)C1 307179920 345869803 /nfs/dbraw/zinc/86/98/03/345869803.db2.gz KXBVRCZOCCEFOU-UHFFFAOYSA-N 0 3 167.252 1.451 20 0 ADADHN CNCC(=O)N1CC[C@H](C)C[C@H](C)C1 307190993 345876518 /nfs/dbraw/zinc/87/65/18/345876518.db2.gz KCBZIQOOPZHKDE-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN CNCC(=O)N1CC[C@H](C)C[C@@H](C)C1 307190999 345876574 /nfs/dbraw/zinc/87/65/74/345876574.db2.gz KCBZIQOOPZHKDE-VHSXEESVSA-N 0 3 198.310 1.100 20 0 ADADHN CNCC(=O)N1CC[C@@H](C)C[C@H](C)C1 307191003 345876644 /nfs/dbraw/zinc/87/66/44/345876644.db2.gz KCBZIQOOPZHKDE-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN CC(C)N(C)Cc1cnc[nH]1 307190716 345876663 /nfs/dbraw/zinc/87/66/63/345876663.db2.gz ZWGWLRRRPVMWIN-UHFFFAOYSA-N 0 3 153.229 1.250 20 0 ADADHN CCCN1CC(C)(C)OC[C@@H]1C 307191125 345877219 /nfs/dbraw/zinc/87/72/19/345877219.db2.gz KGCYDYGJPFTSRB-VIFPVBQESA-N 0 3 171.284 1.896 20 0 ADADHN C[C@H]1C[C@H]1CN1CCOC(C)(C)C1 307191912 345877887 /nfs/dbraw/zinc/87/78/87/345877887.db2.gz KZYPSEMJMWKWMZ-UWVGGRQHSA-N 0 3 183.295 1.753 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCOC(C)(C)C1 307191913 345878011 /nfs/dbraw/zinc/87/80/11/345878011.db2.gz KZYPSEMJMWKWMZ-VHSXEESVSA-N 0 3 183.295 1.753 20 0 ADADHN Cc1nc(CN2CCC[C@@H]2C)n[nH]1 307194181 345880002 /nfs/dbraw/zinc/88/00/02/345880002.db2.gz OVGZQTMJJFZNSN-ZETCQYMHSA-N 0 3 180.255 1.097 20 0 ADADHN Cc1nc(CN2CCC[C@H]2C)n[nH]1 307194180 345880021 /nfs/dbraw/zinc/88/00/21/345880021.db2.gz OVGZQTMJJFZNSN-SSDOTTSWSA-N 0 3 180.255 1.097 20 0 ADADHN CN(CCF)C1CCCC1 307194927 345880586 /nfs/dbraw/zinc/88/05/86/345880586.db2.gz QNOQXBVULJFOPP-UHFFFAOYSA-N 0 3 145.221 1.830 20 0 ADADHN Cc1cn[nH]c1CN(C)C1CC1 307200379 345885121 /nfs/dbraw/zinc/88/51/21/345885121.db2.gz DBAKCQQNTTYAMI-UHFFFAOYSA-N 0 3 165.240 1.312 20 0 ADADHN Cc1c[nH]nc1CNC1CCCC1 307202219 345886166 /nfs/dbraw/zinc/88/61/66/345886166.db2.gz CNZLHQMOJKHMSW-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN CC[C@@H](F)CN1CCC[C@H](O)CC1 307206676 345890335 /nfs/dbraw/zinc/89/03/35/345890335.db2.gz HTFVRQVRUPRWGX-ZJUUUORDSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@H](F)CN1CCC[C@H](O)CC1 307206674 345890423 /nfs/dbraw/zinc/89/04/23/345890423.db2.gz HTFVRQVRUPRWGX-UWVGGRQHSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@H](F)CN1CCC[C@@H](O)CC1 307206675 345890439 /nfs/dbraw/zinc/89/04/39/345890439.db2.gz HTFVRQVRUPRWGX-VHSXEESVSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@@H](F)CN1CCC[C@@H](O)CC1 307206673 345890646 /nfs/dbraw/zinc/89/06/46/345890646.db2.gz HTFVRQVRUPRWGX-NXEZZACHSA-N 0 3 189.274 1.581 20 0 ADADHN CC(C)N[C@H]1CCCc2c[nH]nc21 307213687 345895896 /nfs/dbraw/zinc/89/58/96/345895896.db2.gz YHCDTCLFYIKULX-VIFPVBQESA-N 0 3 179.267 1.785 20 0 ADADHN CC(C)N[C@@H]1CCCc2c[nH]nc21 307213686 345896120 /nfs/dbraw/zinc/89/61/20/345896120.db2.gz YHCDTCLFYIKULX-SECBINFHSA-N 0 3 179.267 1.785 20 0 ADADHN CO[C@@H](C)[C@@H]1NCCc2sccc21 307218431 345898806 /nfs/dbraw/zinc/89/88/06/345898806.db2.gz VOVNOFGMDZEZAW-XVKPBYJWSA-N 0 3 197.303 1.970 20 0 ADADHN CO[C@H](C)[C@H]1NCCc2sccc21 307218428 345898887 /nfs/dbraw/zinc/89/88/87/345898887.db2.gz VOVNOFGMDZEZAW-GMSGAONNSA-N 0 3 197.303 1.970 20 0 ADADHN CO[C@H](C)[C@@H]1NCCc2sccc21 307218430 345899054 /nfs/dbraw/zinc/89/90/54/345899054.db2.gz VOVNOFGMDZEZAW-XCBNKYQSSA-N 0 3 197.303 1.970 20 0 ADADHN CO[C@@H](C)[C@H]1NCCc2sccc21 307218429 345899112 /nfs/dbraw/zinc/89/91/12/345899112.db2.gz VOVNOFGMDZEZAW-OIBJUYFYSA-N 0 3 197.303 1.970 20 0 ADADHN CC(C)[C@H](N)C(=O)N1CCC12CCC2 307222767 345901713 /nfs/dbraw/zinc/90/17/13/345901713.db2.gz RDCVXYOLKJWGBI-VIFPVBQESA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@H](N)C1CCC1 307228208 345905206 /nfs/dbraw/zinc/90/52/06/345905206.db2.gz HASSXHZHSNIUQG-WCBMZHEXSA-N 0 3 196.294 1.125 20 0 ADADHN Cc1cscc1NC(=O)C(C)(C)N 307227910 345905241 /nfs/dbraw/zinc/90/52/41/345905241.db2.gz XIMACTFPWJOQHL-UHFFFAOYSA-N 0 3 198.291 1.732 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@@H](N)C1CCC1 307228209 345905485 /nfs/dbraw/zinc/90/54/85/345905485.db2.gz HASSXHZHSNIUQG-WPRPVWTQSA-N 0 3 196.294 1.125 20 0 ADADHN Cc1ccncc1CN(C)C1CC1 307231392 345908204 /nfs/dbraw/zinc/90/82/04/345908204.db2.gz BEYFPPCZXYGIBR-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN CCn1cc(CN2CCCCC2)cn1 307235727 345912065 /nfs/dbraw/zinc/91/20/65/345912065.db2.gz NHBWIGZGURXXRJ-UHFFFAOYSA-N 0 3 193.294 1.889 20 0 ADADHN CCC(=O)[C@@H](N)C1CCC1 307237888 345913488 /nfs/dbraw/zinc/91/34/88/345913488.db2.gz XYWNWDJFSWIRIT-QMMMGPOBSA-N 0 3 141.214 1.093 20 0 ADADHN CCC(=O)[C@H](N)C1CCC1 307237887 345913712 /nfs/dbraw/zinc/91/37/12/345913712.db2.gz XYWNWDJFSWIRIT-MRVPVSSYSA-N 0 3 141.214 1.093 20 0 ADADHN c1nc(CN[C@H]2CCC[C@@H]3C[C@H]23)n[nH]1 307244901 345918834 /nfs/dbraw/zinc/91/88/34/345918834.db2.gz LUBFRHALBHRQFW-VGMNWLOBSA-N 0 3 192.266 1.083 20 0 ADADHN Cc1cc(CN[C@H]2CCOC2)ccn1 307249445 345921529 /nfs/dbraw/zinc/92/15/29/345921529.db2.gz JLOVDUVAJREEGX-NSHDSACASA-N 0 3 192.262 1.269 20 0 ADADHN Cc1cc(CN[C@@H]2CCOC2)ccn1 307249444 345921734 /nfs/dbraw/zinc/92/17/34/345921734.db2.gz JLOVDUVAJREEGX-LLVKDONJSA-N 0 3 192.262 1.269 20 0 ADADHN CCSCSCCN(C)C 307251948 345923659 /nfs/dbraw/zinc/92/36/59/345923659.db2.gz REQXNVYINFGAJO-UHFFFAOYSA-N 0 3 179.354 1.992 20 0 ADADHN CN(Cc1c[nH]cn1)C1CCCC1 307257052 345928231 /nfs/dbraw/zinc/92/82/31/345928231.db2.gz AUDHDUZALXDIJY-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN CN(Cc1cnc[nH]1)C1CCCC1 307257052 345928235 /nfs/dbraw/zinc/92/82/35/345928235.db2.gz AUDHDUZALXDIJY-UHFFFAOYSA-N 0 3 179.267 1.784 20 0 ADADHN CCCN1CCC[C@](F)(CO)C1 307258627 345929526 /nfs/dbraw/zinc/92/95/26/345929526.db2.gz CDIJQGDTAWPJMK-SECBINFHSA-N 0 3 175.247 1.193 20 0 ADADHN CCCN1CCC[C@@](F)(CO)C1 307258628 345929535 /nfs/dbraw/zinc/92/95/35/345929535.db2.gz CDIJQGDTAWPJMK-VIFPVBQESA-N 0 3 175.247 1.193 20 0 ADADHN CN[C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C 307263124 345933400 /nfs/dbraw/zinc/93/34/00/345933400.db2.gz YBSDBTIIFKZXMI-BBBLOLIVSA-N 0 3 198.310 1.384 20 0 ADADHN COC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C 307264637 345933707 /nfs/dbraw/zinc/93/37/07/345933707.db2.gz KCWWQHPXECZKLB-CIUDSAMLSA-N 0 3 185.267 1.136 20 0 ADADHN COC(=O)CN1C[C@H](C)[C@H](C)[C@H]1C 307264647 345934401 /nfs/dbraw/zinc/93/44/01/345934401.db2.gz KCWWQHPXECZKLB-XHNCKOQMSA-N 0 3 185.267 1.136 20 0 ADADHN COC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C 307264652 345934505 /nfs/dbraw/zinc/93/45/05/345934505.db2.gz KCWWQHPXECZKLB-YIZRAAEISA-N 0 3 185.267 1.136 20 0 ADADHN C[C@H](N)C(=O)N1CCC[C@H]1C1CCC1 307265771 345935036 /nfs/dbraw/zinc/93/50/36/345935036.db2.gz GDILKGWPXONKIW-WPRPVWTQSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H](N)C(=O)N1CCC[C@@H]1C1CCC1 307265769 345935053 /nfs/dbraw/zinc/93/50/53/345935053.db2.gz GDILKGWPXONKIW-WCBMZHEXSA-N 0 3 196.294 1.125 20 0 ADADHN CC[C@@H]1CN(C/C=C/Cl)C[C@@H]1O 307266369 345935726 /nfs/dbraw/zinc/93/57/26/345935726.db2.gz DFSNWLPWIHXEDS-BKIAHZASSA-N 0 3 189.686 1.442 20 0 ADADHN CC[C@@H]1CN(C/C=C/Cl)C[C@H]1O 307266372 345935774 /nfs/dbraw/zinc/93/57/74/345935774.db2.gz DFSNWLPWIHXEDS-HUGTUPKYSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@H]1CSCCN1CCCF 307283973 345946434 /nfs/dbraw/zinc/94/64/34/345946434.db2.gz KMKXIISFRLLWPD-QMMMGPOBSA-N 0 3 177.288 1.783 20 0 ADADHN C[C@@H]1CCC[C@H](C[C@@H](N)C(N)=O)C1 307294829 345952360 /nfs/dbraw/zinc/95/23/60/345952360.db2.gz NMGUHUMEWAPAQR-HRDYMLBCSA-N 0 3 184.283 1.015 20 0 ADADHN C[C@@H]1CCC[C@@H](C[C@H](N)C(N)=O)C1 307294816 345952443 /nfs/dbraw/zinc/95/24/43/345952443.db2.gz NMGUHUMEWAPAQR-HLTSFMKQSA-N 0 3 184.283 1.015 20 0 ADADHN C[C@@H]1CCC[C@H](C[C@H](N)C(N)=O)C1 307294837 345952488 /nfs/dbraw/zinc/95/24/88/345952488.db2.gz NMGUHUMEWAPAQR-VGMNWLOBSA-N 0 3 184.283 1.015 20 0 ADADHN C[C@@H]1CCC[C@@H](C[C@@H](N)C(N)=O)C1 307294835 345952534 /nfs/dbraw/zinc/95/25/34/345952534.db2.gz NMGUHUMEWAPAQR-IWSPIJDZSA-N 0 3 184.283 1.015 20 0 ADADHN Cc1ncc(CNC2CC(C)C2)o1 307300042 345955247 /nfs/dbraw/zinc/95/52/47/345955247.db2.gz BSTKIHWPRVMVFN-UHFFFAOYSA-N 0 3 180.251 1.871 20 0 ADADHN C[C@H]1COC(C)(C)CN1CCCF 307300259 345955480 /nfs/dbraw/zinc/95/54/80/345955480.db2.gz VXGDPBCXKMWLAW-VIFPVBQESA-N 0 3 189.274 1.845 20 0 ADADHN CC1(C)CC(NCc2cc[nH]n2)C1 307301237 345955904 /nfs/dbraw/zinc/95/59/04/345955904.db2.gz XKIWNMXTIGERPR-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN c1c[nH]c(CN[C@H]2CCC[C@@H]3C[C@H]23)n1 307305534 345959428 /nfs/dbraw/zinc/95/94/28/345959428.db2.gz CHDSPSVETYEATA-UTLUCORTSA-N 0 3 191.278 1.688 20 0 ADADHN CC[C@H]1CCN(Cc2c[nH]cn2)C1 307305354 345959589 /nfs/dbraw/zinc/95/95/89/345959589.db2.gz XFCRTCVODMMQSC-VIFPVBQESA-N 0 3 179.267 1.642 20 0 ADADHN CC[C@H]1CCN(Cc2cnc[nH]2)C1 307305354 345959590 /nfs/dbraw/zinc/95/95/90/345959590.db2.gz XFCRTCVODMMQSC-VIFPVBQESA-N 0 3 179.267 1.642 20 0 ADADHN c1c[nH]c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 307305532 345959608 /nfs/dbraw/zinc/95/96/08/345959608.db2.gz CHDSPSVETYEATA-KXUCPTDWSA-N 0 3 191.278 1.688 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H]1CCC[C@H](C)C1 307320159 345968777 /nfs/dbraw/zinc/96/87/77/345968777.db2.gz USAARDVNARBQDR-GUBZILKMSA-N 0 3 198.310 1.289 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)C1 307320160 345968826 /nfs/dbraw/zinc/96/88/26/345968826.db2.gz USAARDVNARBQDR-LPEHRKFASA-N 0 3 198.310 1.289 20 0 ADADHN Cc1cnn(C)c1CNC1CCC1 307323670 345971064 /nfs/dbraw/zinc/97/10/64/345971064.db2.gz JETHNBKRPZFDBO-UHFFFAOYSA-N 0 3 179.267 1.371 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cnns1 307327429 345974073 /nfs/dbraw/zinc/97/40/73/345974073.db2.gz OVUGLAWGVDTVLO-IONNQARKSA-N 0 3 197.307 1.816 20 0 ADADHN CC1(C)CC[C@@H]1NCc1cc[nH]n1 307351822 345988764 /nfs/dbraw/zinc/98/87/64/345988764.db2.gz UUOIWZGPIZPZSF-VIFPVBQESA-N 0 3 179.267 1.688 20 0 ADADHN CC1(C)CC[C@H]1NCc1cc[nH]n1 307351821 345988795 /nfs/dbraw/zinc/98/87/95/345988795.db2.gz UUOIWZGPIZPZSF-SECBINFHSA-N 0 3 179.267 1.688 20 0 ADADHN CO[C@H](CN)c1csc(C)c1 307356537 345991630 /nfs/dbraw/zinc/99/16/30/345991630.db2.gz VMPMOKYCBAZYRL-MRVPVSSYSA-N 0 3 171.265 1.703 20 0 ADADHN CO[C@@H](CN)c1csc(C)c1 307356538 345991648 /nfs/dbraw/zinc/99/16/48/345991648.db2.gz VMPMOKYCBAZYRL-QMMMGPOBSA-N 0 3 171.265 1.703 20 0 ADADHN CC[C@H](N)C(=O)N1CCC2(CCC2)C1 307370616 346000072 /nfs/dbraw/zinc/00/00/72/346000072.db2.gz PAXURNNGONDKGM-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN C[C@H]1C[C@H](NCCF)C[C@@H](C)O1 307372368 346001329 /nfs/dbraw/zinc/00/13/29/346001329.db2.gz UXPOOLLJKMYVPT-AYMMMOKOSA-N 0 3 175.247 1.502 20 0 ADADHN Cc1csc(CN[C@@H]2CCOC2)c1 307387246 346010128 /nfs/dbraw/zinc/01/01/28/346010128.db2.gz MMTKIDLOVBYZBI-SECBINFHSA-N 0 3 197.303 1.935 20 0 ADADHN CC[C@H](C)CN1CCO[C@H](C)C1 307390849 346011770 /nfs/dbraw/zinc/01/17/70/346011770.db2.gz ULLXDROIPPNNDJ-VHSXEESVSA-N 0 3 171.284 1.753 20 0 ADADHN CC[C@]1(C)CCCN(C(=O)[C@H](C)N)C1 307398193 346016951 /nfs/dbraw/zinc/01/69/51/346016951.db2.gz SNAVUAAWBVNWQP-GXSJLCMTSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@]1(C)CCCN(C(=O)[C@H](C)N)C1 307398194 346016976 /nfs/dbraw/zinc/01/69/76/346016976.db2.gz SNAVUAAWBVNWQP-ONGXEEELSA-N 0 3 198.310 1.372 20 0 ADADHN CC(=O)CN1C[C@H](C)[C@H](C)[C@H]1C 307398926 346017381 /nfs/dbraw/zinc/01/73/81/346017381.db2.gz ZPFVAIYPJQBNDK-UJNFCWOMSA-N 0 3 169.268 1.552 20 0 ADADHN CC(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C 307398923 346017400 /nfs/dbraw/zinc/01/74/00/346017400.db2.gz ZPFVAIYPJQBNDK-FXBDTBDDSA-N 0 3 169.268 1.552 20 0 ADADHN CC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C 307398925 346017437 /nfs/dbraw/zinc/01/74/37/346017437.db2.gz ZPFVAIYPJQBNDK-SFGNSQDASA-N 0 3 169.268 1.552 20 0 ADADHN CC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C 307398924 346017580 /nfs/dbraw/zinc/01/75/80/346017580.db2.gz ZPFVAIYPJQBNDK-HGNGGELXSA-N 0 3 169.268 1.552 20 0 ADADHN CC[C@H]1CCN(Cc2ccno2)C1 307410393 346026606 /nfs/dbraw/zinc/02/66/06/346026606.db2.gz GLMLJHAVMMFVNC-VIFPVBQESA-N 0 3 180.251 1.907 20 0 ADADHN Cc1nc(C)c(NC(=O)[C@@H](C)N)s1 307414736 346029204 /nfs/dbraw/zinc/02/92/04/346029204.db2.gz MEZVXXFKTHQGPK-SCSAIBSYSA-N 0 3 199.279 1.046 20 0 ADADHN CCC1CCC2(CC1)COCCN2 307425657 346034207 /nfs/dbraw/zinc/03/42/07/346034207.db2.gz QRZXNCXQAQNBPL-UHFFFAOYSA-N 0 3 183.295 1.945 20 0 ADADHN CC1(C)CN(Cc2ccco2)C[C@@H]1O 307432400 346036887 /nfs/dbraw/zinc/03/68/87/346036887.db2.gz ZEULJDYPADRRDK-JTQLQIEISA-N 0 3 195.262 1.482 20 0 ADADHN CC1(C)CN(Cc2ccco2)C[C@H]1O 307432401 346036965 /nfs/dbraw/zinc/03/69/65/346036965.db2.gz ZEULJDYPADRRDK-SNVBAGLBSA-N 0 3 195.262 1.482 20 0 ADADHN Cc1cnn(CCN2CCCCC2)c1 307435598 346038448 /nfs/dbraw/zinc/03/84/48/346038448.db2.gz RYLNEYVLVQPFIT-UHFFFAOYSA-N 0 3 193.294 1.677 20 0 ADADHN C[C@@]1(F)CCN(CC2CC2)C1 307439288 346040529 /nfs/dbraw/zinc/04/05/29/346040529.db2.gz NEOMNSNOWUWAOZ-SECBINFHSA-N 0 3 157.232 1.830 20 0 ADADHN C[C@]1(F)CCN(CC2CC2)C1 307439289 346040724 /nfs/dbraw/zinc/04/07/24/346040724.db2.gz NEOMNSNOWUWAOZ-VIFPVBQESA-N 0 3 157.232 1.830 20 0 ADADHN CCCN1CCOC[C@H]1C1CC1 307445171 346044428 /nfs/dbraw/zinc/04/44/28/346044428.db2.gz CDJLAQLZTDUTGC-JTQLQIEISA-N 0 3 169.268 1.507 20 0 ADADHN CCCN1CCOC[C@@H]1C1CC1 307445175 346044553 /nfs/dbraw/zinc/04/45/53/346044553.db2.gz CDJLAQLZTDUTGC-SNVBAGLBSA-N 0 3 169.268 1.507 20 0 ADADHN C[C@H](CF)N[C@@H]1CCCSC1 307455645 346050874 /nfs/dbraw/zinc/05/08/74/346050874.db2.gz XKSJHOXXZAHHKW-HTQZYQBOSA-N 0 3 177.288 1.830 20 0 ADADHN C[C@H](CF)N[C@H]1CCCSC1 307455647 346050985 /nfs/dbraw/zinc/05/09/85/346050985.db2.gz XKSJHOXXZAHHKW-SFYZADRCSA-N 0 3 177.288 1.830 20 0 ADADHN C[C@H]1CCN(Cc2ccno2)C1 307464623 346056454 /nfs/dbraw/zinc/05/64/54/346056454.db2.gz HDCOYXLMLJQJAV-QMMMGPOBSA-N 0 3 166.224 1.516 20 0 ADADHN C[C@H]1COCCN1CC1CCC1 307478836 346065176 /nfs/dbraw/zinc/06/51/76/346065176.db2.gz IZTRNYSUTSWJKA-VIFPVBQESA-N 0 3 169.268 1.507 20 0 ADADHN CCCN1C[C@H](C)OC[C@H]1CC 307479509 346065639 /nfs/dbraw/zinc/06/56/39/346065639.db2.gz WWZKRDLXRJLRAB-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1C[C@H](C)OC[C@@H]1CC 307479508 346065864 /nfs/dbraw/zinc/06/58/64/346065864.db2.gz WWZKRDLXRJLRAB-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1C[C@@H](C)OC[C@H]1CC 307479507 346065952 /nfs/dbraw/zinc/06/59/52/346065952.db2.gz WWZKRDLXRJLRAB-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1C[C@@H](C)OC[C@@H]1CC 307479510 346065981 /nfs/dbraw/zinc/06/59/81/346065981.db2.gz WWZKRDLXRJLRAB-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1CCOC2(CCC2)C1 307482812 346067339 /nfs/dbraw/zinc/06/73/39/346067339.db2.gz ZLKMKFJKPQGYPS-UHFFFAOYSA-N 0 3 169.268 1.651 20 0 ADADHN CC(C)(C)Oc1cnccc1N 307486153 346069298 /nfs/dbraw/zinc/06/92/98/346069298.db2.gz BXAPNASHHJTPDD-UHFFFAOYSA-N 0 3 166.224 1.841 20 0 ADADHN CC1(C)C[C@@H](NC2CSC2)CO1 307494975 346073995 /nfs/dbraw/zinc/07/39/95/346073995.db2.gz IZPXCENDHBGLBQ-SSDOTTSWSA-N 0 3 187.308 1.259 20 0 ADADHN CC1(C)C[C@H](NC2CSC2)CO1 307494977 346074237 /nfs/dbraw/zinc/07/42/37/346074237.db2.gz IZPXCENDHBGLBQ-ZETCQYMHSA-N 0 3 187.308 1.259 20 0 ADADHN CCC(=O)Nc1cc(C)cc(CN)c1 307496182 346074920 /nfs/dbraw/zinc/07/49/20/346074920.db2.gz CGPZRFASOVKVMO-UHFFFAOYSA-N 0 3 192.262 1.802 20 0 ADADHN CCCCN1C[C@@H]2CC[C@H](C1)O2 307503961 346078836 /nfs/dbraw/zinc/07/88/36/346078836.db2.gz OZJRRLNCFJEQBB-AOOOYVTPSA-N 0 3 169.268 1.650 20 0 ADADHN CC(C)N1CCC(F)(F)[C@@H](CO)C1 307508231 346081466 /nfs/dbraw/zinc/08/14/66/346081466.db2.gz ADXKIBUZZFKNNS-MRVPVSSYSA-N 0 3 193.237 1.344 20 0 ADADHN CC(C)N1CCC(F)(F)[C@H](CO)C1 307508238 346081566 /nfs/dbraw/zinc/08/15/66/346081566.db2.gz ADXKIBUZZFKNNS-QMMMGPOBSA-N 0 3 193.237 1.344 20 0 ADADHN CNCC(=O)N1C[C@@H](C)CCC[C@@H]1C 307511251 346082984 /nfs/dbraw/zinc/08/29/84/346082984.db2.gz LDIBTNLVFXNUKL-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N1C[C@H](C)CCC[C@@H]1C 307511255 346083074 /nfs/dbraw/zinc/08/30/74/346083074.db2.gz LDIBTNLVFXNUKL-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N1C[C@@H](C)CCC[C@H]1C 307511253 346083148 /nfs/dbraw/zinc/08/31/48/346083148.db2.gz LDIBTNLVFXNUKL-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H]1CN(CCCF)[C@H](C)CO1 307518238 346087199 /nfs/dbraw/zinc/08/71/99/346087199.db2.gz KTEFUCHIMUNJCD-BDAKNGLRSA-N 0 3 175.247 1.455 20 0 ADADHN C[C@H]1CO[C@H](C)CN1CCCF 307518240 346087284 /nfs/dbraw/zinc/08/72/84/346087284.db2.gz KTEFUCHIMUNJCD-DTWKUNHWSA-N 0 3 175.247 1.455 20 0 ADADHN C[C@H]1CN(CCCF)[C@@H](C)CO1 307518242 346087432 /nfs/dbraw/zinc/08/74/32/346087432.db2.gz KTEFUCHIMUNJCD-IUCAKERBSA-N 0 3 175.247 1.455 20 0 ADADHN CC1(C)CN(CC2CCC2)CCO1 307523448 346090562 /nfs/dbraw/zinc/09/05/62/346090562.db2.gz CNNFWTYKKVQLMQ-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN Cc1cc(CNC2CC=CC2)on1 307524534 346091371 /nfs/dbraw/zinc/09/13/71/346091371.db2.gz IQPQQJBELDUNBH-UHFFFAOYSA-N 0 3 178.235 1.791 20 0 ADADHN Cc1c[nH]nc1CNC1CCC1 307529688 346094380 /nfs/dbraw/zinc/09/43/80/346094380.db2.gz UYKQGFRSNLUMCT-UHFFFAOYSA-N 0 3 165.240 1.360 20 0 ADADHN Cc1n[nH]cc1CN1CCCC1 307532320 346095159 /nfs/dbraw/zinc/09/51/59/346095159.db2.gz ZCQZCXMRGKQYDU-UHFFFAOYSA-N 0 3 165.240 1.314 20 0 ADADHN C[C@H]1C[C@@H](O)CN1Cc1ccsc1 307535727 346097436 /nfs/dbraw/zinc/09/74/36/346097436.db2.gz IFUVCXJAHNFUQZ-WCBMZHEXSA-N 0 3 197.303 1.703 20 0 ADADHN C[C@H](F)CCN1CCSCC1 307535683 346097490 /nfs/dbraw/zinc/09/74/90/346097490.db2.gz IBGHUIMXVHGGAP-QMMMGPOBSA-N 0 3 177.288 1.783 20 0 ADADHN C[C@H]1C[C@H](O)CN1Cc1ccsc1 307535728 346097740 /nfs/dbraw/zinc/09/77/40/346097740.db2.gz IFUVCXJAHNFUQZ-WPRPVWTQSA-N 0 3 197.303 1.703 20 0 ADADHN C[C@H]1C[C@H](O)CN1Cc1ccccn1 307536646 346098703 /nfs/dbraw/zinc/09/87/03/346098703.db2.gz OEFOQZFXFVOLEK-ONGXEEELSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@H]1C[C@@H](O)CN1Cc1ccccn1 307536638 346098790 /nfs/dbraw/zinc/09/87/90/346098790.db2.gz OEFOQZFXFVOLEK-GXSJLCMTSA-N 0 3 192.262 1.037 20 0 ADADHN CC1(CN2CCOCC2)CCC1 307544354 346103318 /nfs/dbraw/zinc/10/33/18/346103318.db2.gz HAGZENMQGFHZRK-UHFFFAOYSA-N 0 3 169.268 1.509 20 0 ADADHN CC1(C)C[C@H](NCCF)C(C)(C)O1 307544477 346103465 /nfs/dbraw/zinc/10/34/65/346103465.db2.gz WFAKARKYBNWJAM-QMMMGPOBSA-N 0 3 189.274 1.892 20 0 ADADHN C[C@H]1COCCN1CC1CCCC1 307544885 346103526 /nfs/dbraw/zinc/10/35/26/346103526.db2.gz IUJQJFCGKGCTAZ-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN CC1(C)C[C@@H](NCCF)C(C)(C)O1 307544476 346103613 /nfs/dbraw/zinc/10/36/13/346103613.db2.gz WFAKARKYBNWJAM-MRVPVSSYSA-N 0 3 189.274 1.892 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2cc[nH]n2)C1 307549409 346106185 /nfs/dbraw/zinc/10/61/85/346106185.db2.gz NNAKFGFHYKFEGI-IUCAKERBSA-N 0 3 179.267 1.640 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2cc[nH]n2)C1 307549408 346106329 /nfs/dbraw/zinc/10/63/29/346106329.db2.gz NNAKFGFHYKFEGI-DTWKUNHWSA-N 0 3 179.267 1.640 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1cc[nH]n1 307549407 346106377 /nfs/dbraw/zinc/10/63/77/346106377.db2.gz NNAKFGFHYKFEGI-BDAKNGLRSA-N 0 3 179.267 1.640 20 0 ADADHN CN(C[C@@H]1CCCO1)[C@H]1CC1(C)C 307549780 346106615 /nfs/dbraw/zinc/10/66/15/346106615.db2.gz OCEROTZBYZMXFH-UWVGGRQHSA-N 0 3 183.295 1.896 20 0 ADADHN CN(C[C@@H]1CCCO1)[C@@H]1CC1(C)C 307549781 346106654 /nfs/dbraw/zinc/10/66/54/346106654.db2.gz OCEROTZBYZMXFH-VHSXEESVSA-N 0 3 183.295 1.896 20 0 ADADHN CNC1(C(=O)C(C)C)CCC1 307554192 346109323 /nfs/dbraw/zinc/10/93/23/346109323.db2.gz GHMGTXFIJQJKCO-UHFFFAOYSA-N 0 3 155.241 1.354 20 0 ADADHN CC[C@H](F)CN1CC[C@H](O)C1(C)C 307555826 346110499 /nfs/dbraw/zinc/11/04/99/346110499.db2.gz TZJABJCILANQAD-IUCAKERBSA-N 0 3 189.274 1.580 20 0 ADADHN CC[C@@H](F)CN1CC[C@@H](O)C1(C)C 307555830 346110641 /nfs/dbraw/zinc/11/06/41/346110641.db2.gz TZJABJCILANQAD-RKDXNWHRSA-N 0 3 189.274 1.580 20 0 ADADHN CC[C@H](F)CN1CC[C@@H](O)C1(C)C 307555823 346110682 /nfs/dbraw/zinc/11/06/82/346110682.db2.gz TZJABJCILANQAD-DTWKUNHWSA-N 0 3 189.274 1.580 20 0 ADADHN CC[C@@H](F)CN1CC[C@H](O)C1(C)C 307555819 346110703 /nfs/dbraw/zinc/11/07/03/346110703.db2.gz TZJABJCILANQAD-BDAKNGLRSA-N 0 3 189.274 1.580 20 0 ADADHN CC(C)C(=O)[C@@H](N)C1CCC1 307561073 346113110 /nfs/dbraw/zinc/11/31/10/346113110.db2.gz AJYLAWWZICGADB-QMMMGPOBSA-N 0 3 155.241 1.339 20 0 ADADHN CC(C)C(=O)[C@H](N)C1CCC1 307561072 346113499 /nfs/dbraw/zinc/11/34/99/346113499.db2.gz AJYLAWWZICGADB-MRVPVSSYSA-N 0 3 155.241 1.339 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CC12CCCCC2 307563528 346114436 /nfs/dbraw/zinc/11/44/36/346114436.db2.gz PHGZIGSJTLPOLQ-DTWKUNHWSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CC12CCCCC2 307563529 346114448 /nfs/dbraw/zinc/11/44/48/346114448.db2.gz PHGZIGSJTLPOLQ-IUCAKERBSA-N 0 3 196.294 1.173 20 0 ADADHN Cc1n[nH]cc1CN[C@H]1CC[C@@H](F)C1 307566575 346116584 /nfs/dbraw/zinc/11/65/84/346116584.db2.gz SIOYBICJCRCPPD-ZJUUUORDSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1n[nH]cc1CN[C@@H]1CC[C@H](F)C1 307566574 346116644 /nfs/dbraw/zinc/11/66/44/346116644.db2.gz SIOYBICJCRCPPD-VHSXEESVSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1n[nH]cc1CN[C@@H]1CC[C@@H](F)C1 307566572 346117002 /nfs/dbraw/zinc/11/70/02/346117002.db2.gz SIOYBICJCRCPPD-NXEZZACHSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1n[nH]cc1CN[C@H]1CC[C@H](F)C1 307566573 346117148 /nfs/dbraw/zinc/11/71/48/346117148.db2.gz SIOYBICJCRCPPD-UWVGGRQHSA-N 0 3 197.257 1.698 20 0 ADADHN CC[C@H]1CN([C@H](C)CC)CCO1 307576155 346123491 /nfs/dbraw/zinc/12/34/91/346123491.db2.gz JVQYCNCQYQLAIB-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H]1CN([C@@H](C)CC)CCO1 307576151 346123522 /nfs/dbraw/zinc/12/35/22/346123522.db2.gz JVQYCNCQYQLAIB-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H](C)N1CCO[C@H](CC)C1 307576153 346123531 /nfs/dbraw/zinc/12/35/31/346123531.db2.gz JVQYCNCQYQLAIB-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@@H]1CN([C@H](C)CC)CCO1 307576149 346123600 /nfs/dbraw/zinc/12/36/00/346123600.db2.gz JVQYCNCQYQLAIB-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@@H]1COCCN1CC1CCC1 307579616 346126197 /nfs/dbraw/zinc/12/61/97/346126197.db2.gz QDMBNOAKVKBNPO-LLVKDONJSA-N 0 3 183.295 1.897 20 0 ADADHN CC[C@H]1COCCN1CC1CCC1 307579617 346126363 /nfs/dbraw/zinc/12/63/63/346126363.db2.gz QDMBNOAKVKBNPO-NSHDSACASA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1CN(Cc2ccno2)C[C@@H]1C 307583528 346128021 /nfs/dbraw/zinc/12/80/21/346128021.db2.gz YZBBCEHEUHVEAN-IUCAKERBSA-N 0 3 180.251 1.762 20 0 ADADHN NC(=O)CN1CCCCCCCC1 307584314 346128774 /nfs/dbraw/zinc/12/87/74/346128774.db2.gz HWHRNUYBUMQENF-UHFFFAOYSA-N 0 3 184.283 1.128 20 0 ADADHN Cc1ccc(CN2C[C@@H](O)C[C@@H]2C)o1 307586588 346130313 /nfs/dbraw/zinc/13/03/13/346130313.db2.gz QCPYTINZJRCSNA-WPRPVWTQSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1ccc(CN2C[C@@H](O)C[C@H]2C)o1 307586586 346130378 /nfs/dbraw/zinc/13/03/78/346130378.db2.gz QCPYTINZJRCSNA-SCZZXKLOSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1ccc(CN2C[C@H](O)C[C@H]2C)o1 307586585 346130391 /nfs/dbraw/zinc/13/03/91/346130391.db2.gz QCPYTINZJRCSNA-PSASIEDQSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1ccc(CN2C[C@H](O)C[C@@H]2C)o1 307586587 346130467 /nfs/dbraw/zinc/13/04/67/346130467.db2.gz QCPYTINZJRCSNA-WCBMZHEXSA-N 0 3 195.262 1.543 20 0 ADADHN CC1(C)CC2(COCCN2)C1 307591823 346133782 /nfs/dbraw/zinc/13/37/82/346133782.db2.gz HQWJPRCRPGOHAN-UHFFFAOYSA-N 0 3 155.241 1.165 20 0 ADADHN Cc1c[nH]nc1CN[C@@H]1CCC1(C)C 307594729 346135894 /nfs/dbraw/zinc/13/58/94/346135894.db2.gz JFXPOULRPSOTEX-SNVBAGLBSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]nc1CN[C@H]1CCC1(C)C 307594728 346135952 /nfs/dbraw/zinc/13/59/52/346135952.db2.gz JFXPOULRPSOTEX-JTQLQIEISA-N 0 3 193.294 1.996 20 0 ADADHN C[C@H](N[C@@H]1CC1(C)C)c1ccncn1 307599069 346138604 /nfs/dbraw/zinc/13/86/04/346138604.db2.gz QGXCVRGLBNZJIK-WCBMZHEXSA-N 0 3 191.278 1.926 20 0 ADADHN F[C@@H]1CCCC[C@H]1N[C@@H]1CCOC1 307604576 346141677 /nfs/dbraw/zinc/14/16/77/346141677.db2.gz WNQZZJFJZVVEHS-OPRDCNLKSA-N 0 3 187.258 1.646 20 0 ADADHN CN(Cc1cnc(N)s1)C(C)(C)C 307604228 346141799 /nfs/dbraw/zinc/14/17/99/346141799.db2.gz VNHYVOSLQCFPQD-UHFFFAOYSA-N 0 3 199.323 1.956 20 0 ADADHN CC[C@@H]1CCCN1Cc1cc[nH]n1 307604794 346141835 /nfs/dbraw/zinc/14/18/35/346141835.db2.gz XBMZKZVFWRKMAZ-SNVBAGLBSA-N 0 3 179.267 1.784 20 0 ADADHN CC[C@H](F)CN1CCCO[C@@H](C)C1 307609183 346144333 /nfs/dbraw/zinc/14/43/33/346144333.db2.gz DPMRMVJVIUPMGR-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@H](F)CN1CCCO[C@H](C)C1 307609185 346144344 /nfs/dbraw/zinc/14/43/44/346144344.db2.gz DPMRMVJVIUPMGR-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@@H](F)CN1CCCO[C@@H](C)C1 307609184 346144544 /nfs/dbraw/zinc/14/45/44/346144544.db2.gz DPMRMVJVIUPMGR-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@@H](F)CN1CCCO[C@H](C)C1 307609181 346144612 /nfs/dbraw/zinc/14/46/12/346144612.db2.gz DPMRMVJVIUPMGR-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN C[C@H]1CN(CCCO)CCC1(F)F 307615729 346149076 /nfs/dbraw/zinc/14/90/76/346149076.db2.gz QTCCBACFXJVPEY-QMMMGPOBSA-N 0 3 193.237 1.346 20 0 ADADHN C[C@H]1C[C@H](NCCF)CS1 307619742 346151705 /nfs/dbraw/zinc/15/17/05/346151705.db2.gz ZBXSCOPWOMKHAJ-BQBZGAKWSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@@H]1C[C@H](NCCF)CS1 307619745 346151709 /nfs/dbraw/zinc/15/17/09/346151709.db2.gz ZBXSCOPWOMKHAJ-RQJHMYQMSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@@H]1C[C@@H](NCCF)CS1 307619744 346151783 /nfs/dbraw/zinc/15/17/83/346151783.db2.gz ZBXSCOPWOMKHAJ-RNFRBKRXSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@H]1C[C@@H](NCCF)CS1 307619743 346151989 /nfs/dbraw/zinc/15/19/89/346151989.db2.gz ZBXSCOPWOMKHAJ-NKWVEPMBSA-N 0 3 163.261 1.440 20 0 ADADHN C[C@H]1CN(C)CCN1CC[C@@H](C)F 307624562 346154151 /nfs/dbraw/zinc/15/41/51/346154151.db2.gz RRLRCWAUDUQHSY-ZJUUUORDSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@H](F)CCN1CCN(C)C[C@H]1C 307624561 346154268 /nfs/dbraw/zinc/15/42/68/346154268.db2.gz RRLRCWAUDUQHSY-VHSXEESVSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@H](F)CCN1CCN(C)C[C@@H]1C 307624560 346154296 /nfs/dbraw/zinc/15/42/96/346154296.db2.gz RRLRCWAUDUQHSY-UWVGGRQHSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@]1(F)CCN(CCCF)C1 307627696 346155727 /nfs/dbraw/zinc/15/57/27/346155727.db2.gz VPHTWTQZEAQDAH-QMMMGPOBSA-N 0 3 163.211 1.780 20 0 ADADHN C[C@@]1(F)CCN(CCCF)C1 307627694 346155761 /nfs/dbraw/zinc/15/57/61/346155761.db2.gz VPHTWTQZEAQDAH-MRVPVSSYSA-N 0 3 163.211 1.780 20 0 ADADHN CN1CCC(NCC(C)(F)F)CC1 307635180 346160295 /nfs/dbraw/zinc/16/02/95/346160295.db2.gz UWKQIVYDXYJBEL-UHFFFAOYSA-N 0 3 192.253 1.325 20 0 ADADHN Cc1nc(C)c(NC(=O)[C@H](C)N)s1 307665898 346172258 /nfs/dbraw/zinc/17/22/58/346172258.db2.gz MEZVXXFKTHQGPK-BYPYZUCNSA-N 0 3 199.279 1.046 20 0 ADADHN c1cc(CN2C3CCC2CC3)on1 307682232 346180268 /nfs/dbraw/zinc/18/02/68/346180268.db2.gz QXRRTAXDFFKAHX-UHFFFAOYSA-N 0 3 178.235 1.801 20 0 ADADHN CCCCN1CCOCC12CC2 307682204 346180543 /nfs/dbraw/zinc/18/05/43/346180543.db2.gz QVPIJFLJHZITMW-UHFFFAOYSA-N 0 3 169.268 1.651 20 0 ADADHN C[C@H](NC1CC=CC1)c1cn[nH]c1 307686849 346183576 /nfs/dbraw/zinc/18/35/76/346183576.db2.gz CEFXZERTVMUJKI-QMMMGPOBSA-N 0 3 177.251 1.779 20 0 ADADHN Cc1n[nH]cc1CN1CCC[C@@H]1C 307690051 346185508 /nfs/dbraw/zinc/18/55/08/346185508.db2.gz HJUBMQGUIUVXOJ-QMMMGPOBSA-N 0 3 179.267 1.702 20 0 ADADHN CC[C@H](F)CN1C[C@H](O)C(C)(C)C1 307698393 346190615 /nfs/dbraw/zinc/19/06/15/346190615.db2.gz MWNCKUSEOPVSEB-IUCAKERBSA-N 0 3 189.274 1.437 20 0 ADADHN CC[C@@H](F)CN1C[C@@H](O)C(C)(C)C1 307698401 346190638 /nfs/dbraw/zinc/19/06/38/346190638.db2.gz MWNCKUSEOPVSEB-RKDXNWHRSA-N 0 3 189.274 1.437 20 0 ADADHN CC[C@H](F)CN1C[C@@H](O)C(C)(C)C1 307698383 346190685 /nfs/dbraw/zinc/19/06/85/346190685.db2.gz MWNCKUSEOPVSEB-DTWKUNHWSA-N 0 3 189.274 1.437 20 0 ADADHN CC[C@@H](F)CN1C[C@H](O)C(C)(C)C1 307698371 346190782 /nfs/dbraw/zinc/19/07/82/346190782.db2.gz MWNCKUSEOPVSEB-BDAKNGLRSA-N 0 3 189.274 1.437 20 0 ADADHN Cc1ncsc1NC(=O)C(C)(C)N 307701529 346192486 /nfs/dbraw/zinc/19/24/86/346192486.db2.gz SAGYKZRFSCFMBW-UHFFFAOYSA-N 0 3 199.279 1.127 20 0 ADADHN CC[C@H](F)CN1CCCC1 307702657 346192907 /nfs/dbraw/zinc/19/29/07/346192907.db2.gz PSINXSDOLIAWOX-QMMMGPOBSA-N 0 3 145.221 1.830 20 0 ADADHN CC[C@@H](F)CN1CCCC1 307702656 346192974 /nfs/dbraw/zinc/19/29/74/346192974.db2.gz PSINXSDOLIAWOX-MRVPVSSYSA-N 0 3 145.221 1.830 20 0 ADADHN CC[C@H](C)CN1CCOC[C@H]1C 307706428 346194594 /nfs/dbraw/zinc/19/45/94/346194594.db2.gz ZTIJPONQLUQWDK-VHSXEESVSA-N 0 3 171.284 1.753 20 0 ADADHN CCCN1CCC(F)(F)[C@H](CO)C1 307707498 346195196 /nfs/dbraw/zinc/19/51/96/346195196.db2.gz ZGGJVRLIEGNDES-QMMMGPOBSA-N 0 3 193.237 1.346 20 0 ADADHN CCCN1CCC(F)(F)[C@@H](CO)C1 307707497 346195561 /nfs/dbraw/zinc/19/55/61/346195561.db2.gz ZGGJVRLIEGNDES-MRVPVSSYSA-N 0 3 193.237 1.346 20 0 ADADHN C[C@H]1COC(C)(C)CN1CC1CC1 307710282 346196884 /nfs/dbraw/zinc/19/68/84/346196884.db2.gz PDNHXDPGUUJUPZ-VIFPVBQESA-N 0 3 183.295 1.896 20 0 ADADHN CN(C)CCSCC1CC1 307711359 346197405 /nfs/dbraw/zinc/19/74/05/346197405.db2.gz SYLPJWNNXBQYBF-UHFFFAOYSA-N 0 3 159.298 1.691 20 0 ADADHN CN(C)CCSCC(F)F 307712369 346197684 /nfs/dbraw/zinc/19/76/84/346197684.db2.gz WUGFXHPGFNPYSG-UHFFFAOYSA-N 0 3 169.240 1.546 20 0 ADADHN CN1CC[C@H](N2CCCCCC2)C1=O 307716115 346199797 /nfs/dbraw/zinc/19/97/97/346199797.db2.gz HCBPYNINWLCLML-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN CN1CC[C@@H](N2CCCCCC2)C1=O 307716116 346199838 /nfs/dbraw/zinc/19/98/38/346199838.db2.gz HCBPYNINWLCLML-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN Cc1n[nH]cc1CN1CCCCC1 307722220 346203284 /nfs/dbraw/zinc/20/32/84/346203284.db2.gz RXELISQOAPVNCS-UHFFFAOYSA-N 0 3 179.267 1.704 20 0 ADADHN Cc1n[nH]cc1CN(C)C(C)C 307731366 346208026 /nfs/dbraw/zinc/20/80/26/346208026.db2.gz JXOYYEBQFBJBJI-UHFFFAOYSA-N 0 3 167.256 1.558 20 0 ADADHN Cc1ccc(CN(C)C2CC2)nc1 307738955 346212073 /nfs/dbraw/zinc/21/20/73/346212073.db2.gz XUSSMXRLLKNJRG-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN CCCCN1[C@@H](C)COC[C@H]1C 307742529 346213052 /nfs/dbraw/zinc/21/30/52/346213052.db2.gz KPRDRKHEBRNPFH-AOOOYVTPSA-N 0 3 171.284 1.896 20 0 ADADHN CCCCN1[C@H](C)COC[C@H]1C 307742530 346213257 /nfs/dbraw/zinc/21/32/57/346213257.db2.gz KPRDRKHEBRNPFH-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCCN1[C@@H](C)COC[C@@H]1C 307742531 346213410 /nfs/dbraw/zinc/21/34/10/346213410.db2.gz KPRDRKHEBRNPFH-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CN(Cc1cccn1C)C1CC1 307743491 346214062 /nfs/dbraw/zinc/21/40/62/346214062.db2.gz MHNPVUZQZQTTPC-UHFFFAOYSA-N 0 3 164.252 1.619 20 0 ADADHN CC(C)[C@@H]1CN(CC2CC2)CCO1 307745089 346215204 /nfs/dbraw/zinc/21/52/04/346215204.db2.gz QPRQLUWXDYETJP-NSHDSACASA-N 0 3 183.295 1.753 20 0 ADADHN CC(C)[C@H]1CN(CC2CC2)CCO1 307745088 346215337 /nfs/dbraw/zinc/21/53/37/346215337.db2.gz QPRQLUWXDYETJP-LLVKDONJSA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H](F)CN1C[C@@H](O)C2(CC2)C1 307751846 346221481 /nfs/dbraw/zinc/22/14/81/346221481.db2.gz POFYPKPZOBFBLE-RKDXNWHRSA-N 0 3 187.258 1.191 20 0 ADADHN CC[C@H](F)CN1C[C@@H](O)C2(CC2)C1 307751844 346221511 /nfs/dbraw/zinc/22/15/11/346221511.db2.gz POFYPKPZOBFBLE-DTWKUNHWSA-N 0 3 187.258 1.191 20 0 ADADHN CC[C@H](F)CN1C[C@H](O)C2(CC2)C1 307751845 346221720 /nfs/dbraw/zinc/22/17/20/346221720.db2.gz POFYPKPZOBFBLE-IUCAKERBSA-N 0 3 187.258 1.191 20 0 ADADHN CC(C)N1CCOC2(CCC2)C1 307755787 346224513 /nfs/dbraw/zinc/22/45/13/346224513.db2.gz FMQSRLPQHJQADW-UHFFFAOYSA-N 0 3 169.268 1.650 20 0 ADADHN CCCC(=O)N1CCCN(CC)CC1 307767660 346228588 /nfs/dbraw/zinc/22/85/88/346228588.db2.gz CCDBQGXBIOCTKR-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CC(C)C[C@@H]1CCN([C@@H](C)C(N)=O)C1 307795363 346229099 /nfs/dbraw/zinc/22/90/99/346229099.db2.gz CXLVNLJDZMFCPG-UWVGGRQHSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)C[C@@H]1CCN([C@H](C)C(N)=O)C1 307795365 346229118 /nfs/dbraw/zinc/22/91/18/346229118.db2.gz CXLVNLJDZMFCPG-ZJUUUORDSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)C[C@H]1CCN([C@@H](C)C(N)=O)C1 307795364 346229124 /nfs/dbraw/zinc/22/91/24/346229124.db2.gz CXLVNLJDZMFCPG-VHSXEESVSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)C[C@H]1CCN([C@H](C)C(N)=O)C1 307795362 346229281 /nfs/dbraw/zinc/22/92/81/346229281.db2.gz CXLVNLJDZMFCPG-NXEZZACHSA-N 0 3 198.310 1.228 20 0 ADADHN CCOCCSCCN(C)C 307900237 346233772 /nfs/dbraw/zinc/23/37/72/346233772.db2.gz MHPGAYYKHOFSHM-UHFFFAOYSA-N 0 3 177.313 1.318 20 0 ADADHN C[C@]1(O)CCCN(C/C=C\Cl)C1 307927794 346236045 /nfs/dbraw/zinc/23/60/45/346236045.db2.gz LAKBJIZHRVVQJC-LVCFMKKZSA-N 0 3 189.686 1.586 20 0 ADADHN C[C@@]1(O)CCCN(C/C=C\Cl)C1 307927793 346236146 /nfs/dbraw/zinc/23/61/46/346236146.db2.gz LAKBJIZHRVVQJC-AZVKUDOFSA-N 0 3 189.686 1.586 20 0 ADADHN CC[C@@H]1CN(C/C=C\Cl)C[C@@H]1O 307942553 346238225 /nfs/dbraw/zinc/23/82/25/346238225.db2.gz DFSNWLPWIHXEDS-NESOUNQCSA-N 0 3 189.686 1.442 20 0 ADADHN CC[C@@H]1CN(C/C=C\Cl)C[C@H]1O 307942555 346238316 /nfs/dbraw/zinc/23/83/16/346238316.db2.gz DFSNWLPWIHXEDS-UREXNXCXSA-N 0 3 189.686 1.442 20 0 ADADHN CCCN(CC)Cc1ccno1 307947496 346239396 /nfs/dbraw/zinc/23/93/96/346239396.db2.gz LACHAMXVEHNIGN-UHFFFAOYSA-N 0 3 168.240 1.907 20 0 ADADHN C[C@@H]1OCC[C@H]1SCCN(C)C 307958630 346241331 /nfs/dbraw/zinc/24/13/31/346241331.db2.gz TZOYMQJBXPGFDB-DTWKUNHWSA-N 0 3 189.324 1.459 20 0 ADADHN C[C@H]1OCC[C@@H]1SCCN(C)C 307958629 346241370 /nfs/dbraw/zinc/24/13/70/346241370.db2.gz TZOYMQJBXPGFDB-BDAKNGLRSA-N 0 3 189.324 1.459 20 0 ADADHN C[C@H]1OCC[C@H]1SCCN(C)C 307958632 346241425 /nfs/dbraw/zinc/24/14/25/346241425.db2.gz TZOYMQJBXPGFDB-RKDXNWHRSA-N 0 3 189.324 1.459 20 0 ADADHN C[C@@H]1OCC[C@@H]1SCCN(C)C 307958631 346241596 /nfs/dbraw/zinc/24/15/96/346241596.db2.gz TZOYMQJBXPGFDB-IUCAKERBSA-N 0 3 189.324 1.459 20 0 ADADHN CC[C@H](C)N(C)Cc1ccno1 307959471 346241992 /nfs/dbraw/zinc/24/19/92/346241992.db2.gz UXSNJJALPXVRAL-QMMMGPOBSA-N 0 3 168.240 1.905 20 0 ADADHN CC[C@@H](C)N(C)Cc1ccno1 307959470 346242002 /nfs/dbraw/zinc/24/20/02/346242002.db2.gz UXSNJJALPXVRAL-MRVPVSSYSA-N 0 3 168.240 1.905 20 0 ADADHN CC[C@]1(O)CCN(C/C=C\Cl)C1 307977916 346246356 /nfs/dbraw/zinc/24/63/56/346246356.db2.gz MPTPQPGDWCWGGU-LVCFMKKZSA-N 0 3 189.686 1.586 20 0 ADADHN C/C(Cl)=C\CN1CCC[C@@H]1CO 307977565 346246573 /nfs/dbraw/zinc/24/65/73/346246573.db2.gz JTLJFATYYNXEIM-VGANXODHSA-N 0 3 189.686 1.586 20 0 ADADHN CC[C@@]1(O)CCN(C/C=C\Cl)C1 307977915 346246640 /nfs/dbraw/zinc/24/66/40/346246640.db2.gz MPTPQPGDWCWGGU-AZVKUDOFSA-N 0 3 189.686 1.586 20 0 ADADHN C/C(Cl)=C\CN1CCC[C@H]1CO 307977564 346246682 /nfs/dbraw/zinc/24/66/82/346246682.db2.gz JTLJFATYYNXEIM-SGDMMICCSA-N 0 3 189.686 1.586 20 0 ADADHN CCCCCN1CCO[C@@H](C)C1 307981559 346246993 /nfs/dbraw/zinc/24/69/93/346246993.db2.gz OYKAVBFQVHBBHE-JTQLQIEISA-N 0 3 171.284 1.897 20 0 ADADHN CCCCCN1CCO[C@H](C)C1 307981561 346247183 /nfs/dbraw/zinc/24/71/83/346247183.db2.gz OYKAVBFQVHBBHE-SNVBAGLBSA-N 0 3 171.284 1.897 20 0 ADADHN CCCCOCCN(C)C1CC1 308000440 346249592 /nfs/dbraw/zinc/24/95/92/346249592.db2.gz ZEVDTHOFFWJYLJ-UHFFFAOYSA-N 0 3 171.284 1.897 20 0 ADADHN CSCCN(C)Cc1cnc[nH]1 308070533 346253648 /nfs/dbraw/zinc/25/36/48/346253648.db2.gz ATBXKQPRRNZRMS-UHFFFAOYSA-N 0 3 185.296 1.205 20 0 ADADHN CN(Cc1ccno1)CC1CC1 308071958 346253957 /nfs/dbraw/zinc/25/39/57/346253957.db2.gz BBQLLECHMRSQIN-UHFFFAOYSA-N 0 3 166.224 1.516 20 0 ADADHN FC(F)(F)COCCN1CCCC1 308094965 346255889 /nfs/dbraw/zinc/25/58/89/346255889.db2.gz LAYQIAPNEWMGQW-UHFFFAOYSA-N 0 3 197.200 1.661 20 0 ADADHN C[C@H](c1ccncc1)N(C)CCO 308104638 346256336 /nfs/dbraw/zinc/25/63/36/346256336.db2.gz IMIFXJFJENVYQW-SECBINFHSA-N 0 3 180.251 1.067 20 0 ADADHN C[C@@H](c1ccncc1)N(C)CCO 308104640 346256684 /nfs/dbraw/zinc/25/66/84/346256684.db2.gz IMIFXJFJENVYQW-VIFPVBQESA-N 0 3 180.251 1.067 20 0 ADADHN CC(C)CN(C)Cc1ccno1 308125047 346257792 /nfs/dbraw/zinc/25/77/92/346257792.db2.gz UVNMQXCKMXKXRO-UHFFFAOYSA-N 0 3 168.240 1.762 20 0 ADADHN CCN(CC)CC(=O)N(C)C(C)C 308128945 346258487 /nfs/dbraw/zinc/25/84/87/346258487.db2.gz CPCUOXMLIXJJQY-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN CC(C)NC(=O)[C@H](C(C)C)N(C)C 308137698 346259430 /nfs/dbraw/zinc/25/94/30/346259430.db2.gz GIQYCTJYZROFFU-VIFPVBQESA-N 0 3 186.299 1.097 20 0 ADADHN CSCCNCc1n[nH]cc1C 308141455 346259965 /nfs/dbraw/zinc/25/99/65/346259965.db2.gz HOITZKJOZXYNOA-UHFFFAOYSA-N 0 3 185.296 1.171 20 0 ADADHN CCCNC(=O)[C@H](C)N(CC)CC 308148701 346261487 /nfs/dbraw/zinc/26/14/87/346261487.db2.gz PNTSJGJXPYGLHW-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCCN(C)CC(=O)N[C@@H](C)CC 308145835 346261511 /nfs/dbraw/zinc/26/15/11/346261511.db2.gz ADJPQGSIGSDFKF-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCCN(C)CC(=O)N[C@H](C)CC 308145834 346261539 /nfs/dbraw/zinc/26/15/39/346261539.db2.gz ADJPQGSIGSDFKF-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCCNC(=O)[C@@H](C)N(CC)CC 308148700 346261542 /nfs/dbraw/zinc/26/15/42/346261542.db2.gz PNTSJGJXPYGLHW-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CSC[C@H](O)CN1CC(C)(C)C1 308151415 346261921 /nfs/dbraw/zinc/26/19/21/346261921.db2.gz MXYVHXSMLUWKLA-MRVPVSSYSA-N 0 3 189.324 1.052 20 0 ADADHN CSC[C@@H](O)CN1CC(C)(C)C1 308151416 346261956 /nfs/dbraw/zinc/26/19/56/346261956.db2.gz MXYVHXSMLUWKLA-QMMMGPOBSA-N 0 3 189.324 1.052 20 0 ADADHN COCCCCSCCN(C)C 308160292 346263919 /nfs/dbraw/zinc/26/39/19/346263919.db2.gz QZFQGFJCXBEOGH-UHFFFAOYSA-N 0 3 191.340 1.708 20 0 ADADHN CN(C)CCSC[C@@H]1CCCO1 308173697 346266567 /nfs/dbraw/zinc/26/65/67/346266567.db2.gz XZEPHYRAIBYKJH-VIFPVBQESA-N 0 3 189.324 1.460 20 0 ADADHN CN(C)CCSC[C@H]1CCCO1 308173696 346266644 /nfs/dbraw/zinc/26/66/44/346266644.db2.gz XZEPHYRAIBYKJH-SECBINFHSA-N 0 3 189.324 1.460 20 0 ADADHN CSC[C@@H](C)NCc1n[nH]cc1C 308190940 346267678 /nfs/dbraw/zinc/26/76/78/346267678.db2.gz NVEZTSGROPUSNV-MRVPVSSYSA-N 0 3 199.323 1.559 20 0 ADADHN CSC[C@H](C)NCc1n[nH]cc1C 308190942 346267886 /nfs/dbraw/zinc/26/78/86/346267886.db2.gz NVEZTSGROPUSNV-QMMMGPOBSA-N 0 3 199.323 1.559 20 0 ADADHN CCOCCN(C)C[C@@H]1CCCO1 308198005 346268300 /nfs/dbraw/zinc/26/83/00/346268300.db2.gz VELDDSJQWKLEMU-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CS[C@H](C)CN[C@@H](C)c1cn[nH]c1 308200630 346268864 /nfs/dbraw/zinc/26/88/64/346268864.db2.gz UUSOFJCCDZFMHW-SFYZADRCSA-N 0 3 199.323 1.812 20 0 ADADHN CS[C@@H](C)CN[C@@H](C)c1cn[nH]c1 308200631 346269131 /nfs/dbraw/zinc/26/91/31/346269131.db2.gz UUSOFJCCDZFMHW-YUMQZZPRSA-N 0 3 199.323 1.812 20 0 ADADHN CS[C@@H](C)CN[C@H](C)c1cn[nH]c1 308200629 346269151 /nfs/dbraw/zinc/26/91/51/346269151.db2.gz UUSOFJCCDZFMHW-JGVFFNPUSA-N 0 3 199.323 1.812 20 0 ADADHN CS[C@H](C)CN[C@H](C)c1cn[nH]c1 308200628 346269166 /nfs/dbraw/zinc/26/91/66/346269166.db2.gz UUSOFJCCDZFMHW-HTQZYQBOSA-N 0 3 199.323 1.812 20 0 ADADHN CCCN(CC)CC(=O)N(C)CC 308215726 346271042 /nfs/dbraw/zinc/27/10/42/346271042.db2.gz JHACDDJVUHGVGP-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN CCCN(C)C(=O)CN(C)C(C)C 308222775 346272151 /nfs/dbraw/zinc/27/21/51/346272151.db2.gz LWDOWLHBNVXIQF-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN CCCCN(C)[C@@H](C)C(=O)N(C)C 308244017 346274612 /nfs/dbraw/zinc/27/46/12/346274612.db2.gz UEOXOMQFJYWSKP-VIFPVBQESA-N 0 3 186.299 1.195 20 0 ADADHN CCCCN(C)CCNC(=O)CC 308247638 346275206 /nfs/dbraw/zinc/27/52/06/346275206.db2.gz XXVRBCIOUQAZBT-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CCCCCN(C)CC(=O)NCC 308248109 346275261 /nfs/dbraw/zinc/27/52/61/346275261.db2.gz YVAAZIWPFFPRIO-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CCCN1CCC[C@@]1(C)C(=O)OC 308247988 346275268 /nfs/dbraw/zinc/27/52/68/346275268.db2.gz YNZJYCZWERICCP-JTQLQIEISA-N 0 3 185.267 1.424 20 0 ADADHN CCN(C)[C@@H](C)C(=O)NC(C)(C)C 308247702 346275418 /nfs/dbraw/zinc/27/54/18/346275418.db2.gz YBCMMRIGNHVTIG-QMMMGPOBSA-N 0 3 186.299 1.241 20 0 ADADHN CCN(C)[C@H](C)C(=O)NC(C)(C)C 308247701 346275428 /nfs/dbraw/zinc/27/54/28/346275428.db2.gz YBCMMRIGNHVTIG-MRVPVSSYSA-N 0 3 186.299 1.241 20 0 ADADHN CO[C@@H](C)CCNCc1ccco1 308249740 346275917 /nfs/dbraw/zinc/27/59/17/346275917.db2.gz ARLPTFVVRNZKEP-VIFPVBQESA-N 0 3 183.251 1.794 20 0 ADADHN CO[C@H](C)CCNCc1ccco1 308249739 346276052 /nfs/dbraw/zinc/27/60/52/346276052.db2.gz ARLPTFVVRNZKEP-SECBINFHSA-N 0 3 183.251 1.794 20 0 ADADHN CN(C)CCSCCn1ccnc1 308266206 346278910 /nfs/dbraw/zinc/27/89/10/346278910.db2.gz PQNVQBSLKFQYNB-UHFFFAOYSA-N 0 3 199.323 1.178 20 0 ADADHN CN(C)CCSCc1ccnn1C 308273905 346279978 /nfs/dbraw/zinc/27/99/78/346279978.db2.gz UOEDHWNFDOBWFC-UHFFFAOYSA-N 0 3 199.323 1.215 20 0 ADADHN CN(C)CCSCc1ccccn1 308277067 346280163 /nfs/dbraw/zinc/28/01/63/346280163.db2.gz WFQZWZBWCVFUSH-UHFFFAOYSA-N 0 3 196.319 1.876 20 0 ADADHN CC[C@@H](C)N(C)CC(=O)NC(C)C 308304925 346285560 /nfs/dbraw/zinc/28/55/60/346285560.db2.gz NXCZQFFTMOHTDF-SECBINFHSA-N 0 3 186.299 1.241 20 0 ADADHN CC[C@H](C)N(C)CC(=O)NC(C)C 308304926 346285756 /nfs/dbraw/zinc/28/57/56/346285756.db2.gz NXCZQFFTMOHTDF-VIFPVBQESA-N 0 3 186.299 1.241 20 0 ADADHN CCOCCN(C)C[C@H]1CCCO1 308314214 346287106 /nfs/dbraw/zinc/28/71/06/346287106.db2.gz VELDDSJQWKLEMU-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@H](C)N(C)CC(=O)N(C)CC 308315552 346287634 /nfs/dbraw/zinc/28/76/34/346287634.db2.gz VCRHOEDQMUWYRF-VIFPVBQESA-N 0 3 186.299 1.195 20 0 ADADHN CC[C@@H](C)N(C)CC(=O)N(C)CC 308315551 346287862 /nfs/dbraw/zinc/28/78/62/346287862.db2.gz VCRHOEDQMUWYRF-SECBINFHSA-N 0 3 186.299 1.195 20 0 ADADHN CSCCCN(C)Cc1cnc[nH]1 308316867 346287928 /nfs/dbraw/zinc/28/79/28/346287928.db2.gz XMJIJMOKBHLJCB-UHFFFAOYSA-N 0 3 199.323 1.595 20 0 ADADHN CCCN(CC(=O)NC)CC(C)C 308323731 346289042 /nfs/dbraw/zinc/28/90/42/346289042.db2.gz DEAROQNMWAKUJS-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCCCNC(=O)CN(C)CCC 308325562 346289636 /nfs/dbraw/zinc/28/96/36/346289636.db2.gz FBFZBDWNHOPGAX-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN OCCCN(C[C@H]1CCCO1)C1CC1 308330808 346290436 /nfs/dbraw/zinc/29/04/36/346290436.db2.gz AYDRADDVZUDIKU-LLVKDONJSA-N 0 3 199.294 1.012 20 0 ADADHN OCCCN(C[C@@H]1CCCO1)C1CC1 308330809 346290622 /nfs/dbraw/zinc/29/06/22/346290622.db2.gz AYDRADDVZUDIKU-NSHDSACASA-N 0 3 199.294 1.012 20 0 ADADHN CCN(C)C(=O)[C@@H](C(C)C)N(C)C 308377538 346294748 /nfs/dbraw/zinc/29/47/48/346294748.db2.gz SYSTXUUKBBXRML-SECBINFHSA-N 0 3 186.299 1.051 20 0 ADADHN CCCCN(CCC)CC(=O)NC 308379699 346294786 /nfs/dbraw/zinc/29/47/86/346294786.db2.gz UKUNWRAOVPAWGC-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CCN(C)C(=O)[C@H](C(C)C)N(C)C 308377542 346294895 /nfs/dbraw/zinc/29/48/95/346294895.db2.gz SYSTXUUKBBXRML-VIFPVBQESA-N 0 3 186.299 1.051 20 0 ADADHN CCCNC(=O)[C@H](C)N(C)CCC 308385227 346295168 /nfs/dbraw/zinc/29/51/68/346295168.db2.gz WLKOIAKDKGSBSP-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCCNC(=O)[C@@H](C)N(C)CCC 308385225 346295565 /nfs/dbraw/zinc/29/55/65/346295565.db2.gz WLKOIAKDKGSBSP-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCN(Cc1ccno1)CC1CC1 308385984 346296093 /nfs/dbraw/zinc/29/60/93/346296093.db2.gz XBIWNWHHYOWEEW-UHFFFAOYSA-N 0 3 180.251 1.907 20 0 ADADHN CC[C@@H]1C[C@H](C)CN1CC(=O)OC 308391538 346296515 /nfs/dbraw/zinc/29/65/15/346296515.db2.gz ZSQPZFJWRMWVGG-DTWKUNHWSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@H]1C[C@@H](C)CN1CC(=O)OC 308391537 346296654 /nfs/dbraw/zinc/29/66/54/346296654.db2.gz ZSQPZFJWRMWVGG-BDAKNGLRSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@H]1C[C@H](C)CN1CC(=O)OC 308391539 346296663 /nfs/dbraw/zinc/29/66/63/346296663.db2.gz ZSQPZFJWRMWVGG-IUCAKERBSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@@H]1C[C@@H](C)CN1CC(=O)OC 308391540 346296670 /nfs/dbraw/zinc/29/66/70/346296670.db2.gz ZSQPZFJWRMWVGG-RKDXNWHRSA-N 0 3 185.267 1.280 20 0 ADADHN C[C@@H](c1ccncc1)N(C)C[C@@H](C)O 308400130 346298125 /nfs/dbraw/zinc/29/81/25/346298125.db2.gz HLWLLRAHKQUAFI-ZJUUUORDSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@@H](O)CN(C)[C@H](C)c1ccncc1 308400127 346298334 /nfs/dbraw/zinc/29/83/34/346298334.db2.gz HLWLLRAHKQUAFI-NXEZZACHSA-N 0 3 194.278 1.455 20 0 ADADHN Cc1cc(CN(C)CCO)c(C)s1 308404519 346298951 /nfs/dbraw/zinc/29/89/51/346298951.db2.gz IWDCVUCAGRUFFQ-UHFFFAOYSA-N 0 3 199.319 1.789 20 0 ADADHN CCCN(CC(N)=O)C1CCCC1 308425549 346301807 /nfs/dbraw/zinc/30/18/07/346301807.db2.gz RAMKEHJJVNTOGO-UHFFFAOYSA-N 0 3 184.283 1.126 20 0 ADADHN CN(Cc1cccnc1)CC1CC1 308436363 346303134 /nfs/dbraw/zinc/30/31/34/346303134.db2.gz WSKZAKPFRCATSZ-UHFFFAOYSA-N 0 3 176.263 1.923 20 0 ADADHN CC[C@@H](C)NC(=O)[C@H](C)N1CCCC1 308448965 346303967 /nfs/dbraw/zinc/30/39/67/346303967.db2.gz AMBMMXWJQLXLAD-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C)NC(=O)[C@@H](C)N1CCCC1 308448964 346304119 /nfs/dbraw/zinc/30/41/19/346304119.db2.gz AMBMMXWJQLXLAD-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C)NC(=O)[C@H](C)N1CCCC1 308448963 346304127 /nfs/dbraw/zinc/30/41/27/346304127.db2.gz AMBMMXWJQLXLAD-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCCN(C)C(=O)CN(CC)CC 308464226 346304989 /nfs/dbraw/zinc/30/49/89/346304989.db2.gz INABREOHMIBQFW-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN CCN(CC)C(=O)[C@@H](C)N1CCCC1 308479050 346306072 /nfs/dbraw/zinc/30/60/72/346306072.db2.gz LQKJWVFKGSXXQX-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(CC)C(=O)[C@H](C)N1CCCC1 308479049 346306129 /nfs/dbraw/zinc/30/61/29/346306129.db2.gz LQKJWVFKGSXXQX-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCNC(=O)[C@H](CC)N(CC)CC 308498725 346307888 /nfs/dbraw/zinc/30/78/88/346307888.db2.gz VNNOORLKIMJGFV-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCNC(=O)[C@@H](CC)N(CC)CC 308498724 346307979 /nfs/dbraw/zinc/30/79/79/346307979.db2.gz VNNOORLKIMJGFV-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCN[C@H](C)C(=O)N1CCC(C)CC1 308507011 346309608 /nfs/dbraw/zinc/30/96/08/346309608.db2.gz JCVUAWUUQGAQIY-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCC(C)CC1 308507007 346309668 /nfs/dbraw/zinc/30/96/68/346309668.db2.gz JCVUAWUUQGAQIY-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN OCCCNC1(c2ccccc2)CC1 308520898 346310509 /nfs/dbraw/zinc/31/05/09/346310509.db2.gz SCRDCZBGFUHCGJ-UHFFFAOYSA-N 0 3 191.274 1.648 20 0 ADADHN CCN(CC)Cc1cccc(OC)n1 308519098 346310537 /nfs/dbraw/zinc/31/05/37/346310537.db2.gz WSZFKIISDJNIHJ-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CCCCNC(=O)[C@@H](C)N1CCCC1 308540596 346311349 /nfs/dbraw/zinc/31/13/49/346311349.db2.gz NUVZMCXFJZWSPE-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCNC(=O)[C@H](C)N1CCCC1 308540593 346311489 /nfs/dbraw/zinc/31/14/89/346311489.db2.gz NUVZMCXFJZWSPE-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)C(C)(C)NCc1cn(C)nn1 308544858 346311620 /nfs/dbraw/zinc/31/16/20/346311620.db2.gz VOPNGWIHLJVFFM-UHFFFAOYSA-N 0 3 196.298 1.339 20 0 ADADHN CC[C@@H](COC)NCc1cc(C)[nH]n1 308581054 346313484 /nfs/dbraw/zinc/31/34/84/346313484.db2.gz GMKHVGIXPQPUFK-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN CC[C@@H](COC)NCc1cc(C)n[nH]1 308581054 346313487 /nfs/dbraw/zinc/31/34/87/346313487.db2.gz GMKHVGIXPQPUFK-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN COCCNC1(c2ccccc2)CC1 308582040 346313533 /nfs/dbraw/zinc/31/35/33/346313533.db2.gz GVTKJFDQCHFYCN-UHFFFAOYSA-N 0 3 191.274 1.912 20 0 ADADHN CC[C@H](COC)NCc1cc(C)[nH]n1 308581053 346313606 /nfs/dbraw/zinc/31/36/06/346313606.db2.gz GMKHVGIXPQPUFK-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN CC[C@H](COC)NCc1cc(C)n[nH]1 308581053 346313609 /nfs/dbraw/zinc/31/36/09/346313609.db2.gz GMKHVGIXPQPUFK-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN Cc1ccoc1CN[C@@H](C)C(C)(C)O 308593091 346314313 /nfs/dbraw/zinc/31/43/13/346314313.db2.gz WTJSTPLKNITVCQ-VIFPVBQESA-N 0 3 197.278 1.837 20 0 ADADHN C[C@@](O)(CNCc1ccco1)C1CC1 308622444 346315341 /nfs/dbraw/zinc/31/53/41/346315341.db2.gz WYZXTVHMVAARTE-LLVKDONJSA-N 0 3 195.262 1.530 20 0 ADADHN CO[C@H](C)CCNCc1c[nH]nc1C 308631949 346316151 /nfs/dbraw/zinc/31/61/51/346316151.db2.gz ZIAIGHPQWYQRSX-MRVPVSSYSA-N 0 3 197.282 1.233 20 0 ADADHN CO[C@@H](C)CCNCc1c[nH]nc1C 308631950 346316194 /nfs/dbraw/zinc/31/61/94/346316194.db2.gz ZIAIGHPQWYQRSX-QMMMGPOBSA-N 0 3 197.282 1.233 20 0 ADADHN C[C@@]1(CNCc2ccco2)CCOC1 308651815 346316693 /nfs/dbraw/zinc/31/66/93/346316693.db2.gz KZSAOAXRMYDQGS-NSHDSACASA-N 0 3 195.262 1.796 20 0 ADADHN CC(C)N(C(=O)[C@@H](C)N)C1CCC1 308650468 346316880 /nfs/dbraw/zinc/31/68/80/346316880.db2.gz KCFXQPNZCZVODX-MRVPVSSYSA-N 0 3 184.283 1.123 20 0 ADADHN CC(C)N(C(=O)[C@H](C)N)C1CCC1 308650469 346317026 /nfs/dbraw/zinc/31/70/26/346317026.db2.gz KCFXQPNZCZVODX-QMMMGPOBSA-N 0 3 184.283 1.123 20 0 ADADHN C[C@]1(CNCc2ccco2)CCOC1 308651813 346317085 /nfs/dbraw/zinc/31/70/85/346317085.db2.gz KZSAOAXRMYDQGS-LLVKDONJSA-N 0 3 195.262 1.796 20 0 ADADHN CC[C@]1(C)CCCN(C(=O)CNC)C1 308924998 346320097 /nfs/dbraw/zinc/32/00/97/346320097.db2.gz KIIDNCODXYGIKA-LLVKDONJSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@@]1(C)CCCN(C(=O)CNC)C1 308924999 346320149 /nfs/dbraw/zinc/32/01/49/346320149.db2.gz KIIDNCODXYGIKA-NSHDSACASA-N 0 3 198.310 1.245 20 0 ADADHN Cc1nc(C)c(CNC[C@H](C)CO)o1 311791782 346321181 /nfs/dbraw/zinc/32/11/81/346321181.db2.gz RCSSJMSRLYLIFO-ZETCQYMHSA-N 0 3 198.266 1.009 20 0 ADADHN Cc1nc(C)c(CNC[C@@H](C)CO)o1 311791779 346321265 /nfs/dbraw/zinc/32/12/65/346321265.db2.gz RCSSJMSRLYLIFO-SSDOTTSWSA-N 0 3 198.266 1.009 20 0 ADADHN C[C@H]1COCCN1CCC1CC1 334141787 346326542 /nfs/dbraw/zinc/32/65/42/346326542.db2.gz LRWVNJBFKXYHRC-VIFPVBQESA-N 0 3 169.268 1.507 20 0 ADADHN CNC(=O)CN1CC[C@H](C)C(C)(C)C1 334143895 346326601 /nfs/dbraw/zinc/32/66/01/346326601.db2.gz FUJYOMGXDMQVKC-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN CC[C@H](C)CN1CCc2n[nH]cc2C1 334142381 346326670 /nfs/dbraw/zinc/32/66/70/346326670.db2.gz ABKVGDDESAZCGV-VIFPVBQESA-N 0 3 193.294 1.814 20 0 ADADHN C[C@H]1CCN(Cc2cncn2C)C1 334145407 346326791 /nfs/dbraw/zinc/32/67/91/346326791.db2.gz YFPPUGDHQLOGLL-VIFPVBQESA-N 0 3 179.267 1.262 20 0 ADADHN CNC(=O)CN1CC[C@@H](C)C(C)(C)C1 334143894 346327172 /nfs/dbraw/zinc/32/71/72/346327172.db2.gz FUJYOMGXDMQVKC-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN CC[C@H](C)CN1CCNC(=O)C1(C)C 334147334 346327195 /nfs/dbraw/zinc/32/71/95/346327195.db2.gz UBCMZSIRHDTDKM-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN Cc1nn(C)cc1CN1CC[C@H](C)C1 334153801 346327728 /nfs/dbraw/zinc/32/77/28/346327728.db2.gz PMKUEMOSYRLXRV-VIFPVBQESA-N 0 3 193.294 1.570 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1ccn(C)n1 334149830 346327808 /nfs/dbraw/zinc/32/78/08/346327808.db2.gz IYBCHMUWICWBIT-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN Cc1nn(C)cc1CN1CC[C@@H](C)C1 334153800 346328085 /nfs/dbraw/zinc/32/80/85/346328085.db2.gz PMKUEMOSYRLXRV-SECBINFHSA-N 0 3 193.294 1.570 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2ccn(C)n2)C1 334149829 346328127 /nfs/dbraw/zinc/32/81/27/346328127.db2.gz IYBCHMUWICWBIT-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2ccn(C)n2)C1 334149828 346328166 /nfs/dbraw/zinc/32/81/66/346328166.db2.gz IYBCHMUWICWBIT-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN Cc1n[nH]cc1CN1CCC[C@H](C)C1 334166815 346328619 /nfs/dbraw/zinc/32/86/19/346328619.db2.gz AQWBVYAWBZJMHW-VIFPVBQESA-N 0 3 193.294 1.950 20 0 ADADHN CC(C)[C@H]1CCN1Cc1cnn(C)c1 334165141 346328690 /nfs/dbraw/zinc/32/86/90/346328690.db2.gz AHTKRXSFBGDPGZ-LLVKDONJSA-N 0 3 193.294 1.650 20 0 ADADHN Cc1n[nH]cc1CN1CCC[C@@H](C)C1 334166797 346328736 /nfs/dbraw/zinc/32/87/36/346328736.db2.gz AQWBVYAWBZJMHW-SECBINFHSA-N 0 3 193.294 1.950 20 0 ADADHN CN(Cc1cccs1)[C@@H]1CCOC1 334172314 346329583 /nfs/dbraw/zinc/32/95/83/346329583.db2.gz BQZNCUSZDHSGRS-SECBINFHSA-N 0 3 197.303 1.969 20 0 ADADHN CN(Cc1cccs1)[C@H]1CCOC1 334172340 346330085 /nfs/dbraw/zinc/33/00/85/346330085.db2.gz BQZNCUSZDHSGRS-VIFPVBQESA-N 0 3 197.303 1.969 20 0 ADADHN CN(Cc1cnc[nH]1)[C@@H]1CCCOC1 334179692 346329829 /nfs/dbraw/zinc/32/98/29/346329829.db2.gz DMTWEHCWKOKWDH-SNVBAGLBSA-N 0 3 195.266 1.021 20 0 ADADHN CN(Cc1cnc[nH]1)[C@H]1CCCOC1 334179682 346329988 /nfs/dbraw/zinc/32/99/88/346329988.db2.gz DMTWEHCWKOKWDH-JTQLQIEISA-N 0 3 195.266 1.021 20 0 ADADHN Cc1n[nH]cc1CN1CCC12CCC2 334181563 346330003 /nfs/dbraw/zinc/33/00/03/346330003.db2.gz DGJDCCNDXQCTRO-UHFFFAOYSA-N 0 3 191.278 1.847 20 0 ADADHN CC[C@H]1CCCN(Cc2cn[nH]n2)C1 334187545 346330346 /nfs/dbraw/zinc/33/03/46/346330346.db2.gz IACCRROJRRFJCK-VIFPVBQESA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@H]1CCCN(Cc2c[nH]nn2)C1 334187545 346330350 /nfs/dbraw/zinc/33/03/50/346330350.db2.gz IACCRROJRRFJCK-VIFPVBQESA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@@H]1CCCN(Cc2cn[nH]n2)C1 334187539 346330464 /nfs/dbraw/zinc/33/04/64/346330464.db2.gz IACCRROJRRFJCK-SECBINFHSA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@@H]1CCCN(Cc2c[nH]nn2)C1 334187539 346330467 /nfs/dbraw/zinc/33/04/67/346330467.db2.gz IACCRROJRRFJCK-SECBINFHSA-N 0 3 194.282 1.427 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1ccn(C)n1 334186789 346330478 /nfs/dbraw/zinc/33/04/78/346330478.db2.gz HBGGQLOEWGJPQZ-UWVGGRQHSA-N 0 3 193.294 1.793 20 0 ADADHN CC[C@H]1CCN(Cc2ccn(C)n2)C1 334185759 346330581 /nfs/dbraw/zinc/33/05/81/346330581.db2.gz FMKVIPPFXNVSSS-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN C[C@H]1CCCCN1Cc1ccnn1C 334197774 346331183 /nfs/dbraw/zinc/33/11/83/346331183.db2.gz MDXQWZBEQOYNQU-JTQLQIEISA-N 0 3 193.294 1.795 20 0 ADADHN CCn1nccc1CN1CC[C@@H](C)C1 334193544 346331311 /nfs/dbraw/zinc/33/13/11/346331311.db2.gz INCBBEAKTJDCKR-SNVBAGLBSA-N 0 3 193.294 1.745 20 0 ADADHN CCn1nccc1CN1CC[C@H](C)C1 334193405 346331745 /nfs/dbraw/zinc/33/17/45/346331745.db2.gz INCBBEAKTJDCKR-JTQLQIEISA-N 0 3 193.294 1.745 20 0 ADADHN C[C@H]1CN(CC2CCOCC2)CCO1 334205112 346332078 /nfs/dbraw/zinc/33/20/78/346332078.db2.gz TZFULDNYDYOVSE-JTQLQIEISA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1CN(CC2CC2)C[C@@H](C)O1 334216778 346332121 /nfs/dbraw/zinc/33/21/21/346332121.db2.gz GLAZYGDMATVBOW-DTORHVGOSA-N 0 3 169.268 1.506 20 0 ADADHN CC(C)NC(=O)CN1CCC(C)(C)C1 334211451 346332271 /nfs/dbraw/zinc/33/22/71/346332271.db2.gz YWTZUUAJANMYKI-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1n[nH]cc1CN1CCC(C)(C)C1 334213513 346332293 /nfs/dbraw/zinc/33/22/93/346332293.db2.gz FZVSOXPJEQLMAX-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN CCn1cc(CN2CC[C@H](C)C2)cn1 334228108 346333311 /nfs/dbraw/zinc/33/33/11/346333311.db2.gz GLBMPUYJPOVAPH-JTQLQIEISA-N 0 3 193.294 1.745 20 0 ADADHN Cc1noc(C)c1CCN1CCCC1 334231863 346333386 /nfs/dbraw/zinc/33/33/86/346333386.db2.gz VDAGJCGMWZUWBC-UHFFFAOYSA-N 0 3 194.278 1.930 20 0 ADADHN CCn1cc(CN2CC[C@@H](C)C2)cn1 334228110 346333409 /nfs/dbraw/zinc/33/34/09/346333409.db2.gz GLBMPUYJPOVAPH-SNVBAGLBSA-N 0 3 193.294 1.745 20 0 ADADHN CC1CCN(CCn2cncn2)CC1 334230340 346333754 /nfs/dbraw/zinc/33/37/54/346333754.db2.gz RRQQNYUKKLLODB-UHFFFAOYSA-N 0 3 194.282 1.010 20 0 ADADHN C[C@H]1C[C@@H](C)CN(Cc2cn[nH]n2)C1 334245514 346334353 /nfs/dbraw/zinc/33/43/53/346334353.db2.gz RWKGKEAPQAWBHN-DTORHVGOSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H]1C[C@@H](C)CN(Cc2c[nH]nn2)C1 334245514 346334355 /nfs/dbraw/zinc/33/43/55/346334355.db2.gz RWKGKEAPQAWBHN-DTORHVGOSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H]1C[C@H](C)CN(Cc2cn[nH]n2)C1 334245515 346334384 /nfs/dbraw/zinc/33/43/84/346334384.db2.gz RWKGKEAPQAWBHN-IUCAKERBSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H]1C[C@H](C)CN(Cc2c[nH]nn2)C1 334245515 346334387 /nfs/dbraw/zinc/33/43/87/346334387.db2.gz RWKGKEAPQAWBHN-IUCAKERBSA-N 0 3 194.282 1.283 20 0 ADADHN CC1(C)CN(C[C@@H]2CCOC2)CCO1 334252728 346335292 /nfs/dbraw/zinc/33/52/92/346335292.db2.gz WLFLHQNNIGIGHJ-JTQLQIEISA-N 0 3 199.294 1.134 20 0 ADADHN CC1(CNC(=O)[C@@H]2C[C@@H]2N)CCCC1 334249541 346335311 /nfs/dbraw/zinc/33/53/11/346335311.db2.gz WDTMFSBICQZZAN-BDAKNGLRSA-N 0 3 196.294 1.030 20 0 ADADHN CN(C[C@@H]1CCCCO1)C1CC(O)C1 334249658 346335440 /nfs/dbraw/zinc/33/54/40/346335440.db2.gz WUCRAVHKHSTTLY-ILDUYXDCSA-N 0 3 199.294 1.011 20 0 ADADHN CN(C[C@H]1CCCCO1)C1CC(O)C1 334249660 346335470 /nfs/dbraw/zinc/33/54/70/346335470.db2.gz WUCRAVHKHSTTLY-VQXHTEKXSA-N 0 3 199.294 1.011 20 0 ADADHN CC1(C)CN(C[C@H]2CCOC2)CCO1 334252729 346335529 /nfs/dbraw/zinc/33/55/29/346335529.db2.gz WLFLHQNNIGIGHJ-SNVBAGLBSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1C[C@H](C)CN(Cc2cc[nH]n2)C1 334268388 346335832 /nfs/dbraw/zinc/33/58/32/346335832.db2.gz BZHFTGRRCXKTMN-UWVGGRQHSA-N 0 3 193.294 1.888 20 0 ADADHN CC1=CCN(Cc2c[nH]nc2C)CC1 334269031 346335910 /nfs/dbraw/zinc/33/59/10/346335910.db2.gz QDVVNQBXDDSKLO-UHFFFAOYSA-N 0 3 191.278 1.870 20 0 ADADHN C[C@H]1C[C@@H](C)CN(Cc2cc[nH]n2)C1 334268384 346335951 /nfs/dbraw/zinc/33/59/51/346335951.db2.gz BZHFTGRRCXKTMN-AOOOYVTPSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@H]1CC[C@H](N(C)CC(=O)N(C)C)C1 334268445 346336136 /nfs/dbraw/zinc/33/61/36/346336136.db2.gz CAHXLLKCQQOPPE-UWVGGRQHSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H]1CC[C@@H](N(C)CC(=O)N(C)C)C1 334268447 346336251 /nfs/dbraw/zinc/33/62/51/346336251.db2.gz CAHXLLKCQQOPPE-VHSXEESVSA-N 0 3 198.310 1.195 20 0 ADADHN CN(C[C@H]1CCCCO1)C1CC1 334272542 346336648 /nfs/dbraw/zinc/33/66/48/346336648.db2.gz XKJLRNKFERGUPH-SNVBAGLBSA-N 0 3 169.268 1.650 20 0 ADADHN C[C@H]1CN(CC2CC2)[C@H](C)CO1 334272228 346336892 /nfs/dbraw/zinc/33/68/92/346336892.db2.gz WUNXRJFFEHCXMK-BDAKNGLRSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@H]1CO[C@H](C)CN1CC1CC1 334272229 346336938 /nfs/dbraw/zinc/33/69/38/346336938.db2.gz WUNXRJFFEHCXMK-DTWKUNHWSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@H]1COCCN(C[C@H]2CCCO2)C1 334273379 346336971 /nfs/dbraw/zinc/33/69/71/346336971.db2.gz ZAGIJQLMXUPHJX-GHMZBOCLSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1CCCN(CC(=O)N(C)C)CC1 334270937 346337012 /nfs/dbraw/zinc/33/70/12/346337012.db2.gz GFMAUZZEOBVPOQ-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN C[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1C 334277715 346337034 /nfs/dbraw/zinc/33/70/34/346337034.db2.gz TTYZYUINEAXEHU-UWVGGRQHSA-N 0 3 198.310 1.053 20 0 ADADHN CC[C@H](O)CN1CCOCC12CCC2 334273680 346337056 /nfs/dbraw/zinc/33/70/56/346337056.db2.gz LBLASKGWWJXPSE-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN CC1(C)CN(CC2CC2)CCO1 334272092 346337084 /nfs/dbraw/zinc/33/70/84/346337084.db2.gz WNVGOXUIHCJEJO-UHFFFAOYSA-N 0 3 169.268 1.507 20 0 ADADHN C[C@H]1CCN(CC(=O)N(C)C)C[C@H]1C 334277716 346337105 /nfs/dbraw/zinc/33/71/05/346337105.db2.gz TTYZYUINEAXEHU-VHSXEESVSA-N 0 3 198.310 1.053 20 0 ADADHN C[C@H]1[C@@H](C)OCCN1CC1CC1 334272779 346337113 /nfs/dbraw/zinc/33/71/13/346337113.db2.gz XWIHJCWFXDHQMH-DTWKUNHWSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@H]1OCCN(CC2CC2)[C@@H]1C 334272782 346337162 /nfs/dbraw/zinc/33/71/62/346337162.db2.gz XWIHJCWFXDHQMH-RKDXNWHRSA-N 0 3 169.268 1.506 20 0 ADADHN CN(C[C@@H]1CCCCO1)C1CC1 334272541 346337170 /nfs/dbraw/zinc/33/71/70/346337170.db2.gz XKJLRNKFERGUPH-JTQLQIEISA-N 0 3 169.268 1.650 20 0 ADADHN C[C@H]1CN(CC2CC2)[C@@H](C)CO1 334272230 346337242 /nfs/dbraw/zinc/33/72/42/346337242.db2.gz WUNXRJFFEHCXMK-IUCAKERBSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@H]1COCCN(C[C@@H]2CCCO2)C1 334273380 346337380 /nfs/dbraw/zinc/33/73/80/346337380.db2.gz ZAGIJQLMXUPHJX-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@@H](O)CN1CCOCC12CCC2 334273681 346337400 /nfs/dbraw/zinc/33/74/00/346337400.db2.gz LBLASKGWWJXPSE-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN CC[C@H]1CCCCN1CC(=O)N(C)C 334284914 346337783 /nfs/dbraw/zinc/33/77/83/346337783.db2.gz BMKHFFWVAPFDTO-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCCN1CCN(C(C)=O)CC1(C)C 334282876 346338280 /nfs/dbraw/zinc/33/82/80/346338280.db2.gz INIAENJINBMIPJ-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CN(C[C@H]1CCCO1)[C@H]1CCCOC1 334298438 346338685 /nfs/dbraw/zinc/33/86/85/346338685.db2.gz DWSCRVUDJYUKKW-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1cncn1C 334304132 346338964 /nfs/dbraw/zinc/33/89/64/346338964.db2.gz BXOCEULBXLDJLT-UWVGGRQHSA-N 0 3 193.294 1.793 20 0 ADADHN CN(C[C@@H]1CCCO1)[C@@H]1CCCOC1 334298436 346339128 /nfs/dbraw/zinc/33/91/28/346339128.db2.gz DWSCRVUDJYUKKW-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN CN(C[C@@H]1CCCO1)[C@H]1CCCOC1 334298437 346339284 /nfs/dbraw/zinc/33/92/84/346339284.db2.gz DWSCRVUDJYUKKW-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN CN(C[C@H]1CCCO1)[C@@H]1CCCOC1 334298435 346339309 /nfs/dbraw/zinc/33/93/09/346339309.db2.gz DWSCRVUDJYUKKW-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN C[C@H]1CC[C@@H](CN(C)C2CC2)O1 334309416 346339569 /nfs/dbraw/zinc/33/95/69/346339569.db2.gz MQFQVOJLDRLHQA-WPRPVWTQSA-N 0 3 169.268 1.648 20 0 ADADHN CC[C@H](C)CN1CCOC[C@@H]1C 334313912 346339652 /nfs/dbraw/zinc/33/96/52/346339652.db2.gz ZTIJPONQLUQWDK-UWVGGRQHSA-N 0 3 171.284 1.753 20 0 ADADHN C[C@H](O)CCN1CCOCC12CCC2 334309711 346339779 /nfs/dbraw/zinc/33/97/79/346339779.db2.gz NCTWNCLIDQDHOL-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN C[C@H]1CN(Cc2ccn(C)n2)C[C@@H]1C 334313037 346339927 /nfs/dbraw/zinc/33/99/27/346339927.db2.gz VCEKTYLEBCXSAH-UWVGGRQHSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1ccn(C)n1 334313757 346339974 /nfs/dbraw/zinc/33/99/74/346339974.db2.gz YMQJFBVEJPPYAV-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN CC(C)[C@H]1CN(CCO)CCS1 334311791 346339997 /nfs/dbraw/zinc/33/99/97/346339997.db2.gz RWWMVDHLAYALBW-SECBINFHSA-N 0 3 189.324 1.052 20 0 ADADHN C[C@H]1CC[C@H](CN(C)C2CC2)O1 334309415 346340039 /nfs/dbraw/zinc/34/00/39/346340039.db2.gz MQFQVOJLDRLHQA-WCBMZHEXSA-N 0 3 169.268 1.648 20 0 ADADHN C[C@H]1CCN(Cc2ccn(C)n2)[C@H]1C 334313755 346340091 /nfs/dbraw/zinc/34/00/91/346340091.db2.gz YMQJFBVEJPPYAV-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CN(Cc2cnc[nH]2)CCCO1 334318316 346340122 /nfs/dbraw/zinc/34/01/22/346340122.db2.gz RYNNBTKLSSDWNK-VIFPVBQESA-N 0 3 195.266 1.021 20 0 ADADHN CCCN1CCC[C@@H]1C(=O)N1CCC1 334325563 346340361 /nfs/dbraw/zinc/34/03/61/346340361.db2.gz KXIJFFIDDVIGOG-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN CC[C@H]1CCCN(CC(=O)N(C)C)C1 334331750 346340464 /nfs/dbraw/zinc/34/04/64/346340464.db2.gz QAPJSYJKLDDVHJ-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H]1CCCN(CC(=O)N(C)C)C1 334331751 346340508 /nfs/dbraw/zinc/34/05/08/346340508.db2.gz QAPJSYJKLDDVHJ-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN CCCN1CCC[C@H]1C(=O)N1CCC1 334325558 346340564 /nfs/dbraw/zinc/34/05/64/346340564.db2.gz KXIJFFIDDVIGOG-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN CNC(=O)[C@H]1CCCN1CC=C(C)C 334321590 346340591 /nfs/dbraw/zinc/34/05/91/346340591.db2.gz HZDJUYOJOKMNCF-SNVBAGLBSA-N 0 3 196.294 1.163 20 0 ADADHN Cc1nn(C)cc1CN1CCC[C@@H]1C 334327783 346340791 /nfs/dbraw/zinc/34/07/91/346340791.db2.gz CFACSLYWZNTLHR-VIFPVBQESA-N 0 3 193.294 1.713 20 0 ADADHN Cc1nn(C)cc1CN1CCC[C@H]1C 334327780 346340852 /nfs/dbraw/zinc/34/08/52/346340852.db2.gz CFACSLYWZNTLHR-SECBINFHSA-N 0 3 193.294 1.713 20 0 ADADHN CN1CC[C@H](c2nc(C3CC3)no2)C1 334336218 346341339 /nfs/dbraw/zinc/34/13/39/346341339.db2.gz SADFYHUODAJUJP-QMMMGPOBSA-N 0 3 193.250 1.366 20 0 ADADHN CN1CC[C@@H](c2nc(C3CC3)no2)C1 334336217 346341731 /nfs/dbraw/zinc/34/17/31/346341731.db2.gz SADFYHUODAJUJP-MRVPVSSYSA-N 0 3 193.250 1.366 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1ccnn1C 334352471 346342846 /nfs/dbraw/zinc/34/28/46/346342846.db2.gz HGKSIDWGGOXMQK-UWVGGRQHSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@H]1CCN(Cc2cnnn2C)[C@H]1C 334369261 346343320 /nfs/dbraw/zinc/34/33/20/346343320.db2.gz UDTBKFZOEKPCOP-IUCAKERBSA-N 0 3 194.282 1.045 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1cnnn1C 334369259 346343679 /nfs/dbraw/zinc/34/36/79/346343679.db2.gz UDTBKFZOEKPCOP-BDAKNGLRSA-N 0 3 194.282 1.045 20 0 ADADHN C[C@H]1CCN(Cc2cnnn2C)[C@@H]1C 334369260 346343897 /nfs/dbraw/zinc/34/38/97/346343897.db2.gz UDTBKFZOEKPCOP-DTWKUNHWSA-N 0 3 194.282 1.045 20 0 ADADHN CC[C@H](C)CN1CC(=O)NCC1(C)C 334389028 346344334 /nfs/dbraw/zinc/34/43/34/346344334.db2.gz RHUFELIDGYKYDL-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](c1cccnc1)N1CC[C@@H](O)C1 334409935 346345636 /nfs/dbraw/zinc/34/56/36/346345636.db2.gz MIFFYFVYDLXXCE-MWLCHTKSSA-N 0 3 192.262 1.209 20 0 ADADHN CCCN1CCc2nc(C)ncc2C1 334415875 346346364 /nfs/dbraw/zinc/34/63/64/346346364.db2.gz NOYXNYBTMJQHFA-UHFFFAOYSA-N 0 3 191.278 1.553 20 0 ADADHN CN(CC1=CCCOC1)[C@@H]1CCOC1 334426871 346346976 /nfs/dbraw/zinc/34/69/76/346346976.db2.gz WHFJRJBJLGFLHL-LLVKDONJSA-N 0 3 197.278 1.054 20 0 ADADHN CN(CC1=CCCOC1)[C@H]1CCOC1 334426873 346346997 /nfs/dbraw/zinc/34/69/97/346346997.db2.gz WHFJRJBJLGFLHL-NSHDSACASA-N 0 3 197.278 1.054 20 0 ADADHN CC[C@@H]1CCCN1Cc1ccnn1C 334445136 346347558 /nfs/dbraw/zinc/34/75/58/346347558.db2.gz IIBVUGKPSGLMJT-SNVBAGLBSA-N 0 3 193.294 1.795 20 0 ADADHN CCCCN1CCCN(C(C)=O)CC1 334438095 346347592 /nfs/dbraw/zinc/34/75/92/346347592.db2.gz JFAQQMUSFMKXDE-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CC[C@H]1CCCN1Cc1ccnn1C 334445135 346347852 /nfs/dbraw/zinc/34/78/52/346347852.db2.gz IIBVUGKPSGLMJT-JTQLQIEISA-N 0 3 193.294 1.795 20 0 ADADHN CC(C)[C@H]1CCN1Cc1cncn1C 334468494 346348713 /nfs/dbraw/zinc/34/87/13/346348713.db2.gz GFKDPGBVYJFZAC-LLVKDONJSA-N 0 3 193.294 1.650 20 0 ADADHN CC(C)[C@@H]1CCN1Cc1cncn1C 334468495 346349129 /nfs/dbraw/zinc/34/91/29/346349129.db2.gz GFKDPGBVYJFZAC-NSHDSACASA-N 0 3 193.294 1.650 20 0 ADADHN CC1=CCCN(Cc2c[nH]nc2C)C1 334494302 346350568 /nfs/dbraw/zinc/35/05/68/346350568.db2.gz YETPJCQUEZQALJ-UHFFFAOYSA-N 0 3 191.278 1.870 20 0 ADADHN CCC1(C)CN(Cc2[nH]ncc2C)C1 334512328 346350660 /nfs/dbraw/zinc/35/06/60/346350660.db2.gz FOKZMLFTKWZJMU-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN CCC1CN(Cc2ccn(C)c2)C1 334522005 346351167 /nfs/dbraw/zinc/35/11/67/346351167.db2.gz JDUBXZAQVVVLHZ-UHFFFAOYSA-N 0 3 178.279 1.867 20 0 ADADHN C[C@H](O)CN1CC[C@H]1c1ccccc1 334518036 346351400 /nfs/dbraw/zinc/35/14/00/346351400.db2.gz FRLZPYNTVFNGBC-JQWIXIFHSA-N 0 3 191.274 1.814 20 0 ADADHN C[C@H](NC1CC(C)(F)C1)c1cn[nH]c1 334519451 346351527 /nfs/dbraw/zinc/35/15/27/346351527.db2.gz ILXPIORLWAKGRS-WFRXLMHJSA-N 0 3 197.257 1.951 20 0 ADADHN C[C@H](O)CN1CC[C@@H]1c1ccccc1 334518033 346351662 /nfs/dbraw/zinc/35/16/62/346351662.db2.gz FRLZPYNTVFNGBC-CMPLNLGQSA-N 0 3 191.274 1.814 20 0 ADADHN CCC1CN(Cc2c(C)n[nH]c2C)C1 334523027 346352321 /nfs/dbraw/zinc/35/23/21/346352321.db2.gz XLFCPVSOZXEAGM-UHFFFAOYSA-N 0 3 193.294 1.868 20 0 ADADHN CNC(=O)CN1CCCCC(C)(C)C1 334537361 346352938 /nfs/dbraw/zinc/35/29/38/346352938.db2.gz FLRIOGBRBMTLQM-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN Cc1nc(CN2CCCCCC2)n[nH]1 334538201 346353487 /nfs/dbraw/zinc/35/34/87/346353487.db2.gz YDUVOKLGUGRRLB-UHFFFAOYSA-N 0 3 194.282 1.489 20 0 ADADHN CC[C@@H]1CCCN1Cc1cnccn1 334559458 346353909 /nfs/dbraw/zinc/35/39/09/346353909.db2.gz WHNSWNNTTHNLCY-LLVKDONJSA-N 0 3 191.278 1.851 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1cnccn1 334565773 346353953 /nfs/dbraw/zinc/35/39/53/346353953.db2.gz RXDIYENZKLOONG-UWVGGRQHSA-N 0 3 191.278 1.849 20 0 ADADHN CC1(C)CCCN1Cc1cnccn1 334557503 346354014 /nfs/dbraw/zinc/35/40/14/346354014.db2.gz BQLOFGLJMAJIQV-UHFFFAOYSA-N 0 3 191.278 1.851 20 0 ADADHN C[C@H]1CCCN(Cc2cnccn2)C1 334555291 346354025 /nfs/dbraw/zinc/35/40/25/346354025.db2.gz UMCLQGPVKRHZHY-JTQLQIEISA-N 0 3 191.278 1.709 20 0 ADADHN CC1(C)CCN(Cc2cnccn2)C1 334558296 346354091 /nfs/dbraw/zinc/35/40/91/346354091.db2.gz IADHALFNRWCGDX-UHFFFAOYSA-N 0 3 191.278 1.709 20 0 ADADHN CC[C@H]1CCN(Cc2cnccn2)C1 334564712 346354258 /nfs/dbraw/zinc/35/42/58/346354258.db2.gz NJVKOHRYXGMVKH-JTQLQIEISA-N 0 3 191.278 1.709 20 0 ADADHN C[C@H](O)CN1CCC[C@H]1c1ccc[nH]1 334567882 346354459 /nfs/dbraw/zinc/35/44/59/346354459.db2.gz WKZKHOGLMCRQSJ-ONGXEEELSA-N 0 3 194.278 1.532 20 0 ADADHN C[C@H]1CCN(Cc2cnccn2)C1 334566820 346354495 /nfs/dbraw/zinc/35/44/95/346354495.db2.gz VHKBUKSEPCMETD-VIFPVBQESA-N 0 3 177.251 1.318 20 0 ADADHN CC[C@H]1CCCN1Cc1cnccn1 334559459 346354518 /nfs/dbraw/zinc/35/45/18/346354518.db2.gz WHNSWNNTTHNLCY-NSHDSACASA-N 0 3 191.278 1.851 20 0 ADADHN C[C@H]1CCN(Cc2cnccn2)[C@@H]1C 334581673 346355104 /nfs/dbraw/zinc/35/51/04/346355104.db2.gz MSKPLSGUUCZRGC-VHSXEESVSA-N 0 3 191.278 1.707 20 0 ADADHN C[C@H](O)CN1CCC[C@@H]1c1ccc[nH]1 334567880 346354570 /nfs/dbraw/zinc/35/45/70/346354570.db2.gz WKZKHOGLMCRQSJ-GXSJLCMTSA-N 0 3 194.278 1.532 20 0 ADADHN C[C@H]1CCCCN1Cc1cnccn1 334556729 346354577 /nfs/dbraw/zinc/35/45/77/346354577.db2.gz UNNBQWHSCHYMJO-JTQLQIEISA-N 0 3 191.278 1.851 20 0 ADADHN C[C@H]1C[C@H]1CN1CCOC2(CCC2)C1 334569430 346354759 /nfs/dbraw/zinc/35/47/59/346354759.db2.gz PLORLQPVRDWSBE-QWRGUYRKSA-N 0 3 195.306 1.897 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1cnccn1 334581674 346354980 /nfs/dbraw/zinc/35/49/80/346354980.db2.gz MSKPLSGUUCZRGC-ZJUUUORDSA-N 0 3 191.278 1.707 20 0 ADADHN CCC(=O)N(C)C[C@H]1CCCN(C)C1 334570016 346354989 /nfs/dbraw/zinc/35/49/89/346354989.db2.gz FOKKCFSBUUWFFL-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CCC(=O)N(C)C[C@@H]1CCCN(C)C1 334570018 346355010 /nfs/dbraw/zinc/35/50/10/346355010.db2.gz FOKKCFSBUUWFFL-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@H]1CCN(Cc2cnccn2)[C@H]1C 334581671 346355145 /nfs/dbraw/zinc/35/51/45/346355145.db2.gz MSKPLSGUUCZRGC-UWVGGRQHSA-N 0 3 191.278 1.707 20 0 ADADHN Cc1cn[nH]c1CN(C)[C@@H]1CC1(C)C 334599063 346355728 /nfs/dbraw/zinc/35/57/28/346355728.db2.gz FHLGJUXXZPIFMQ-SNVBAGLBSA-N 0 3 193.294 1.948 20 0 ADADHN Cc1c[nH]nc1CN1CCC[C@@H](C)C1 334599688 346355832 /nfs/dbraw/zinc/35/58/32/346355832.db2.gz RTRUCPRYHBHLHB-SECBINFHSA-N 0 3 193.294 1.950 20 0 ADADHN Cc1c[nH]nc1CN1CCC[C@H](C)C1 334599689 346355846 /nfs/dbraw/zinc/35/58/46/346355846.db2.gz RTRUCPRYHBHLHB-VIFPVBQESA-N 0 3 193.294 1.950 20 0 ADADHN Cc1cc(CN2CC[C@H](C)C2)n(C)n1 334603518 346356253 /nfs/dbraw/zinc/35/62/53/346356253.db2.gz LVHUSTLAINEATP-VIFPVBQESA-N 0 3 193.294 1.570 20 0 ADADHN Cc1cc(CN2CC[C@@H](C)C2)n(C)n1 334603517 346356359 /nfs/dbraw/zinc/35/63/59/346356359.db2.gz LVHUSTLAINEATP-SECBINFHSA-N 0 3 193.294 1.570 20 0 ADADHN CCn1cncc1CN1CCC[C@H]1C 334602993 346356376 /nfs/dbraw/zinc/35/63/76/346356376.db2.gz VTLZZHCDCDXBFG-SNVBAGLBSA-N 0 3 193.294 1.887 20 0 ADADHN CCn1cncc1CN1CC[C@@H](C)C1 334605936 346356399 /nfs/dbraw/zinc/35/63/99/346356399.db2.gz ZTCGGXVNLYOJHT-SNVBAGLBSA-N 0 3 193.294 1.745 20 0 ADADHN Cc1cc(CN2CCC[C@@H]2C)n(C)n1 334602375 346356411 /nfs/dbraw/zinc/35/64/11/346356411.db2.gz NUDSBSWUGMRWQF-JTQLQIEISA-N 0 3 193.294 1.713 20 0 ADADHN Cc1cc(CN2CCC[C@H]2C)n(C)n1 334602376 346356531 /nfs/dbraw/zinc/35/65/31/346356531.db2.gz NUDSBSWUGMRWQF-SNVBAGLBSA-N 0 3 193.294 1.713 20 0 ADADHN CCn1cncc1CN1CCC[C@@H]1C 334602991 346356639 /nfs/dbraw/zinc/35/66/39/346356639.db2.gz VTLZZHCDCDXBFG-JTQLQIEISA-N 0 3 193.294 1.887 20 0 ADADHN CCn1cncc1CN1CC[C@H](C)C1 334605935 346356650 /nfs/dbraw/zinc/35/66/50/346356650.db2.gz ZTCGGXVNLYOJHT-JTQLQIEISA-N 0 3 193.294 1.745 20 0 ADADHN Cc1cnccc1CN1CCCC1 334606245 346356708 /nfs/dbraw/zinc/35/67/08/346356708.db2.gz TUFUNZNBRWLOPO-UHFFFAOYSA-N 0 3 176.263 1.986 20 0 ADADHN CC(C)[C@H](C(=O)N1CCCC1)N(C)C 334625568 346357047 /nfs/dbraw/zinc/35/70/47/346357047.db2.gz ZQEQKDFGUNRTOU-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@@H](O)C2)nc1 334619695 346357099 /nfs/dbraw/zinc/35/70/99/346357099.db2.gz CQLVHDKENAGJMM-PHIMTYICSA-N 0 3 192.262 1.003 20 0 ADADHN C[C@H]1CN(CCO)[C@H]1c1ccccc1 334615076 346357132 /nfs/dbraw/zinc/35/71/32/346357132.db2.gz RVBJYWLHYULMFS-CMPLNLGQSA-N 0 3 191.274 1.672 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@@H](O)C2)s1 334620585 346357199 /nfs/dbraw/zinc/35/71/99/346357199.db2.gz PKGKLDYPDAXXTG-DTORHVGOSA-N 0 3 197.303 1.669 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@@H](O)C2)o1 334621532 346357295 /nfs/dbraw/zinc/35/72/95/346357295.db2.gz UDJHTEPNMJFAQW-DTORHVGOSA-N 0 3 181.235 1.201 20 0 ADADHN Cc1ccsc1CN[C@H]1C[C@@H](O)C1 334618741 346357335 /nfs/dbraw/zinc/35/73/35/346357335.db2.gz GCJPEFAJOLUTNS-DTORHVGOSA-N 0 3 197.303 1.669 20 0 ADADHN Cc1cccc(CN[C@H]2C[C@@H](O)C2)c1 334618910 346357450 /nfs/dbraw/zinc/35/74/50/346357450.db2.gz IAMRDZURGSCBED-TXEJJXNPSA-N 0 3 191.274 1.608 20 0 ADADHN C[C@H]1CN(CCO)[C@@H]1c1ccccc1 334615079 346357501 /nfs/dbraw/zinc/35/75/01/346357501.db2.gz RVBJYWLHYULMFS-JQWIXIFHSA-N 0 3 191.274 1.672 20 0 ADADHN Cc1ncc(CN[C@H]2C[C@@H](O)C2)s1 334622300 346357572 /nfs/dbraw/zinc/35/75/72/346357572.db2.gz UTXNNCYRCRKWEF-OCAPTIKFSA-N 0 3 198.291 1.064 20 0 ADADHN CC1=CCCN(CCc2cn[nH]c2)C1 334647172 346358892 /nfs/dbraw/zinc/35/88/92/346358892.db2.gz ZQZUJOHIDNMNPR-UHFFFAOYSA-N 0 3 191.278 1.604 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1cn[nH]n1 334654736 346359066 /nfs/dbraw/zinc/35/90/66/346359066.db2.gz PDWOQAPHABVPIU-SFYZADRCSA-N 0 3 180.255 1.035 20 0 ADADHN CC(C)N1CCCc2c(cnn2C)C1 334644650 346359082 /nfs/dbraw/zinc/35/90/82/346359082.db2.gz KBHWVFRJXUFIPI-UHFFFAOYSA-N 0 3 193.294 1.577 20 0 ADADHN CN(C)C(=O)CN(C)C1CC(C)(C)C1 334646321 346359136 /nfs/dbraw/zinc/35/91/36/346359136.db2.gz WCXPUIKZADGRQC-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CCCN1CCCc2c(cnn2C)C1 334646365 346359178 /nfs/dbraw/zinc/35/91/78/346359178.db2.gz PFMVDWXIVLGJNX-UHFFFAOYSA-N 0 3 193.294 1.578 20 0 ADADHN C[C@H]1CCN(Cc2cn[nH]n2)[C@H]1C 334654737 346359190 /nfs/dbraw/zinc/35/91/90/346359190.db2.gz PDWOQAPHABVPIU-YUMQZZPRSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@H]1CCN(Cc2cn[nH]n2)[C@@H]1C 334654735 346359204 /nfs/dbraw/zinc/35/92/04/346359204.db2.gz PDWOQAPHABVPIU-JGVFFNPUSA-N 0 3 180.255 1.035 20 0 ADADHN CN(CC(=O)N1CCCC1)C1CCC1 334663035 346359707 /nfs/dbraw/zinc/35/97/07/346359707.db2.gz IOTHEVPDRXURBL-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CC[C@H]1CCN(Cc2cn[nH]n2)C1 334679685 346360484 /nfs/dbraw/zinc/36/04/84/346360484.db2.gz XKXSNBJZLYSOKC-QMMMGPOBSA-N 0 3 180.255 1.037 20 0 ADADHN CC[C@H]1CCN(Cc2c[nH]nn2)C1 334679685 346360488 /nfs/dbraw/zinc/36/04/88/346360488.db2.gz XKXSNBJZLYSOKC-QMMMGPOBSA-N 0 3 180.255 1.037 20 0 ADADHN CN(C(=O)CN1CCCCC1)C1CC1 334710532 346361352 /nfs/dbraw/zinc/36/13/52/346361352.db2.gz KSTOIYBDRXUQBQ-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CC(C)c1nccn1Cc1c[nH]nn1 334707758 346361395 /nfs/dbraw/zinc/36/13/95/346361395.db2.gz LMTPSGKAPHWNKD-UHFFFAOYSA-N 0 3 191.238 1.173 20 0 ADADHN C[C@H]1CCCN1Cc1cnccn1 334706713 346361702 /nfs/dbraw/zinc/36/17/02/346361702.db2.gz VDQOVLRYUIIICC-VIFPVBQESA-N 0 3 177.251 1.461 20 0 ADADHN CNC(=O)CN1C[C@@H](C)CC(C)(C)C1 334746716 346362181 /nfs/dbraw/zinc/36/21/81/346362181.db2.gz JZSGWAJVYHICDT-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN Cc1c(CN2CCCC2)cnn1C 334738584 346362553 /nfs/dbraw/zinc/36/25/53/346362553.db2.gz CEHPTIJPOXEPJW-UHFFFAOYSA-N 0 3 179.267 1.324 20 0 ADADHN CNC(=O)CN1C[C@H](C)CC(C)(C)C1 334746715 346362693 /nfs/dbraw/zinc/36/26/93/346362693.db2.gz JZSGWAJVYHICDT-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN CCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C 334755626 346363007 /nfs/dbraw/zinc/36/30/07/346363007.db2.gz YUYMTRSPGCIOIK-VHSXEESVSA-N 0 3 198.310 1.195 20 0 ADADHN CCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 334755595 346363201 /nfs/dbraw/zinc/36/32/01/346363201.db2.gz YUYMTRSPGCIOIK-NXEZZACHSA-N 0 3 198.310 1.195 20 0 ADADHN CCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 334755633 346363545 /nfs/dbraw/zinc/36/35/45/346363545.db2.gz YUYMTRSPGCIOIK-ZJUUUORDSA-N 0 3 198.310 1.195 20 0 ADADHN Cc1[nH]cnc1CC(=O)NC(C)(C)C 334762050 346363609 /nfs/dbraw/zinc/36/36/09/346363609.db2.gz HCOAVYMJWBNEKV-UHFFFAOYSA-N 0 3 195.266 1.175 20 0 ADADHN CCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C 334755621 346363647 /nfs/dbraw/zinc/36/36/47/346363647.db2.gz YUYMTRSPGCIOIK-UWVGGRQHSA-N 0 3 198.310 1.195 20 0 ADADHN CC1=CCN(CCc2cn[nH]c2)CC1 334786161 346364123 /nfs/dbraw/zinc/36/41/23/346364123.db2.gz HPMXENTZKBEBCQ-UHFFFAOYSA-N 0 3 191.278 1.604 20 0 ADADHN C[C@H]1CCC[C@H](C)N1CC(=O)N(C)C 334781217 346364317 /nfs/dbraw/zinc/36/43/17/346364317.db2.gz NLSXCVCVEGNSAA-UWVGGRQHSA-N 0 3 198.310 1.338 20 0 ADADHN C[C@H](NC1CCC1)c1ccn(C)n1 334791771 346364687 /nfs/dbraw/zinc/36/46/87/346364687.db2.gz HXWQQYOBASXIDQ-QMMMGPOBSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@H](O)CN1CCOC2(CCCC2)C1 334788473 346364740 /nfs/dbraw/zinc/36/47/40/346364740.db2.gz PRJYUSRNRHQYOY-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN CC(C)N[C@H](C)c1ccn(C)n1 334793202 346364757 /nfs/dbraw/zinc/36/47/57/346364757.db2.gz UXBOEKBBKJWWDS-MRVPVSSYSA-N 0 3 167.256 1.479 20 0 ADADHN C[C@H]1CCCN(Cc2cn[nH]n2)CC1 334792699 346364790 /nfs/dbraw/zinc/36/47/90/346364790.db2.gz IWYSXXMQGGCELU-VIFPVBQESA-N 0 3 194.282 1.427 20 0 ADADHN C[C@H]1CCCN(Cc2c[nH]nn2)CC1 334792699 346364792 /nfs/dbraw/zinc/36/47/92/346364792.db2.gz IWYSXXMQGGCELU-VIFPVBQESA-N 0 3 194.282 1.427 20 0 ADADHN C[C@H](O)CN1CCCc2occc2C1 334789614 346364824 /nfs/dbraw/zinc/36/48/24/346364824.db2.gz WJFWNUXLZWPMEI-VIFPVBQESA-N 0 3 195.262 1.409 20 0 ADADHN CC1CC(N[C@H](C)c2ccn(C)n2)C1 334793045 346364904 /nfs/dbraw/zinc/36/49/04/346364904.db2.gz RWGDAPAPFAFAMA-HWOCKDDLSA-N 0 3 193.294 1.869 20 0 ADADHN CC1CC(N[C@@H](C)c2ccn(C)n2)C1 334793046 346365123 /nfs/dbraw/zinc/36/51/23/346365123.db2.gz RWGDAPAPFAFAMA-KYHHOPLUSA-N 0 3 193.294 1.869 20 0 ADADHN CN1CC[C@H](N(C)CC(C)(C)C)C1=O 334802993 346365498 /nfs/dbraw/zinc/36/54/98/346365498.db2.gz BOPYAORFUKZHIH-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN CN1CC[C@@H](N(C)CC(C)(C)C)C1=O 334802990 346365550 /nfs/dbraw/zinc/36/55/50/346365550.db2.gz BOPYAORFUKZHIH-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@@H]1CN(CC)C[C@H](C)O1 335492238 346400573 /nfs/dbraw/zinc/40/05/73/346400573.db2.gz VYEABKSGUGEYLN-DTWKUNHWSA-N 0 3 157.257 1.506 20 0 ADADHN Cc1ccc(CN(C)C2CCC2)nn1 334841060 346367574 /nfs/dbraw/zinc/36/75/74/346367574.db2.gz JUGUETITWDOFIB-UHFFFAOYSA-N 0 3 191.278 1.769 20 0 ADADHN Cc1ccc(CN2CCC[C@@H]2C)nn1 334866884 346367857 /nfs/dbraw/zinc/36/78/57/346367857.db2.gz HBFGENYRAFWDGK-JTQLQIEISA-N 0 3 191.278 1.769 20 0 ADADHN Cc1ccc(CN2CCC[C@H]2C)nn1 334866886 346367922 /nfs/dbraw/zinc/36/79/22/346367922.db2.gz HBFGENYRAFWDGK-SNVBAGLBSA-N 0 3 191.278 1.769 20 0 ADADHN C[C@H](CF)N[C@@H]1COC(C)(C)C1 334956067 346371259 /nfs/dbraw/zinc/37/12/59/346371259.db2.gz QJLBIDGATJTVJR-SFYZADRCSA-N 0 3 175.247 1.502 20 0 ADADHN C[C@H](CF)N[C@H]1COC(C)(C)C1 334956065 346371456 /nfs/dbraw/zinc/37/14/56/346371456.db2.gz QJLBIDGATJTVJR-HTQZYQBOSA-N 0 3 175.247 1.502 20 0 ADADHN CNC(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 334963819 346371698 /nfs/dbraw/zinc/37/16/98/346371698.db2.gz OOEKYTJNWPCTJU-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN(C)[C@H]1CCC[C@@H](C)C1 334963822 346371897 /nfs/dbraw/zinc/37/18/97/346371897.db2.gz OOEKYTJNWPCTJU-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 334963821 346372016 /nfs/dbraw/zinc/37/20/16/346372016.db2.gz OOEKYTJNWPCTJU-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN(C)[C@H]1CCC[C@H](C)C1 334963820 346372095 /nfs/dbraw/zinc/37/20/95/346372095.db2.gz OOEKYTJNWPCTJU-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H]1CCCN(CC(=O)NC)CC1 334987109 346372671 /nfs/dbraw/zinc/37/26/71/346372671.db2.gz HLYKNJBNJHNQGX-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN C[C@H]1CCCCN(CC(=O)N(C)C)C1 334979905 346372791 /nfs/dbraw/zinc/37/27/91/346372791.db2.gz WOCYSKXECWGLKI-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H]1CCCN(CC(=O)NC)CC1 334987110 346372803 /nfs/dbraw/zinc/37/28/03/346372803.db2.gz HLYKNJBNJHNQGX-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN C[C@H](N)C(=O)N1CCCCC(C)(C)C1 335004880 346373283 /nfs/dbraw/zinc/37/32/83/346373283.db2.gz TYBXJBZMBASYQQ-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CNCC(=O)N1CCCCC(C)(C)C1 335004789 346373525 /nfs/dbraw/zinc/37/35/25/346373525.db2.gz RHBLJMUKJLJKQP-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC[C@H](C)C1 335023870 346374382 /nfs/dbraw/zinc/37/43/82/346374382.db2.gz JRFIHTJXHBYPHY-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N1CCCC[C@@H](C)C1 335023871 346374460 /nfs/dbraw/zinc/37/44/60/346374460.db2.gz JRFIHTJXHBYPHY-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CC1=CCCN(CCn2ccnc2)C1 335023129 346374549 /nfs/dbraw/zinc/37/45/49/346374549.db2.gz RHFSHHXMGGHSSV-UHFFFAOYSA-N 0 3 191.278 1.535 20 0 ADADHN CC1=CCCN(CCn2cccn2)C1 335023128 346374759 /nfs/dbraw/zinc/37/47/59/346374759.db2.gz QXYAFLGLCYQXMU-UHFFFAOYSA-N 0 3 191.278 1.535 20 0 ADADHN C[C@H]1CN(CCC2CC2)C[C@@H](C)O1 335026018 346375109 /nfs/dbraw/zinc/37/51/09/346375109.db2.gz NLBSLVPKHYMBIM-AOOOYVTPSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1OCCN(CCC2CC2)[C@@H]1C 335026134 346375122 /nfs/dbraw/zinc/37/51/22/346375122.db2.gz KSDKOERBCOIGTL-NXEZZACHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CCN(C(=O)[C@@H](C)N)CC1(C)C 335026697 346375196 /nfs/dbraw/zinc/37/51/96/346375196.db2.gz CSXDIPGWYCRPRM-DTWKUNHWSA-N 0 3 198.310 1.228 20 0 ADADHN CNCC(=O)N1CC[C@@H](C)C(C)(C)C1 335032089 346375389 /nfs/dbraw/zinc/37/53/89/346375389.db2.gz YBRJBBIPDZTMML-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@H]1[C@@H](C)OCCN1CCC1CC1 335026149 346375469 /nfs/dbraw/zinc/37/54/69/346375469.db2.gz KSDKOERBCOIGTL-VHSXEESVSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CCCCN(C(=O)C2(N)CC2)C1 335030985 346375600 /nfs/dbraw/zinc/37/56/00/346375600.db2.gz VHXUGUJWLIZPRE-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN CNCC(=O)N1CC[C@H](C)C(C)(C)C1 335032090 346375624 /nfs/dbraw/zinc/37/56/24/346375624.db2.gz YBRJBBIPDZTMML-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN C[C@H](N)C(=O)N1CC[C@@H](C)C(C)(C)C1 335026690 346375679 /nfs/dbraw/zinc/37/56/79/346375679.db2.gz CSXDIPGWYCRPRM-BDAKNGLRSA-N 0 3 198.310 1.228 20 0 ADADHN CN(C(=O)[C@@H](N)C1CCC1)C1CCC1 335060813 346376892 /nfs/dbraw/zinc/37/68/92/346376892.db2.gz SRCJXVQBPSWKIR-JTQLQIEISA-N 0 3 196.294 1.125 20 0 ADADHN Cc1nn(C)c(C)c1CN1CCCC1 335072925 346376962 /nfs/dbraw/zinc/37/69/62/346376962.db2.gz FBJQETXJMURPQF-UHFFFAOYSA-N 0 3 193.294 1.633 20 0 ADADHN CN(C(=O)[C@H](N)C1CCC1)C1CCC1 335060814 346377090 /nfs/dbraw/zinc/37/70/90/346377090.db2.gz SRCJXVQBPSWKIR-SNVBAGLBSA-N 0 3 196.294 1.125 20 0 ADADHN CCn1nccc1CN1CCC[C@@H]1C 335082850 346377568 /nfs/dbraw/zinc/37/75/68/346377568.db2.gz QYNHTNWJHRUHFR-JTQLQIEISA-N 0 3 193.294 1.887 20 0 ADADHN C[C@H]1COC[C@@H](C)N1CCC1CC1 335085026 346377703 /nfs/dbraw/zinc/37/77/03/346377703.db2.gz PKJSCAWKIZGEFF-AOOOYVTPSA-N 0 3 183.295 1.896 20 0 ADADHN CCn1nccc1CN1CCC[C@H]1C 335082852 346377864 /nfs/dbraw/zinc/37/78/64/346377864.db2.gz QYNHTNWJHRUHFR-SNVBAGLBSA-N 0 3 193.294 1.887 20 0 ADADHN C[C@H]1COC[C@H](C)N1CCC1CC1 335085034 346377994 /nfs/dbraw/zinc/37/79/94/346377994.db2.gz PKJSCAWKIZGEFF-UWVGGRQHSA-N 0 3 183.295 1.896 20 0 ADADHN CN(CC(=O)N1CCC1)C1CCCC1 335103721 346378847 /nfs/dbraw/zinc/37/88/47/346378847.db2.gz AVEUIAVDRMWKNV-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN Cc1ccoc1CN1CC[C@](C)(O)C1 335118016 346379743 /nfs/dbraw/zinc/37/97/43/346379743.db2.gz MPHAYZPAYWNOOP-NSHDSACASA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccc(CN2CC[C@@H](C)C2)nn1 335132504 346380443 /nfs/dbraw/zinc/38/04/43/346380443.db2.gz ORGWBKZICRUEKY-SECBINFHSA-N 0 3 191.278 1.627 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2cnccn2)C1 335145335 346380819 /nfs/dbraw/zinc/38/08/19/346380819.db2.gz AIBOFZWBWTUGJB-VHSXEESVSA-N 0 3 191.278 1.707 20 0 ADADHN Cc1cnn(C)c1CN1CCC[C@H]1C 335139588 346380833 /nfs/dbraw/zinc/38/08/33/346380833.db2.gz XJOWIAYKTOKCND-SNVBAGLBSA-N 0 3 193.294 1.713 20 0 ADADHN Cc1cnn(C)c1CN1CCC[C@@H]1C 335139585 346380987 /nfs/dbraw/zinc/38/09/87/346380987.db2.gz XJOWIAYKTOKCND-JTQLQIEISA-N 0 3 193.294 1.713 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1cnccn1 335145337 346381439 /nfs/dbraw/zinc/38/14/39/346381439.db2.gz AIBOFZWBWTUGJB-ZJUUUORDSA-N 0 3 191.278 1.707 20 0 ADADHN C[C@H]1CN(Cc2ccnn2C)C[C@@H]1C 335181095 346381788 /nfs/dbraw/zinc/38/17/88/346381788.db2.gz YOFYWRNQFFREBG-UWVGGRQHSA-N 0 3 193.294 1.508 20 0 ADADHN CC(C)NC(=O)CN1[C@H](C)CC[C@H]1C 335164787 346381888 /nfs/dbraw/zinc/38/18/88/346381888.db2.gz XBVSKMRDNMANRY-NXEZZACHSA-N 0 3 198.310 1.384 20 0 ADADHN CC(C)NC(=O)CN1[C@@H](C)CC[C@@H]1C 335164789 346381946 /nfs/dbraw/zinc/38/19/46/346381946.db2.gz XBVSKMRDNMANRY-UWVGGRQHSA-N 0 3 198.310 1.384 20 0 ADADHN Cc1ccc(CN[C@H]2CC2(C)C)nn1 335247221 346384068 /nfs/dbraw/zinc/38/40/68/346384068.db2.gz ASTCKIDJCFMHMB-JTQLQIEISA-N 0 3 191.278 1.673 20 0 ADADHN Cc1ccc(CN(C)C(C)C)nn1 335262071 346384876 /nfs/dbraw/zinc/38/48/76/346384876.db2.gz MERHQBRKJAXDBA-UHFFFAOYSA-N 0 3 179.267 1.625 20 0 ADADHN Cc1c(CN2CC[C@@H](C)C2)cnn1C 335294641 346386523 /nfs/dbraw/zinc/38/65/23/346386523.db2.gz CVQYOSVYYMVZSF-SECBINFHSA-N 0 3 193.294 1.570 20 0 ADADHN CC[C@H]1CCN(Cc2cnn(C)c2)C1 335294702 346386591 /nfs/dbraw/zinc/38/65/91/346386591.db2.gz GRDIXYGCSMGJKQ-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN Cc1c(CN2CC[C@H](C)C2)cnn1C 335294645 346386654 /nfs/dbraw/zinc/38/66/54/346386654.db2.gz CVQYOSVYYMVZSF-VIFPVBQESA-N 0 3 193.294 1.570 20 0 ADADHN C[C@H]1CCN(Cc2nccn2C)[C@H]1C 335295097 346387157 /nfs/dbraw/zinc/38/71/57/346387157.db2.gz NOTAQZZLSIXFIK-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2cncn2C)C1 335295060 346387245 /nfs/dbraw/zinc/38/72/45/346387245.db2.gz KCEHXHAXGPXUMU-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1nccn1C 335295099 346387277 /nfs/dbraw/zinc/38/72/77/346387277.db2.gz NOTAQZZLSIXFIK-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN CC[C@H]1CCN(Cc2cncn2C)C1 335295116 346387411 /nfs/dbraw/zinc/38/74/11/346387411.db2.gz PEYVOGLZHODLGB-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1cncn1C 335295061 346387499 /nfs/dbraw/zinc/38/74/99/346387499.db2.gz KCEHXHAXGPXUMU-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CCN(Cc2cnn(C)c2)[C@@H]1C 335295800 346387529 /nfs/dbraw/zinc/38/75/29/346387529.db2.gz SNYURFKFTWKLDP-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2cncn2C)C1 335295059 346387549 /nfs/dbraw/zinc/38/75/49/346387549.db2.gz KCEHXHAXGPXUMU-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1cnn(C)c1 335295801 346387565 /nfs/dbraw/zinc/38/75/65/346387565.db2.gz SNYURFKFTWKLDP-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CCN(Cc2cnn(C)c2)[C@H]1C 335295799 346387616 /nfs/dbraw/zinc/38/76/16/346387616.db2.gz SNYURFKFTWKLDP-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CCN(Cc2nccn2C)[C@@H]1C 335295098 346387626 /nfs/dbraw/zinc/38/76/26/346387626.db2.gz NOTAQZZLSIXFIK-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN Cc1cnc(CN2CCC[C@@H]2C)cn1 335306558 346388147 /nfs/dbraw/zinc/38/81/47/346388147.db2.gz FWRLLNYKIFYICL-JTQLQIEISA-N 0 3 191.278 1.769 20 0 ADADHN Cc1cnc(CN2CCC[C@H]2C)cn1 335306559 346388231 /nfs/dbraw/zinc/38/82/31/346388231.db2.gz FWRLLNYKIFYICL-SNVBAGLBSA-N 0 3 191.278 1.769 20 0 ADADHN C[C@H]1CN(C[C@@H]2CCCO2)CCCO1 335307425 346388481 /nfs/dbraw/zinc/38/84/81/346388481.db2.gz RMTHSBCHGNACCV-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN CC[C@H]1CCN(Cc2cnnn2C)C1 335308773 346388945 /nfs/dbraw/zinc/38/89/45/346388945.db2.gz DQXUWLZSQMTTOV-VIFPVBQESA-N 0 3 194.282 1.047 20 0 ADADHN C[C@H]1CN(C[C@H]2CCCO2)CCCO1 335307426 346389187 /nfs/dbraw/zinc/38/91/87/346389187.db2.gz RMTHSBCHGNACCV-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CCC(=O)N[C@@H](C)C1=CCN(C)CC1 335316150 346389192 /nfs/dbraw/zinc/38/91/92/346389192.db2.gz PBUGXOZZEGBXHM-VIFPVBQESA-N 0 3 196.294 1.163 20 0 ADADHN CCCN1CCOC2(CCOCC2)C1 335307439 346389276 /nfs/dbraw/zinc/38/92/76/346389276.db2.gz STNZJYPIKFRNLE-UHFFFAOYSA-N 0 3 199.294 1.278 20 0 ADADHN CCC(=O)N[C@H](C)C1=CCN(C)CC1 335316145 346389393 /nfs/dbraw/zinc/38/93/93/346389393.db2.gz PBUGXOZZEGBXHM-SECBINFHSA-N 0 3 196.294 1.163 20 0 ADADHN CC[C@H](C)N1CCN2C(=O)CC[C@@H]2C1 335330171 346389831 /nfs/dbraw/zinc/38/98/31/346389831.db2.gz WBLQBDCNRDKQDX-VHSXEESVSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@H]1CCN([C@H](C)c2cnccn2)C1 335327031 346389885 /nfs/dbraw/zinc/38/98/85/346389885.db2.gz OLQWGYXRIZENOF-VHSXEESVSA-N 0 3 191.278 1.879 20 0 ADADHN CC[C@H](C)N1CCN2C(=O)CC[C@H]2C1 335330169 346389976 /nfs/dbraw/zinc/38/99/76/346389976.db2.gz WBLQBDCNRDKQDX-UWVGGRQHSA-N 0 3 196.294 1.092 20 0 ADADHN CC[C@@]1(C)CCN(CC(=O)N(C)C)C1 335325360 346390026 /nfs/dbraw/zinc/39/00/26/346390026.db2.gz MLUGYSRIPPREHS-NSHDSACASA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@H]1CCCN1Cc1cnnn1C 335325313 346390174 /nfs/dbraw/zinc/39/01/74/346390174.db2.gz QRGVPIHYEPPJSK-VIFPVBQESA-N 0 3 194.282 1.190 20 0 ADADHN CC[C@H](C)CN1CCN(C(C)=O)CC1 335336969 346390498 /nfs/dbraw/zinc/39/04/98/346390498.db2.gz WJRVPWJQFKLDIQ-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@]1(C)CCN(CC(=O)N(C)C)C1 335325359 346390357 /nfs/dbraw/zinc/39/03/57/346390357.db2.gz MLUGYSRIPPREHS-LLVKDONJSA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H]1CCCN1Cc1cnnn1C 335325312 346390371 /nfs/dbraw/zinc/39/03/71/346390371.db2.gz QRGVPIHYEPPJSK-SECBINFHSA-N 0 3 194.282 1.190 20 0 ADADHN CC1(F)CC(NCc2cc[nH]c2)C1 335376835 346393097 /nfs/dbraw/zinc/39/30/97/346393097.db2.gz YCSGWVHUIFQPRH-UHFFFAOYSA-N 0 3 182.242 1.995 20 0 ADADHN CC[C@H](C(=O)N1CCC[C@H]1C)N(C)C 335370304 346391742 /nfs/dbraw/zinc/39/17/42/346391742.db2.gz SYMQGNRPRWJSNG-NXEZZACHSA-N 0 3 198.310 1.338 20 0 ADADHN CNC(=O)CN1CCCC[C@H]1C(C)C 335366774 346391765 /nfs/dbraw/zinc/39/17/65/346391765.db2.gz MMEZRNYIIYXFCG-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)[C@@H]1CCN1Cc1ccnn1C 335354721 346391776 /nfs/dbraw/zinc/39/17/76/346391776.db2.gz BCMCVCKRQOIQIG-NSHDSACASA-N 0 3 193.294 1.650 20 0 ADADHN CC(C)[C@H]1CCN1Cc1ccnn1C 335354720 346391976 /nfs/dbraw/zinc/39/19/76/346391976.db2.gz BCMCVCKRQOIQIG-LLVKDONJSA-N 0 3 193.294 1.650 20 0 ADADHN CC[C@H](C(=O)N1CCC[C@@H]1C)N(C)C 335370306 346392073 /nfs/dbraw/zinc/39/20/73/346392073.db2.gz SYMQGNRPRWJSNG-VHSXEESVSA-N 0 3 198.310 1.338 20 0 ADADHN CC[C@H](C)N1CCN(C2CCC2)CC1 335357672 346392145 /nfs/dbraw/zinc/39/21/45/346392145.db2.gz NFYMNCGUSKTOBH-NSHDSACASA-N 0 3 196.338 1.955 20 0 ADADHN CNC(=O)CN1CCCC[C@@H]1C(C)C 335366775 346392292 /nfs/dbraw/zinc/39/22/92/346392292.db2.gz MMEZRNYIIYXFCG-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1n[nH]cc1CNC1CC(C)(F)C1 335374997 346392875 /nfs/dbraw/zinc/39/28/75/346392875.db2.gz FOOATRNVEXMXCC-UHFFFAOYSA-N 0 3 197.257 1.698 20 0 ADADHN Cc1c[nH]nc1CNC1CC(C)(F)C1 335374204 346392942 /nfs/dbraw/zinc/39/29/42/346392942.db2.gz PRNKABQWEGABES-UHFFFAOYSA-N 0 3 197.257 1.698 20 0 ADADHN C[C@H]1COCCN1C[C@@H]1CCCOC1 335391264 346393525 /nfs/dbraw/zinc/39/35/25/346393525.db2.gz JGXFVJIMSYFAKC-QWRGUYRKSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1COCCN1CC1CC1 335391750 346393643 /nfs/dbraw/zinc/39/36/43/346393643.db2.gz XGZOCMUHHRIOFB-QMMMGPOBSA-N 0 3 155.241 1.117 20 0 ADADHN C[C@H]1COCCN1C[C@H]1CCCOC1 335391265 346393746 /nfs/dbraw/zinc/39/37/46/346393746.db2.gz JGXFVJIMSYFAKC-WDEREUQCSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1COCCN1CC1CCOCC1 335391754 346393755 /nfs/dbraw/zinc/39/37/55/346393755.db2.gz XUTRPSXPOUISDJ-JTQLQIEISA-N 0 3 199.294 1.134 20 0 ADADHN C[C@H]1C[C@@H](NCc2ccccc2)CO1 335426082 346395912 /nfs/dbraw/zinc/39/59/12/346395912.db2.gz QFVFMECGAOTJSF-CMPLNLGQSA-N 0 3 191.274 1.954 20 0 ADADHN C[C@H]1C[C@@H](NCc2cccnc2)CO1 335423501 346395986 /nfs/dbraw/zinc/39/59/86/346395986.db2.gz ALAGTDQAEQKIFD-GXSJLCMTSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@H]1C[C@H](NCc2ccccn2)CO1 335426565 346396009 /nfs/dbraw/zinc/39/60/09/346396009.db2.gz YLJBWRWGTJBOSH-ONGXEEELSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@H]1C[C@@H](NCc2cncs2)CO1 335426602 346396025 /nfs/dbraw/zinc/39/60/25/346396025.db2.gz ZEGJGXDEVSQLKM-JGVFFNPUSA-N 0 3 198.291 1.410 20 0 ADADHN C[C@H]1C[C@H](NCc2ccncc2)CO1 335426014 346396082 /nfs/dbraw/zinc/39/60/82/346396082.db2.gz PBKFETJHJBVVJR-ONGXEEELSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@H]1C[C@H](NCc2cncs2)CO1 335426604 346396136 /nfs/dbraw/zinc/39/61/36/346396136.db2.gz ZEGJGXDEVSQLKM-YUMQZZPRSA-N 0 3 198.291 1.410 20 0 ADADHN C[C@H]1C[C@H](NCc2cccnc2)CO1 335423504 346396146 /nfs/dbraw/zinc/39/61/46/346396146.db2.gz ALAGTDQAEQKIFD-ONGXEEELSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@H]1C[C@@H](NCc2ccccn2)CO1 335426562 346396155 /nfs/dbraw/zinc/39/61/55/346396155.db2.gz YLJBWRWGTJBOSH-GXSJLCMTSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@H]1C[C@H](NCc2ccccc2)CO1 335426085 346396223 /nfs/dbraw/zinc/39/62/23/346396223.db2.gz QFVFMECGAOTJSF-JQWIXIFHSA-N 0 3 191.274 1.954 20 0 ADADHN C[C@H]1C[C@@H](NCc2ccncc2)CO1 335426011 346396237 /nfs/dbraw/zinc/39/62/37/346396237.db2.gz PBKFETJHJBVVJR-GXSJLCMTSA-N 0 3 192.262 1.349 20 0 ADADHN Cc1cnn(C)c1CN(C)C(C)(C)C 335448843 346397388 /nfs/dbraw/zinc/39/73/88/346397388.db2.gz FSDUIXVMEBRDST-UHFFFAOYSA-N 0 3 195.310 1.959 20 0 ADADHN Cc1cc(CN(C)C(C)(C)C)n(C)n1 335449231 346397900 /nfs/dbraw/zinc/39/79/00/346397900.db2.gz IUHLIEJCKQOTTC-UHFFFAOYSA-N 0 3 195.310 1.959 20 0 ADADHN Cc1n[nH]cc1CN(C)C(C)(C)C 335449832 346398130 /nfs/dbraw/zinc/39/81/30/346398130.db2.gz QSQKCCNLYHJMLN-UHFFFAOYSA-N 0 3 181.283 1.948 20 0 ADADHN CN(Cc1cnccn1)C(C)(C)C 335449796 346398188 /nfs/dbraw/zinc/39/81/88/346398188.db2.gz PYHJGVLGHAOBLP-UHFFFAOYSA-N 0 3 179.267 1.707 20 0 ADADHN CN(Cc1ccno1)C(C)(C)C 335454374 346398385 /nfs/dbraw/zinc/39/83/85/346398385.db2.gz HMYPNLUFNZURPN-UHFFFAOYSA-N 0 3 168.240 1.905 20 0 ADADHN Cc1nn(C)cc1CN(C)C(C)(C)C 335454400 346398405 /nfs/dbraw/zinc/39/84/05/346398405.db2.gz JCPYOCVOOTVOPK-UHFFFAOYSA-N 0 3 195.310 1.959 20 0 ADADHN CN(Cc1ccnn1C)C(C)(C)C 335457137 346399059 /nfs/dbraw/zinc/39/90/59/346399059.db2.gz XZFXYBLDDPTNDE-UHFFFAOYSA-N 0 3 181.283 1.650 20 0 ADADHN Cc1nc(CN(C)C(C)(C)C)n[nH]1 335457060 346399150 /nfs/dbraw/zinc/39/91/50/346399150.db2.gz VYRVFAFCTNSDNL-UHFFFAOYSA-N 0 3 182.271 1.343 20 0 ADADHN CN(CC(=O)N1CCCC1)C(C)(C)C 335457614 346399248 /nfs/dbraw/zinc/39/92/48/346399248.db2.gz YMDVLOOZSPEQCM-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN C[C@H]1CN(CCCO)CC2(CCC2)O1 335461094 346399260 /nfs/dbraw/zinc/39/92/60/346399260.db2.gz DSXTXKWDFCDNQE-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN CC[C@H]1CN(CC)C[C@@H](C)O1 335492237 346400542 /nfs/dbraw/zinc/40/05/42/346400542.db2.gz VYEABKSGUGEYLN-BDAKNGLRSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@@H]1CN(CC)C[C@@H](C)O1 335492240 346400560 /nfs/dbraw/zinc/40/05/60/346400560.db2.gz VYEABKSGUGEYLN-RKDXNWHRSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@H]1CN(CC)C[C@H](C)O1 335492239 346400754 /nfs/dbraw/zinc/40/07/54/346400754.db2.gz VYEABKSGUGEYLN-IUCAKERBSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@@]1(O)CCN(Cc2ccco2)C1 335509326 346401425 /nfs/dbraw/zinc/40/14/25/346401425.db2.gz TUGWEJMFZLVQFC-LLVKDONJSA-N 0 3 195.262 1.626 20 0 ADADHN CC[C@]1(O)CCN(Cc2ccco2)C1 335509327 346401521 /nfs/dbraw/zinc/40/15/21/346401521.db2.gz TUGWEJMFZLVQFC-NSHDSACASA-N 0 3 195.262 1.626 20 0 ADADHN CC[C@@H]1CCCN1Cc1cnn(C)c1 335521019 346402186 /nfs/dbraw/zinc/40/21/86/346402186.db2.gz UFKWHYWGSCQQFT-LLVKDONJSA-N 0 3 193.294 1.795 20 0 ADADHN CN(C[C@@H]1CCCCO1)[C@H]1CCOC1 335520801 346402319 /nfs/dbraw/zinc/40/23/19/346402319.db2.gz MJIDBSYIFAGHIL-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN CN(C[C@H]1CCCCO1)[C@H]1CCOC1 335520803 346402335 /nfs/dbraw/zinc/40/23/35/346402335.db2.gz MJIDBSYIFAGHIL-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CC[C@H]1CN(C[C@@H]2CCOC2)CCO1 335520713 346402356 /nfs/dbraw/zinc/40/23/56/346402356.db2.gz FDZYVSPPVSTTBC-QWRGUYRKSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@@H]1CN(C[C@H]2CCOC2)CCO1 335520709 346402429 /nfs/dbraw/zinc/40/24/29/346402429.db2.gz FDZYVSPPVSTTBC-GHMZBOCLSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@@H]1CCCN1Cc1nccn1C 335520790 346402461 /nfs/dbraw/zinc/40/24/61/346402461.db2.gz LWSDULOSAZSNOD-SNVBAGLBSA-N 0 3 193.294 1.795 20 0 ADADHN CN(C[C@H]1CCCCO1)[C@@H]1CCOC1 335520797 346402513 /nfs/dbraw/zinc/40/25/13/346402513.db2.gz MJIDBSYIFAGHIL-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN C[C@H]1CN(CC2CC2)CC(C)(C)O1 335521069 346402524 /nfs/dbraw/zinc/40/25/24/346402524.db2.gz APRHHEZQWLOJFT-VIFPVBQESA-N 0 3 183.295 1.896 20 0 ADADHN CN(C[C@@H]1CCCCO1)[C@@H]1CCOC1 335520799 346402557 /nfs/dbraw/zinc/40/25/57/346402557.db2.gz MJIDBSYIFAGHIL-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN CC[C@H]1CN(C[C@H]2CCOC2)CCO1 335520711 346402589 /nfs/dbraw/zinc/40/25/89/346402589.db2.gz FDZYVSPPVSTTBC-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN Cc1nc(CN2C[C@@H](C)[C@H](C)C2)n[nH]1 335529309 346402965 /nfs/dbraw/zinc/40/29/65/346402965.db2.gz AHGHMUHJDFLOBC-HTQZYQBOSA-N 0 3 194.282 1.201 20 0 ADADHN CN1CCC[C@@H]1C(=O)N(C)C(C)(C)C 335522247 346403021 /nfs/dbraw/zinc/40/30/21/346403021.db2.gz SQOLFCGXIJWWHM-SECBINFHSA-N 0 3 198.310 1.338 20 0 ADADHN Cc1nc(CN(C)C2CCCC2)n[nH]1 335524965 346403048 /nfs/dbraw/zinc/40/30/48/346403048.db2.gz CDLCHENJPFNWRK-UHFFFAOYSA-N 0 3 194.282 1.488 20 0 ADADHN CN1CCC[C@H]1C(=O)N(C)C(C)(C)C 335522248 346403134 /nfs/dbraw/zinc/40/31/34/346403134.db2.gz SQOLFCGXIJWWHM-VIFPVBQESA-N 0 3 198.310 1.338 20 0 ADADHN Cc1nc(CN2C[C@H](C)[C@@H](C)C2)n[nH]1 335529311 346403289 /nfs/dbraw/zinc/40/32/89/346403289.db2.gz AHGHMUHJDFLOBC-YUMQZZPRSA-N 0 3 194.282 1.201 20 0 ADADHN Cc1nc(CN2C[C@@H](C)[C@@H](C)C2)n[nH]1 335529310 346403360 /nfs/dbraw/zinc/40/33/60/346403360.db2.gz AHGHMUHJDFLOBC-OCAPTIKFSA-N 0 3 194.282 1.201 20 0 ADADHN CC1(C)CN(CCC2CC2)CCO1 335530908 346403437 /nfs/dbraw/zinc/40/34/37/346403437.db2.gz OTDOSMFOQYRPNQ-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1CN(CCC2CC2)[C@@H](C)CO1 335532078 346403804 /nfs/dbraw/zinc/40/38/04/346403804.db2.gz XVRVBDFREMPWSN-UWVGGRQHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CO[C@H](C)CN1CCC1CC1 335532079 346403824 /nfs/dbraw/zinc/40/38/24/346403824.db2.gz XVRVBDFREMPWSN-VHSXEESVSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1CN(CCC2CC2)[C@H](C)CO1 335532080 346404028 /nfs/dbraw/zinc/40/40/28/346404028.db2.gz XVRVBDFREMPWSN-ZJUUUORDSA-N 0 3 183.295 1.896 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CC1(C)C 335561996 346404957 /nfs/dbraw/zinc/40/49/57/346404957.db2.gz HPLXQFAKMJNPFQ-BDAKNGLRSA-N 0 3 198.310 1.227 20 0 ADADHN CN(C(=O)C1(N)CCC1)[C@H]1CC1(C)C 335564383 346405009 /nfs/dbraw/zinc/40/50/09/346405009.db2.gz RNBPGGYTHWJKDU-QMMMGPOBSA-N 0 3 196.294 1.125 20 0 ADADHN CN(C(=O)C1(N)CCC1)[C@@H]1CC1(C)C 335564382 346405021 /nfs/dbraw/zinc/40/50/21/346405021.db2.gz RNBPGGYTHWJKDU-MRVPVSSYSA-N 0 3 196.294 1.125 20 0 ADADHN CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC1(C)C 335561999 346405085 /nfs/dbraw/zinc/40/50/85/346405085.db2.gz HPLXQFAKMJNPFQ-RKDXNWHRSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC1(C)C 335561997 346405333 /nfs/dbraw/zinc/40/53/33/346405333.db2.gz HPLXQFAKMJNPFQ-DTWKUNHWSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CC1(C)C 335561998 346405394 /nfs/dbraw/zinc/40/53/94/346405394.db2.gz HPLXQFAKMJNPFQ-IUCAKERBSA-N 0 3 198.310 1.227 20 0 ADADHN CC[C@@]1(C)CCN(Cc2cn[nH]n2)C1 335585911 346407158 /nfs/dbraw/zinc/40/71/58/346407158.db2.gz GNSVEZAGPRKTRU-JTQLQIEISA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@@]1(C)CCN(Cc2c[nH]nn2)C1 335585911 346407160 /nfs/dbraw/zinc/40/71/60/346407160.db2.gz GNSVEZAGPRKTRU-JTQLQIEISA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@]1(C)CCN(Cc2cn[nH]n2)C1 335585912 346407220 /nfs/dbraw/zinc/40/72/20/346407220.db2.gz GNSVEZAGPRKTRU-SNVBAGLBSA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@]1(C)CCN(Cc2c[nH]nn2)C1 335585912 346407221 /nfs/dbraw/zinc/40/72/21/346407221.db2.gz GNSVEZAGPRKTRU-SNVBAGLBSA-N 0 3 194.282 1.427 20 0 ADADHN CC[C@H](C)[C@H]1CCCCN1C(=O)CN 335604865 346408464 /nfs/dbraw/zinc/40/84/64/346408464.db2.gz ZARGMWWSJCLMTR-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C)[C@@H]1CCCCN1C(=O)CN 335604864 346408499 /nfs/dbraw/zinc/40/84/99/346408499.db2.gz ZARGMWWSJCLMTR-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@](C)(CC)C1 335607815 346409143 /nfs/dbraw/zinc/40/91/43/346409143.db2.gz FXEALVYRQOYKTF-ONGXEEELSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N1CC[C@@](C)(CC)C1 335607807 346409179 /nfs/dbraw/zinc/40/91/79/346409179.db2.gz FXEALVYRQOYKTF-GXSJLCMTSA-N 0 3 198.310 1.372 20 0 ADADHN Cc1ccoc1CN[C@H]1CO[C@H](C)C1 335658471 346411187 /nfs/dbraw/zinc/41/11/87/346411187.db2.gz YFMSUVKLHSYPIV-NXEZZACHSA-N 0 3 195.262 1.855 20 0 ADADHN C[C@H](NC1CC1)C(=O)N1CCC[C@@H]1C 335655939 346411282 /nfs/dbraw/zinc/41/12/82/346411282.db2.gz DJLRLLYKFVEGJL-IUCAKERBSA-N 0 3 196.294 1.138 20 0 ADADHN C[C@H]1CCCN1C(=O)[C@@H](C)NC1CC1 335655938 346411324 /nfs/dbraw/zinc/41/13/24/346411324.db2.gz DJLRLLYKFVEGJL-DTWKUNHWSA-N 0 3 196.294 1.138 20 0 ADADHN Cc1ccoc1CN[C@H]1CO[C@@H](C)C1 335658473 346411923 /nfs/dbraw/zinc/41/19/23/346411923.db2.gz YFMSUVKLHSYPIV-VHSXEESVSA-N 0 3 195.262 1.855 20 0 ADADHN Cc1ccoc1CN[C@@H]1CO[C@@H](C)C1 335658472 346412032 /nfs/dbraw/zinc/41/20/32/346412032.db2.gz YFMSUVKLHSYPIV-UWVGGRQHSA-N 0 3 195.262 1.855 20 0 ADADHN C[C@H]1C[C@@H](NCc2cc[nH]c2)CO1 335664277 346412110 /nfs/dbraw/zinc/41/21/10/346412110.db2.gz PFQGTGJUBDLTSQ-WCBMZHEXSA-N 0 3 180.251 1.282 20 0 ADADHN C[C@H]1C[C@H](NCc2cccn2C)CO1 335664346 346412119 /nfs/dbraw/zinc/41/21/19/346412119.db2.gz RCZMOJUGPBRLAC-UWVGGRQHSA-N 0 3 194.278 1.292 20 0 ADADHN Cc1ccoc1CN[C@@H]1CO[C@H](C)C1 335658474 346412131 /nfs/dbraw/zinc/41/21/31/346412131.db2.gz YFMSUVKLHSYPIV-ZJUUUORDSA-N 0 3 195.262 1.855 20 0 ADADHN C[C@H]1C[C@H](NCc2cc[nH]c2)CO1 335664278 346412203 /nfs/dbraw/zinc/41/22/03/346412203.db2.gz PFQGTGJUBDLTSQ-WPRPVWTQSA-N 0 3 180.251 1.282 20 0 ADADHN C[C@H]1C[C@@H](NCc2cccn2C)CO1 335664347 346412428 /nfs/dbraw/zinc/41/24/28/346412428.db2.gz RCZMOJUGPBRLAC-VHSXEESVSA-N 0 3 194.278 1.292 20 0 ADADHN CC1=C(C)CN(Cc2cnc[nH]2)CC1 335691840 346414521 /nfs/dbraw/zinc/41/45/21/346414521.db2.gz QGLFULCBCQHZIV-UHFFFAOYSA-N 0 3 191.278 1.952 20 0 ADADHN C[C@H](F)CCN1CCc2n[nH]cc2C1 335707096 346415518 /nfs/dbraw/zinc/41/55/18/346415518.db2.gz OORMSNGMQUBEAZ-QMMMGPOBSA-N 0 3 197.257 1.516 20 0 ADADHN CC(C)NC(=O)CN1CC[C@@H](C)[C@@H]1C 335724212 346416088 /nfs/dbraw/zinc/41/60/88/346416088.db2.gz WANSWUCSJOZUTK-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)NC(=O)CN1CC[C@@H](C)[C@H]1C 335724209 346416126 /nfs/dbraw/zinc/41/61/26/346416126.db2.gz WANSWUCSJOZUTK-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)NC(=O)CN1CC[C@H](C)[C@H]1C 335724211 346416215 /nfs/dbraw/zinc/41/62/15/346416215.db2.gz WANSWUCSJOZUTK-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN Cc1nc(CN2CC[C@@H](C)[C@H]2C)n[nH]1 335724168 346416259 /nfs/dbraw/zinc/41/62/59/346416259.db2.gz RCPUBLJUPYHQFO-HTQZYQBOSA-N 0 3 194.282 1.343 20 0 ADADHN C[C@H]1CCN(Cc2ccnn2C)[C@H]1C 335723448 346416299 /nfs/dbraw/zinc/41/62/99/346416299.db2.gz YWYMMWOQQZTMRC-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1ccnn1C 335723450 346416311 /nfs/dbraw/zinc/41/63/11/346416311.db2.gz YWYMMWOQQZTMRC-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN Cc1nc(CN2CC[C@H](C)[C@H]2C)n[nH]1 335724169 346416406 /nfs/dbraw/zinc/41/64/06/346416406.db2.gz RCPUBLJUPYHQFO-JGVFFNPUSA-N 0 3 194.282 1.343 20 0 ADADHN C[C@H]1CCCN1[C@H](C)C(=O)NC1CC1 335720089 346416422 /nfs/dbraw/zinc/41/64/22/346416422.db2.gz UKSHDPMRRGSXLM-DTWKUNHWSA-N 0 3 196.294 1.138 20 0 ADADHN C[C@H]1CCCN1[C@@H](C)C(=O)NC1CC1 335720090 346416432 /nfs/dbraw/zinc/41/64/32/346416432.db2.gz UKSHDPMRRGSXLM-IUCAKERBSA-N 0 3 196.294 1.138 20 0 ADADHN C[C@H]1CCN(Cc2ccnn2C)[C@@H]1C 335723449 346416536 /nfs/dbraw/zinc/41/65/36/346416536.db2.gz YWYMMWOQQZTMRC-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CCCN1CC(=O)N1CCCC1 335739319 346417147 /nfs/dbraw/zinc/41/71/47/346417147.db2.gz PTXDFFXGLHXHDS-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN CCCN1CC(=O)N[C@H]2CCCC[C@H]21 335748021 346417856 /nfs/dbraw/zinc/41/78/56/346417856.db2.gz AUQWYYCBIPCNQC-VHSXEESVSA-N 0 3 196.294 1.139 20 0 ADADHN CCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 335748022 346417953 /nfs/dbraw/zinc/41/79/53/346417953.db2.gz AUQWYYCBIPCNQC-ZJUUUORDSA-N 0 3 196.294 1.139 20 0 ADADHN CCCN1CC(=O)N[C@@H]2CCCC[C@H]21 335748019 346417960 /nfs/dbraw/zinc/41/79/60/346417960.db2.gz AUQWYYCBIPCNQC-NXEZZACHSA-N 0 3 196.294 1.139 20 0 ADADHN CCCN1CC(=O)N[C@H]2CCCC[C@@H]21 335748020 346417999 /nfs/dbraw/zinc/41/79/99/346417999.db2.gz AUQWYYCBIPCNQC-UWVGGRQHSA-N 0 3 196.294 1.139 20 0 ADADHN C[C@H]1CN(CC[C@H]2CCOC2)CCO1 335765279 346418608 /nfs/dbraw/zinc/41/86/08/346418608.db2.gz OHDMMQMCDQPQMW-QWRGUYRKSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@H](C(=O)N1CCCCC1)N(C)C 335767172 346418678 /nfs/dbraw/zinc/41/86/78/346418678.db2.gz YMDLRXGEUSHYIS-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN C[C@H]1CN(CC[C@@H]2CCOC2)CCO1 335765280 346418804 /nfs/dbraw/zinc/41/88/04/346418804.db2.gz OHDMMQMCDQPQMW-WDEREUQCSA-N 0 3 199.294 1.134 20 0 ADADHN CCCN1CCO[C@]2(CCO[C@H]2C)C1 335785890 346419125 /nfs/dbraw/zinc/41/91/25/346419125.db2.gz WUMWPDSJEWLAIQ-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CCCN1CCO[C@]2(CCO[C@@H]2C)C1 335785887 346419183 /nfs/dbraw/zinc/41/91/83/346419183.db2.gz WUMWPDSJEWLAIQ-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN CCCN1CCO[C@@]2(CCO[C@H]2C)C1 335785889 346419268 /nfs/dbraw/zinc/41/92/68/346419268.db2.gz WUMWPDSJEWLAIQ-QWRGUYRKSA-N 0 3 199.294 1.276 20 0 ADADHN CCCN1CCO[C@@]2(CCO[C@@H]2C)C1 335785888 346419327 /nfs/dbraw/zinc/41/93/27/346419327.db2.gz WUMWPDSJEWLAIQ-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN CC(C)N(C)C(=O)[C@@H](C)N1CCCC1 335786127 346420197 /nfs/dbraw/zinc/42/01/97/346420197.db2.gz YWTMWLJXGGGLIE-SNVBAGLBSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)N(C)C(=O)[C@H](C)N1CCCC1 335786126 346420289 /nfs/dbraw/zinc/42/02/89/346420289.db2.gz YWTMWLJXGGGLIE-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN C[C@H]1CN(CC2CC2)C[C@H](C2CC2)O1 335807401 346420625 /nfs/dbraw/zinc/42/06/25/346420625.db2.gz DHSUFENFEHWUEJ-JOYOIKCWSA-N 0 3 195.306 1.896 20 0 ADADHN C[C@H]1CN(CC2CC2)C[C@@H](C2CC2)O1 335807400 346420885 /nfs/dbraw/zinc/42/08/85/346420885.db2.gz DHSUFENFEHWUEJ-CABZTGNLSA-N 0 3 195.306 1.896 20 0 ADADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1CC1 335800184 346420914 /nfs/dbraw/zinc/42/09/14/346420914.db2.gz JVACQUUZZJTRQX-IUCAKERBSA-N 0 3 196.294 1.138 20 0 ADADHN Cc1c(CN(C)C(C)(C)C)cnn1C 335802035 346421136 /nfs/dbraw/zinc/42/11/36/346421136.db2.gz RPJQUFGJHWDRJW-UHFFFAOYSA-N 0 3 195.310 1.959 20 0 ADADHN CC(C)N1CC[C@@H](N2CCCC2)C1=O 335835082 346422499 /nfs/dbraw/zinc/42/24/99/346422499.db2.gz WJBMRYIEUHBXOM-SNVBAGLBSA-N 0 3 196.294 1.092 20 0 ADADHN CC[C@H]1CCN(Cc2n[nH]c(C)n2)C1 335820650 346421835 /nfs/dbraw/zinc/42/18/35/346421835.db2.gz BULSJXZYMGATLA-VIFPVBQESA-N 0 3 194.282 1.345 20 0 ADADHN C[C@H](C(=O)N(C)C)N1CCC(C)(C)C1 335815712 346421859 /nfs/dbraw/zinc/42/18/59/346421859.db2.gz QBDISASDHLZTOA-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)N1CC[C@H](N2CCCC2)C1=O 335835081 346422369 /nfs/dbraw/zinc/42/23/69/346422369.db2.gz WJBMRYIEUHBXOM-JTQLQIEISA-N 0 3 196.294 1.092 20 0 ADADHN CCC1(O)CCN([C@H]2CCOC2)CC1 335834691 346422380 /nfs/dbraw/zinc/42/23/80/346422380.db2.gz IHFNUEFGFCJRAT-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN CCC1(O)CCN([C@@H]2CCOC2)CC1 335834692 346422753 /nfs/dbraw/zinc/42/27/53/346422753.db2.gz IHFNUEFGFCJRAT-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN CC(C)N1CCN(C[C@@H]2C[C@@H]2C)CC1 335837566 346423174 /nfs/dbraw/zinc/42/31/74/346423174.db2.gz CEYMGYJYUHAXES-RYUDHWBXSA-N 0 3 196.338 1.668 20 0 ADADHN CC(C)N1CCN(C[C@H]2C[C@H]2C)CC1 335837567 346423291 /nfs/dbraw/zinc/42/32/91/346423291.db2.gz CEYMGYJYUHAXES-VXGBXAGGSA-N 0 3 196.338 1.668 20 0 ADADHN CC(C)N1CCN(C[C@H]2C[C@@H]2C)CC1 335837565 346423300 /nfs/dbraw/zinc/42/33/00/346423300.db2.gz CEYMGYJYUHAXES-NWDGAFQWSA-N 0 3 196.338 1.668 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1cnnn1C 335846116 346423349 /nfs/dbraw/zinc/42/33/49/346423349.db2.gz ALAAGAKRLKLDPN-IUCAKERBSA-N 0 3 194.282 1.188 20 0 ADADHN Cc1nc(CN2[C@H](C)CC[C@H]2C)n[nH]1 335854493 346423869 /nfs/dbraw/zinc/42/38/69/346423869.db2.gz CXXUOALCHJMFPP-HTQZYQBOSA-N 0 3 194.282 1.486 20 0 ADADHN Cc1nc(CN2[C@@H](C)CC[C@@H]2C)n[nH]1 335854504 346424039 /nfs/dbraw/zinc/42/40/39/346424039.db2.gz CXXUOALCHJMFPP-YUMQZZPRSA-N 0 3 194.282 1.486 20 0 ADADHN Cc1nc(CN2[C@@H](C)CC[C@H]2C)n[nH]1 335854503 346424111 /nfs/dbraw/zinc/42/41/11/346424111.db2.gz CXXUOALCHJMFPP-OCAPTIKFSA-N 0 3 194.282 1.486 20 0 ADADHN Cc1nn(C)cc1CN(C)C1CCC1 335851126 346424237 /nfs/dbraw/zinc/42/42/37/346424237.db2.gz KCSBPERXCBMXIY-UHFFFAOYSA-N 0 3 193.294 1.713 20 0 ADADHN C[C@H]1COCCN1CC[C@H]1CCOC1 335861947 346424635 /nfs/dbraw/zinc/42/46/35/346424635.db2.gz ULOSLPQOSJFRCT-QWRGUYRKSA-N 0 3 199.294 1.134 20 0 ADADHN CNC(=O)CN(C)[C@@H]1CCC(C)(C)C1 335870926 346424864 /nfs/dbraw/zinc/42/48/64/346424864.db2.gz GLZKBUITGCFNLS-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H]1COCCN1CC[C@@H]1CCOC1 335861948 346425028 /nfs/dbraw/zinc/42/50/28/346425028.db2.gz ULOSLPQOSJFRCT-WDEREUQCSA-N 0 3 199.294 1.134 20 0 ADADHN CC1=CCCN([C@H](C)C(=O)N(C)C)C1 335873721 346425042 /nfs/dbraw/zinc/42/50/42/346425042.db2.gz UWLQCQLTXAMJCQ-SNVBAGLBSA-N 0 3 196.294 1.115 20 0 ADADHN CNC(=O)CN(C)[C@H]1CCC(C)(C)C1 335870927 346425088 /nfs/dbraw/zinc/42/50/88/346425088.db2.gz GLZKBUITGCFNLS-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC1=CCCN([C@@H](C)C(=O)N(C)C)C1 335873720 346425129 /nfs/dbraw/zinc/42/51/29/346425129.db2.gz UWLQCQLTXAMJCQ-JTQLQIEISA-N 0 3 196.294 1.115 20 0 ADADHN CCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 335874047 346425424 /nfs/dbraw/zinc/42/54/24/346425424.db2.gz NCBDKZYLRZNFLD-RKDXNWHRSA-N 0 3 196.294 1.138 20 0 ADADHN CCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 335874046 346425542 /nfs/dbraw/zinc/42/55/42/346425542.db2.gz NCBDKZYLRZNFLD-IUCAKERBSA-N 0 3 196.294 1.138 20 0 ADADHN CCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 335874044 346425611 /nfs/dbraw/zinc/42/56/11/346425611.db2.gz NCBDKZYLRZNFLD-DTWKUNHWSA-N 0 3 196.294 1.138 20 0 ADADHN CCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 335874042 346425730 /nfs/dbraw/zinc/42/57/30/346425730.db2.gz NCBDKZYLRZNFLD-BDAKNGLRSA-N 0 3 196.294 1.138 20 0 ADADHN CC1(C)CN(CCO)[C@@H]2CCC[C@H]2O1 335879258 346425765 /nfs/dbraw/zinc/42/57/65/346425765.db2.gz GMOUYAZZKFEXBH-NXEZZACHSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CCCCN1CC(=O)N1CCC1 335899466 346427003 /nfs/dbraw/zinc/42/70/03/346427003.db2.gz HSHXXCVSXGQXCB-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1ccnn1C 335901129 346427016 /nfs/dbraw/zinc/42/70/16/346427016.db2.gz GWIZYBHSYZBSJB-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2ccnn2C)C1 335901127 346427162 /nfs/dbraw/zinc/42/71/62/346427162.db2.gz GWIZYBHSYZBSJB-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN CC[C@@]1(C)COCCN1CC1CC1 335915898 346427648 /nfs/dbraw/zinc/42/76/48/346427648.db2.gz LBNUFAMMRQNTMT-NSHDSACASA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1N(CC2CC2)CCOC1(C)C 335916057 346427742 /nfs/dbraw/zinc/42/77/42/346427742.db2.gz RCJGNCXWFHCWOG-SECBINFHSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@]1(C)COCCN1CC1CC1 335915896 346427775 /nfs/dbraw/zinc/42/77/75/346427775.db2.gz LBNUFAMMRQNTMT-LLVKDONJSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@H]1CCCN(Cc2cnn(C)c2)C1 335914251 346427783 /nfs/dbraw/zinc/42/77/83/346427783.db2.gz SHPLUPHLEFBVFN-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN Cc1nn(C)c(C)c1CN(C)C(C)C 335914255 346427829 /nfs/dbraw/zinc/42/78/29/346427829.db2.gz WJRPUFNSACOQBA-UHFFFAOYSA-N 0 3 195.310 1.877 20 0 ADADHN CCCNC(=O)C12CCCN1CCC2 335929621 346428348 /nfs/dbraw/zinc/42/83/48/346428348.db2.gz CXBLUQJTEKJKEK-UHFFFAOYSA-N 0 3 196.294 1.141 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2cnnn2C)C1 335944477 346429249 /nfs/dbraw/zinc/42/92/49/346429249.db2.gz GRTKOLILTFIBHO-DTWKUNHWSA-N 0 3 194.282 1.045 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1cnnn1C 335944476 346429345 /nfs/dbraw/zinc/42/93/45/346429345.db2.gz GRTKOLILTFIBHO-BDAKNGLRSA-N 0 3 194.282 1.045 20 0 ADADHN C[C@H]1CCN(Cc2c[nH]cn2)C[C@H]1C 335944397 346429408 /nfs/dbraw/zinc/42/94/08/346429408.db2.gz QTAOSRVEQFWGGC-VHSXEESVSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@H]1CCN(Cc2cnc[nH]2)C[C@H]1C 335944397 346429411 /nfs/dbraw/zinc/42/94/11/346429411.db2.gz QTAOSRVEQFWGGC-VHSXEESVSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2cnnn2C)C1 335944478 346429440 /nfs/dbraw/zinc/42/94/40/346429440.db2.gz GRTKOLILTFIBHO-IUCAKERBSA-N 0 3 194.282 1.045 20 0 ADADHN CCC(=O)N[C@@H]1CCCN(C(C)C)C1 335949287 346429478 /nfs/dbraw/zinc/42/94/78/346429478.db2.gz SVWOQFCWRHHEDK-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CCC(=O)N[C@H]1CCCN(C(C)C)C1 335949286 346429550 /nfs/dbraw/zinc/42/95/50/346429550.db2.gz SVWOQFCWRHHEDK-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H]1CCN(Cc2c[nH]cn2)C[C@@H]1C 335944396 346429717 /nfs/dbraw/zinc/42/97/17/346429717.db2.gz QTAOSRVEQFWGGC-UWVGGRQHSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@H]1CCN(Cc2cnc[nH]2)C[C@@H]1C 335944396 346429721 /nfs/dbraw/zinc/42/97/21/346429721.db2.gz QTAOSRVEQFWGGC-UWVGGRQHSA-N 0 3 193.294 1.888 20 0 ADADHN Cc1[nH]ncc1CN1CCC=C(F)C1 335960849 346430315 /nfs/dbraw/zinc/43/03/15/346430315.db2.gz IXCONNSXRSLEAG-UHFFFAOYSA-N 0 3 195.241 1.777 20 0 ADADHN Cc1cnn(C)c1CN(C)C1CCC1 335998983 346432421 /nfs/dbraw/zinc/43/24/21/346432421.db2.gz PWTWJNRGDVUKRI-UHFFFAOYSA-N 0 3 193.294 1.713 20 0 ADADHN Cc1cnn(C)c1CN1CC[C@H](C)C1 335999118 346432792 /nfs/dbraw/zinc/43/27/92/346432792.db2.gz JQYDUHLZZMDTKP-VIFPVBQESA-N 0 3 193.294 1.570 20 0 ADADHN Cc1cnn(C)c1CN1CC[C@@H](C)C1 335999116 346432880 /nfs/dbraw/zinc/43/28/80/346432880.db2.gz JQYDUHLZZMDTKP-SECBINFHSA-N 0 3 193.294 1.570 20 0 ADADHN CC1=C(C)CN(CC(=O)N(C)C)CC1 336007693 346433615 /nfs/dbraw/zinc/43/36/15/346433615.db2.gz VQBFGHIQOAHAQU-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN CC[C@H](C)CN1CCn2cncc2C1 336012213 346433522 /nfs/dbraw/zinc/43/35/22/346433522.db2.gz ATZJXRDFEDCOEI-JTQLQIEISA-N 0 3 193.294 1.745 20 0 ADADHN CNC(=O)CN1CCCC(C)(C)CC1 336026679 346434120 /nfs/dbraw/zinc/43/41/20/346434120.db2.gz RQGKCBPXQVRMHI-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CN(C(=O)[C@H]1CCCN1C)C1CCC1 336025666 346434180 /nfs/dbraw/zinc/43/41/80/346434180.db2.gz XZWYWFIERVXJIP-SNVBAGLBSA-N 0 3 196.294 1.092 20 0 ADADHN CN(C(=O)[C@@H]1CCCN1C)C1CCC1 336025664 346434210 /nfs/dbraw/zinc/43/42/10/346434210.db2.gz XZWYWFIERVXJIP-JTQLQIEISA-N 0 3 196.294 1.092 20 0 ADADHN CN(Cc1cnn(C)c1)C1CCCC1 336023149 346434504 /nfs/dbraw/zinc/43/45/04/346434504.db2.gz VTWJBDMXURPXOJ-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN CCCN1CCCN(C(C)C)CC1=O 336058528 346435685 /nfs/dbraw/zinc/43/56/85/346435685.db2.gz ONDCOVURROHHSA-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@H](C)CN1CCCNC(=O)[C@@H]1C 336053725 346436299 /nfs/dbraw/zinc/43/62/99/346436299.db2.gz JUUWXPNNZIPXMF-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)NC(=O)[C@@H]1CCCN1C1CC1 336089407 346437280 /nfs/dbraw/zinc/43/72/80/346437280.db2.gz MZNWYSUENTYQBO-JTQLQIEISA-N 0 3 196.294 1.138 20 0 ADADHN CC(C)NC(=O)[C@H]1CCCN1C1CC1 336089408 346437300 /nfs/dbraw/zinc/43/73/00/346437300.db2.gz MZNWYSUENTYQBO-SNVBAGLBSA-N 0 3 196.294 1.138 20 0 ADADHN CC(C)N1C[C@@H](C)O[C@]2(CCOC2)C1 336087591 346437513 /nfs/dbraw/zinc/43/75/13/346437513.db2.gz MDEDQUKZBOOSHK-GHMZBOCLSA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)N1C[C@H](C)O[C@]2(CCOC2)C1 336087594 346437747 /nfs/dbraw/zinc/43/77/47/346437747.db2.gz MDEDQUKZBOOSHK-WDEREUQCSA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)N1C[C@H](C)O[C@@]2(CCOC2)C1 336087593 346437781 /nfs/dbraw/zinc/43/77/81/346437781.db2.gz MDEDQUKZBOOSHK-QWRGUYRKSA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)N1C[C@@H](C)O[C@@]2(CCOC2)C1 336087592 346437963 /nfs/dbraw/zinc/43/79/63/346437963.db2.gz MDEDQUKZBOOSHK-MNOVXSKESA-N 0 3 199.294 1.275 20 0 ADADHN CNC(=O)CN1CC[C@@H](C)C[C@H](C)C1 336112406 346438380 /nfs/dbraw/zinc/43/83/80/346438380.db2.gz XYPRGIDPQIBKRG-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN Cc1nc(CN2C[C@H](C)C[C@H]2C)n[nH]1 336110746 346438518 /nfs/dbraw/zinc/43/85/18/346438518.db2.gz KRGLQKJUKWXBPB-HTQZYQBOSA-N 0 3 194.282 1.343 20 0 ADADHN Cc1nc(CN2C[C@H](C)C[C@@H]2C)n[nH]1 336110748 346438766 /nfs/dbraw/zinc/43/87/66/346438766.db2.gz KRGLQKJUKWXBPB-SFYZADRCSA-N 0 3 194.282 1.343 20 0 ADADHN Cc1nc(CN2C[C@@H](C)C[C@H]2C)n[nH]1 336110747 346438853 /nfs/dbraw/zinc/43/88/53/346438853.db2.gz KRGLQKJUKWXBPB-JGVFFNPUSA-N 0 3 194.282 1.343 20 0 ADADHN CNC(=O)CN1CCC(C(C)C)CC1 336111041 346438896 /nfs/dbraw/zinc/43/88/96/346438896.db2.gz MYZJJCQVFAYFLP-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN Cc1nc(CN2C[C@@H](C)C[C@@H]2C)n[nH]1 336110749 346438933 /nfs/dbraw/zinc/43/89/33/346438933.db2.gz KRGLQKJUKWXBPB-YUMQZZPRSA-N 0 3 194.282 1.343 20 0 ADADHN CNC(=O)CN1CC[C@H](C)C[C@H](C)C1 336112404 346438943 /nfs/dbraw/zinc/43/89/43/346438943.db2.gz XYPRGIDPQIBKRG-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN CNC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 336112403 346438958 /nfs/dbraw/zinc/43/89/58/346438958.db2.gz XYPRGIDPQIBKRG-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CNC(=O)CN1CC[C@H](C)C[C@@H](C)C1 336112405 346438976 /nfs/dbraw/zinc/43/89/76/346438976.db2.gz XYPRGIDPQIBKRG-VHSXEESVSA-N 0 3 198.310 1.100 20 0 ADADHN CNC(=O)CN1CCC[C@H](C(C)C)C1 336116462 346439425 /nfs/dbraw/zinc/43/94/25/346439425.db2.gz AKZWNZDIYCBLKS-JTQLQIEISA-N 0 3 198.310 1.100 20 0 ADADHN CNC(=O)CN1CCC[C@@H](C(C)C)C1 336116468 346440083 /nfs/dbraw/zinc/44/00/83/346440083.db2.gz AKZWNZDIYCBLKS-SNVBAGLBSA-N 0 3 198.310 1.100 20 0 ADADHN CCC(=O)N1CCCN(C(C)C)CC1 336161122 346441601 /nfs/dbraw/zinc/44/16/01/346441601.db2.gz ITZFSODSRXKNQO-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN c1[nH]nnc1CN1CCC2(CCC2)C1 336191371 346443133 /nfs/dbraw/zinc/44/31/33/346443133.db2.gz KUFPDCHXCHJSNP-UHFFFAOYSA-N 0 3 192.266 1.181 20 0 ADADHN c1nc(CCN2CCCC2)cs1 336189969 346443393 /nfs/dbraw/zinc/44/33/93/346443393.db2.gz ZMCKHPMDNVVFGL-UHFFFAOYSA-N 0 3 182.292 1.781 20 0 ADADHN CN1CCN(CC2=CCCCC2)CC1 336197829 346443749 /nfs/dbraw/zinc/44/37/49/346443749.db2.gz XTUKIQJSEXAMNX-UHFFFAOYSA-N 0 3 194.322 1.734 20 0 ADADHN C[C@H]1CCN(Cc2cn[nH]n2)C[C@@H]1C 336197552 346443862 /nfs/dbraw/zinc/44/38/62/346443862.db2.gz ULRSUIAPBFWZGB-IUCAKERBSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H]1CCN(Cc2c[nH]nn2)C[C@@H]1C 336197552 346443864 /nfs/dbraw/zinc/44/38/64/346443864.db2.gz ULRSUIAPBFWZGB-IUCAKERBSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H](O)CCN1CC[C@](C)(F)C1 336199141 346444005 /nfs/dbraw/zinc/44/40/05/346444005.db2.gz LPYGVVREBHCIFV-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN CC1(C)CCN(Cc2c[nH]nn2)CC1 336194415 346444025 /nfs/dbraw/zinc/44/40/25/346444025.db2.gz QTVNIWWCAOJEPK-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN CC1(C)CCN(Cc2c[nH]nn2)C1 336192689 346444176 /nfs/dbraw/zinc/44/41/76/346444176.db2.gz XIUKYMHVVUPDND-UHFFFAOYSA-N 0 3 180.255 1.037 20 0 ADADHN C[C@H]1CCN(Cc2cn[nH]n2)C[C@H]1C 336197551 346444235 /nfs/dbraw/zinc/44/42/35/346444235.db2.gz ULRSUIAPBFWZGB-DTWKUNHWSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H]1CCN(Cc2c[nH]nn2)C[C@H]1C 336197551 346444238 /nfs/dbraw/zinc/44/42/38/346444238.db2.gz ULRSUIAPBFWZGB-DTWKUNHWSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@H](O)CCN1CC[C@@](C)(F)C1 336199140 346444282 /nfs/dbraw/zinc/44/42/82/346444282.db2.gz LPYGVVREBHCIFV-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN Cc1cnccc1CN(C)C1CC1 336209938 346445047 /nfs/dbraw/zinc/44/50/47/346445047.db2.gz PBVSWKYMBJNUGK-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN CC1(C)CCCN(Cc2c[nH]nn2)C1 336201954 346445079 /nfs/dbraw/zinc/44/50/79/346445079.db2.gz UHJCXZUFKBQMGA-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN Cc1cnccc1CN[C@H]1C[C@@H](O)C1 336211836 346445086 /nfs/dbraw/zinc/44/50/86/346445086.db2.gz IZHSOECHGSVEAQ-PHIMTYICSA-N 0 3 192.262 1.003 20 0 ADADHN Cc1ncccc1CN[C@H]1C[C@@H](O)C1 336209107 346445147 /nfs/dbraw/zinc/44/51/47/346445147.db2.gz MNVCTMSKVQDNAI-PHIMTYICSA-N 0 3 192.262 1.003 20 0 ADADHN Cc1ccoc1CN[C@H]1C[C@@H](O)C1 336209038 346445222 /nfs/dbraw/zinc/44/52/22/346445222.db2.gz DIJXNKPHJJNROG-DTORHVGOSA-N 0 3 181.235 1.201 20 0 ADADHN CCC1(N[C@@H]2CCn3ccnc32)CC1 336237134 346447227 /nfs/dbraw/zinc/44/72/27/346447227.db2.gz GVMAAQPBDDLFHF-SECBINFHSA-N 0 3 191.278 1.860 20 0 ADADHN CCC1(N[C@H]2CCn3ccnc32)CC1 336237135 346447320 /nfs/dbraw/zinc/44/73/20/346447320.db2.gz GVMAAQPBDDLFHF-VIFPVBQESA-N 0 3 191.278 1.860 20 0 ADADHN CC(C)[C@@H](O)CN1CC[C@H](F)C1 336262868 346448611 /nfs/dbraw/zinc/44/86/11/346448611.db2.gz HDJJBQBFGNQWBZ-IUCAKERBSA-N 0 3 175.247 1.047 20 0 ADADHN CC(C)[C@H](O)CN1CC[C@H](F)C1 336262867 346448888 /nfs/dbraw/zinc/44/88/88/346448888.db2.gz HDJJBQBFGNQWBZ-DTWKUNHWSA-N 0 3 175.247 1.047 20 0 ADADHN CC(C)[C@H](O)CN1CC[C@@H](F)C1 336262869 346449037 /nfs/dbraw/zinc/44/90/37/346449037.db2.gz HDJJBQBFGNQWBZ-RKDXNWHRSA-N 0 3 175.247 1.047 20 0 ADADHN CN(CC1=CCCCC1)C1CC(O)C1 336261658 346449140 /nfs/dbraw/zinc/44/91/40/346449140.db2.gz SIKKWIBXOFHDOF-UHFFFAOYSA-N 0 3 195.306 1.942 20 0 ADADHN CC(C)[C@@H](O)CN1CC[C@@H](F)C1 336262866 346449175 /nfs/dbraw/zinc/44/91/75/346449175.db2.gz HDJJBQBFGNQWBZ-BDAKNGLRSA-N 0 3 175.247 1.047 20 0 ADADHN C[C@H]1CCCCN(Cc2cn[nH]n2)C1 336257301 346449199 /nfs/dbraw/zinc/44/91/99/346449199.db2.gz DIVXWNOLLYQDRF-VIFPVBQESA-N 0 3 194.282 1.427 20 0 ADADHN Cc1nccn1CCN1CC[C@H](F)C1 336262592 346449216 /nfs/dbraw/zinc/44/92/16/346449216.db2.gz DMCUDVFCUVZGIZ-JTQLQIEISA-N 0 3 197.257 1.235 20 0 ADADHN Cc1cnc(CN2CC[C@@H](C)C2)cn1 336265218 346449494 /nfs/dbraw/zinc/44/94/94/346449494.db2.gz ZHXJCSQQTPVREQ-SECBINFHSA-N 0 3 191.278 1.627 20 0 ADADHN Cc1cnc(CN2CC[C@H](C)C2)cn1 336265219 346449526 /nfs/dbraw/zinc/44/95/26/346449526.db2.gz ZHXJCSQQTPVREQ-VIFPVBQESA-N 0 3 191.278 1.627 20 0 ADADHN C[C@H](F)CCN1CC[C@@H](F)C1 336263154 346449807 /nfs/dbraw/zinc/44/98/07/346449807.db2.gz VNENIIAHEKPIMR-JGVFFNPUSA-N 0 3 163.211 1.778 20 0 ADADHN C[C@H]1CN(Cc2cncn2C)C[C@@H]1C 336265152 346449858 /nfs/dbraw/zinc/44/98/58/346449858.db2.gz HLYGNZYCTKZCOR-UWVGGRQHSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@H](F)CCN1CC[C@H](F)C1 336263156 346449971 /nfs/dbraw/zinc/44/99/71/346449971.db2.gz VNENIIAHEKPIMR-YUMQZZPRSA-N 0 3 163.211 1.778 20 0 ADADHN CC[C@H](F)CN1CCCN(C)CC1 336278260 346451757 /nfs/dbraw/zinc/45/17/57/346451757.db2.gz HEINEWYYDBARGU-JTQLQIEISA-N 0 3 188.290 1.372 20 0 ADADHN CC[C@@H](F)CN1CCCN(C)CC1 336278261 346451865 /nfs/dbraw/zinc/45/18/65/346451865.db2.gz HEINEWYYDBARGU-SNVBAGLBSA-N 0 3 188.290 1.372 20 0 ADADHN C[C@H]1CCCCN(C(=O)C(C)(C)N)C1 336290178 346451944 /nfs/dbraw/zinc/45/19/44/346451944.db2.gz LFGFOGQBKUPFBB-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)N1CCO[C@]2(CCO[C@@H]2C)C1 336311744 346453307 /nfs/dbraw/zinc/45/33/07/346453307.db2.gz UTCQKFPQEPZNDU-GHMZBOCLSA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)N1CCO[C@]2(CCO[C@H]2C)C1 336311747 346453645 /nfs/dbraw/zinc/45/36/45/346453645.db2.gz UTCQKFPQEPZNDU-WDEREUQCSA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)N1CCO[C@@]2(CCO[C@H]2C)C1 336311746 346453727 /nfs/dbraw/zinc/45/37/27/346453727.db2.gz UTCQKFPQEPZNDU-QWRGUYRKSA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)N1CCO[C@@]2(CCO[C@@H]2C)C1 336311745 346453780 /nfs/dbraw/zinc/45/37/80/346453780.db2.gz UTCQKFPQEPZNDU-MNOVXSKESA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)N(C)CC(=O)N1CC[C@H](C)C1 336324148 346453997 /nfs/dbraw/zinc/45/39/97/346453997.db2.gz KZHNZWJVOSFQRX-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H]1C[C@H](C)CN(Cc2c[nH]cn2)C1 336328279 346454128 /nfs/dbraw/zinc/45/41/28/346454128.db2.gz GPJCXBSFOAYAIE-UWVGGRQHSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@H]1C[C@H](C)CN(Cc2cnc[nH]2)C1 336328279 346454130 /nfs/dbraw/zinc/45/41/30/346454130.db2.gz GPJCXBSFOAYAIE-UWVGGRQHSA-N 0 3 193.294 1.888 20 0 ADADHN CCn1cc(CN2CCC[C@H]2C)cn1 336325584 346454341 /nfs/dbraw/zinc/45/43/41/346454341.db2.gz AUEYQFURIWEWFF-SNVBAGLBSA-N 0 3 193.294 1.887 20 0 ADADHN C[C@H]1C[C@@H](C)CN(Cc2c[nH]cn2)C1 336328272 346454519 /nfs/dbraw/zinc/45/45/19/346454519.db2.gz GPJCXBSFOAYAIE-AOOOYVTPSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@H]1C[C@@H](C)CN(Cc2cnc[nH]2)C1 336328272 346454521 /nfs/dbraw/zinc/45/45/21/346454521.db2.gz GPJCXBSFOAYAIE-AOOOYVTPSA-N 0 3 193.294 1.888 20 0 ADADHN CCCN1CCc2n[nH]cc2C1 336334629 346454899 /nfs/dbraw/zinc/45/48/99/346454899.db2.gz ORKXXRANXSIHIP-UHFFFAOYSA-N 0 3 165.240 1.178 20 0 ADADHN CCCN1C[C@@H](C)OC(C)(C)C1 336334544 346455024 /nfs/dbraw/zinc/45/50/24/346455024.db2.gz FKLUXFRMDZPVRG-SECBINFHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1CCO[C@H]2CCC[C@@H]21 336333102 346455216 /nfs/dbraw/zinc/45/52/16/346455216.db2.gz PNAGZDZMPPYVEK-UWVGGRQHSA-N 0 3 169.268 1.650 20 0 ADADHN CCCN1CCO[C@@H]2CCC[C@@H]21 336333103 346455229 /nfs/dbraw/zinc/45/52/29/346455229.db2.gz PNAGZDZMPPYVEK-VHSXEESVSA-N 0 3 169.268 1.650 20 0 ADADHN CCCN1CCO[C@@H]2CCC[C@H]21 336333101 346455339 /nfs/dbraw/zinc/45/53/39/346455339.db2.gz PNAGZDZMPPYVEK-NXEZZACHSA-N 0 3 169.268 1.650 20 0 ADADHN CC[C@@H]1CCCN1CC(=O)N1CCC1 336334810 346455374 /nfs/dbraw/zinc/45/53/74/346455374.db2.gz ZLDPPDHACOJZPW-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN CCCN1CCOC[C@@]1(C)CC 336333096 346455382 /nfs/dbraw/zinc/45/53/82/346455382.db2.gz OODLHWXGRMCTQJ-SNVBAGLBSA-N 0 3 171.284 1.897 20 0 ADADHN CC(C)N(C)Cc1cccn1C 336334675 346455451 /nfs/dbraw/zinc/45/54/51/346455451.db2.gz ZEVJTRWBGGATBF-UHFFFAOYSA-N 0 3 166.268 1.865 20 0 ADADHN CCCN1CCOC[C@]1(C)CC 336333095 346455456 /nfs/dbraw/zinc/45/54/56/346455456.db2.gz OODLHWXGRMCTQJ-JTQLQIEISA-N 0 3 171.284 1.897 20 0 ADADHN CC[C@@H]1COCCN1CC(C)C 336334662 346455495 /nfs/dbraw/zinc/45/54/95/346455495.db2.gz WCFVAVSKZQOTGH-SNVBAGLBSA-N 0 3 171.284 1.753 20 0 ADADHN CC(C)NC(=O)CN1C[C@H](C)[C@@H](C)C1 336348217 346456620 /nfs/dbraw/zinc/45/66/20/346456620.db2.gz SQIUAYACMVIGPD-UWVGGRQHSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)NC(=O)CN1C[C@@H](C)[C@@H](C)C1 336348215 346456810 /nfs/dbraw/zinc/45/68/10/346456810.db2.gz SQIUAYACMVIGPD-AOOOYVTPSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)NC(=O)CN1C[C@@H](C)[C@H](C)C1 336348216 346456958 /nfs/dbraw/zinc/45/69/58/346456958.db2.gz SQIUAYACMVIGPD-NXEZZACHSA-N 0 3 198.310 1.099 20 0 ADADHN CN(Cc1cccc(O)c1)C1CC1 336354171 346457597 /nfs/dbraw/zinc/45/75/97/346457597.db2.gz NOMWSGYDOZUJOP-UHFFFAOYSA-N 0 3 177.247 1.986 20 0 ADADHN C[C@H]1CCCN(CC(=O)N(C)C)[C@H]1C 336394783 346459954 /nfs/dbraw/zinc/45/99/54/346459954.db2.gz RKOQXQVTUYYWQV-UWVGGRQHSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H]1CCCN(CC(=O)N(C)C)[C@@H]1C 336394784 346460136 /nfs/dbraw/zinc/46/01/36/346460136.db2.gz RKOQXQVTUYYWQV-VHSXEESVSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H]1[C@H](C)CCCN1CC(=O)N(C)C 336394785 346460178 /nfs/dbraw/zinc/46/01/78/346460178.db2.gz RKOQXQVTUYYWQV-ZJUUUORDSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCn2cncc2C1 336400942 346460894 /nfs/dbraw/zinc/46/08/94/346460894.db2.gz ZMFNJJGTHUMJRG-VHSXEESVSA-N 0 3 191.278 1.355 20 0 ADADHN CC(C)[C@@H](C(=O)N1CCCC1)N(C)C 336407192 346461305 /nfs/dbraw/zinc/46/13/05/346461305.db2.gz ZQEQKDFGUNRTOU-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H]1C[C@H]1CN1CCn2cncc2C1 336400941 346461315 /nfs/dbraw/zinc/46/13/15/346461315.db2.gz ZMFNJJGTHUMJRG-UWVGGRQHSA-N 0 3 191.278 1.355 20 0 ADADHN Cc1cccc(N2CC(N(C)C)C2)n1 336414005 346461902 /nfs/dbraw/zinc/46/19/02/346461902.db2.gz ZVLVIILGMCOGKM-UHFFFAOYSA-N 0 3 191.278 1.140 20 0 ADADHN CCCC(=O)N1CCN(C)CC[C@H]1C 336436464 346463048 /nfs/dbraw/zinc/46/30/48/346463048.db2.gz SZCFIQLMAPRCCJ-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CC1=CCN(CCn2cccn2)CC1 336467306 346464167 /nfs/dbraw/zinc/46/41/67/346464167.db2.gz QBQYLGLLGQIKQB-UHFFFAOYSA-N 0 3 191.278 1.535 20 0 ADADHN CC[C@H](C(=O)N1CC[C@H](C)C1)N(C)C 336471628 346464983 /nfs/dbraw/zinc/46/49/83/346464983.db2.gz DQRGUULSNOGCIX-VHSXEESVSA-N 0 3 198.310 1.195 20 0 ADADHN CNC(=O)CN1CC[C@H](C(C)(C)C)C1 336475509 346465004 /nfs/dbraw/zinc/46/50/04/346465004.db2.gz RFGNUTBNHVZHIQ-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN Cc1ncc2c(n1)CCN(C(C)C)C2 336469093 346465089 /nfs/dbraw/zinc/46/50/89/346465089.db2.gz WYJFOHWZEMTPPP-UHFFFAOYSA-N 0 3 191.278 1.552 20 0 ADADHN CC[C@H](C(=O)N1CC[C@@H](C)C1)N(C)C 336471626 346465260 /nfs/dbraw/zinc/46/52/60/346465260.db2.gz DQRGUULSNOGCIX-NXEZZACHSA-N 0 3 198.310 1.195 20 0 ADADHN CNC(=O)CN1CC[C@@H](C(C)(C)C)C1 336475507 346465364 /nfs/dbraw/zinc/46/53/64/346465364.db2.gz RFGNUTBNHVZHIQ-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2nccn2C)C1 336486052 346467243 /nfs/dbraw/zinc/46/72/43/346467243.db2.gz BOOBZPDIGMWODD-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2nccn2C)C1 336486053 346467349 /nfs/dbraw/zinc/46/73/49/346467349.db2.gz BOOBZPDIGMWODD-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1nccn1C 336486054 346467420 /nfs/dbraw/zinc/46/74/20/346467420.db2.gz BOOBZPDIGMWODD-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CC[C@H](C)N(CC(=O)N(C)C)C1 336495823 346468167 /nfs/dbraw/zinc/46/81/67/346468167.db2.gz ZAGXSOMHUCFGFV-UWVGGRQHSA-N 0 3 198.310 1.195 20 0 ADADHN CNC(=O)CN(C)[C@@H]1CCCC[C@H]1C 336515356 346468837 /nfs/dbraw/zinc/46/88/37/346468837.db2.gz LILCQHRBRKVPBD-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N1CCCC[C@@H]1C(C)C 336517491 346468869 /nfs/dbraw/zinc/46/88/69/346468869.db2.gz BJSQIKVNKLQQRI-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN(C)[C@@H]1CCCC[C@@H]1C 336515358 346468957 /nfs/dbraw/zinc/46/89/57/346468957.db2.gz LILCQHRBRKVPBD-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN(C)[C@H]1CCCC[C@@H]1C 336515357 346469013 /nfs/dbraw/zinc/46/90/13/346469013.db2.gz LILCQHRBRKVPBD-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN(C)[C@H]1CCCC[C@H]1C 336515359 346469055 /nfs/dbraw/zinc/46/90/55/346469055.db2.gz LILCQHRBRKVPBD-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1ncc(CN(C)C2CCC2)cn1 336509032 346469202 /nfs/dbraw/zinc/46/92/02/346469202.db2.gz CYVRHZBGWXGVAQ-UHFFFAOYSA-N 0 3 191.278 1.769 20 0 ADADHN CC(C)N(C)CC(=O)N1CCC[C@@H]1C 336525432 346469578 /nfs/dbraw/zinc/46/95/78/346469578.db2.gz JTYNAMYKEMJBIC-JTQLQIEISA-N 0 3 198.310 1.338 20 0 ADADHN CC[C@@]1(C)CCCN(CC(=O)NC)C1 336546320 346470465 /nfs/dbraw/zinc/47/04/65/346470465.db2.gz MVVRFOKVUSZIHI-NSHDSACASA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@]1(C)CCCN(CC(=O)NC)C1 336546319 346470680 /nfs/dbraw/zinc/47/06/80/346470680.db2.gz MVVRFOKVUSZIHI-LLVKDONJSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@@H]1CCCN1Cc1n[nH]c(C)n1 336545941 346470961 /nfs/dbraw/zinc/47/09/61/346470961.db2.gz NTHARZRMLHVWOC-SECBINFHSA-N 0 3 194.282 1.488 20 0 ADADHN CC(C)N(C)Cc1cncn1C 336552532 346471013 /nfs/dbraw/zinc/47/10/13/346471013.db2.gz GDVCKLFVPCHJBK-UHFFFAOYSA-N 0 3 167.256 1.260 20 0 ADADHN CC[C@H]1CCCN1Cc1n[nH]c(C)n1 336545942 346471047 /nfs/dbraw/zinc/47/10/47/346471047.db2.gz NTHARZRMLHVWOC-VIFPVBQESA-N 0 3 194.282 1.488 20 0 ADADHN CCCN1CCO[C@H](C)[C@H]1C 336553210 346471224 /nfs/dbraw/zinc/47/12/24/346471224.db2.gz AINCYWCRCPESPA-RKDXNWHRSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1CCO[C@@H](C)[C@H]1C 336553207 346471262 /nfs/dbraw/zinc/47/12/62/346471262.db2.gz AINCYWCRCPESPA-BDAKNGLRSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1CCO[C@@H](C)[C@@H]1C 336553209 346471304 /nfs/dbraw/zinc/47/13/04/346471304.db2.gz AINCYWCRCPESPA-IUCAKERBSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1CCO[C@H](C)[C@@H]1C 336553208 346471321 /nfs/dbraw/zinc/47/13/21/346471321.db2.gz AINCYWCRCPESPA-DTWKUNHWSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1C[C@H](C)OC[C@H]1C 336553405 346472119 /nfs/dbraw/zinc/47/21/19/346472119.db2.gz LAPJIFWNKOTZIX-BDAKNGLRSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1C[C@@H](C)OC[C@H]1C 336553408 346472160 /nfs/dbraw/zinc/47/21/60/346472160.db2.gz LAPJIFWNKOTZIX-RKDXNWHRSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1C[C@H](C)OC[C@@H]1C 336553407 346472205 /nfs/dbraw/zinc/47/22/05/346472205.db2.gz LAPJIFWNKOTZIX-IUCAKERBSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN1C[C@@H](C)OC[C@@H]1C 336553406 346472308 /nfs/dbraw/zinc/47/23/08/346472308.db2.gz LAPJIFWNKOTZIX-DTWKUNHWSA-N 0 3 157.257 1.506 20 0 ADADHN Cc1c(CN(C)C(C)C)cnn1C 336553638 346472334 /nfs/dbraw/zinc/47/23/34/346472334.db2.gz IQLZGYMTCZPWON-UHFFFAOYSA-N 0 3 181.283 1.569 20 0 ADADHN CCCN1CCN(C2CCC2)CC1 336553357 346472475 /nfs/dbraw/zinc/47/24/75/346472475.db2.gz RFGODDHATHQUPM-UHFFFAOYSA-N 0 3 182.311 1.567 20 0 ADADHN CCCN1C[C@H](C)O[C@H](CC)C1 336554197 346472888 /nfs/dbraw/zinc/47/28/88/346472888.db2.gz FFZILLPUJNZAPB-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CN(Cc1cncn1C)C1CCCC1 336554723 346472897 /nfs/dbraw/zinc/47/28/97/346472897.db2.gz MHCVXEMSEHXZSL-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN CCCN1CCOC(C)(C)[C@H]1C 336554256 346472922 /nfs/dbraw/zinc/47/29/22/346472922.db2.gz NTMQLJMCFZWVAZ-SECBINFHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1C[C@@H](C)O[C@H](CC)C1 336554195 346473468 /nfs/dbraw/zinc/47/34/68/346473468.db2.gz FFZILLPUJNZAPB-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H]1CN(C(C)C)C[C@H](C)O1 336554230 346473162 /nfs/dbraw/zinc/47/31/62/346473162.db2.gz IPSUXNZDVNDFJP-UWVGGRQHSA-N 0 3 171.284 1.894 20 0 ADADHN Cc1cc(CN2CC[C@H](C)C2)on1 336553852 346473201 /nfs/dbraw/zinc/47/32/01/346473201.db2.gz OTGKSLXBUGHSBU-QMMMGPOBSA-N 0 3 180.251 1.825 20 0 ADADHN C[C@H]1CCN(Cc2cnn(C)c2)C1 336553798 346473283 /nfs/dbraw/zinc/47/32/83/346473283.db2.gz AEEKOJCCTWSSHE-VIFPVBQESA-N 0 3 179.267 1.262 20 0 ADADHN CCCN1C[C@H](CC)O[C@H](C)C1 336554199 346473313 /nfs/dbraw/zinc/47/33/13/346473313.db2.gz FFZILLPUJNZAPB-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN Cc1cc(CN2CC[C@@H](C)C2)on1 336553851 346473321 /nfs/dbraw/zinc/47/33/21/346473321.db2.gz OTGKSLXBUGHSBU-MRVPVSSYSA-N 0 3 180.251 1.825 20 0 ADADHN CN1CC[C@H](N(C)C2CCCC2)C1=O 336553978 346473339 /nfs/dbraw/zinc/47/33/39/346473339.db2.gz TXVHLHVHHHYMLM-JTQLQIEISA-N 0 3 196.294 1.092 20 0 ADADHN CC[C@@H]1CN(C(C)C)C[C@H](C)O1 336554232 346473356 /nfs/dbraw/zinc/47/33/56/346473356.db2.gz IPSUXNZDVNDFJP-VHSXEESVSA-N 0 3 171.284 1.894 20 0 ADADHN CC[C@@H]1CN(C(C)C)C[C@@H](C)O1 336554229 346473418 /nfs/dbraw/zinc/47/34/18/346473418.db2.gz IPSUXNZDVNDFJP-NXEZZACHSA-N 0 3 171.284 1.894 20 0 ADADHN CCCN1C[C@H](C)O[C@@H](CC)C1 336554196 346473455 /nfs/dbraw/zinc/47/34/55/346473455.db2.gz FFZILLPUJNZAPB-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1CCOC(C)(C)[C@@H]1C 336554257 346473526 /nfs/dbraw/zinc/47/35/26/346473526.db2.gz NTMQLJMCFZWVAZ-VIFPVBQESA-N 0 3 171.284 1.896 20 0 ADADHN CC1=CCN(C[C@H]2COCCO2)CC1 336555686 346473840 /nfs/dbraw/zinc/47/38/40/346473840.db2.gz VHKRGRPAGQHRIC-NSHDSACASA-N 0 3 197.278 1.054 20 0 ADADHN Cc1c(CN2CCC[C@@H]2C)cnn1C 336555522 346473857 /nfs/dbraw/zinc/47/38/57/346473857.db2.gz VIOWXGCZUARFCW-VIFPVBQESA-N 0 3 193.294 1.713 20 0 ADADHN C[C@H]1CCCCN1Cc1cncn1C 336554848 346474181 /nfs/dbraw/zinc/47/41/81/346474181.db2.gz GCROGDAOMUTWNH-JTQLQIEISA-N 0 3 193.294 1.795 20 0 ADADHN CN(C[C@@H]1CCCO1)C1CC1 336554815 346474248 /nfs/dbraw/zinc/47/42/48/346474248.db2.gz WKZSLKRRVQSDGI-VIFPVBQESA-N 0 3 155.241 1.260 20 0 ADADHN Cc1c(CN2CCC[C@H]2C)cnn1C 336555521 346474280 /nfs/dbraw/zinc/47/42/80/346474280.db2.gz VIOWXGCZUARFCW-SECBINFHSA-N 0 3 193.294 1.713 20 0 ADADHN CC1=CCN(C[C@@H]2COCCO2)CC1 336555685 346474306 /nfs/dbraw/zinc/47/43/06/346474306.db2.gz VHKRGRPAGQHRIC-LLVKDONJSA-N 0 3 197.278 1.054 20 0 ADADHN Cc1c(CN(C)C2CCC2)cnn1C 336555450 346474410 /nfs/dbraw/zinc/47/44/10/346474410.db2.gz GJEVBTGHFSSGFL-UHFFFAOYSA-N 0 3 193.294 1.713 20 0 ADADHN CC1(C)CCN(CCn2cncn2)C1 336554919 346474496 /nfs/dbraw/zinc/47/44/96/346474496.db2.gz DWJUSKFANYMOOF-UHFFFAOYSA-N 0 3 194.282 1.010 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@H]1C(C)C 336556031 346474917 /nfs/dbraw/zinc/47/49/17/346474917.db2.gz HNPANFRYGKVBHN-NSHDSACASA-N 0 3 193.294 1.948 20 0 ADADHN CC(C)NC(=O)CN1C[C@@H](C)C[C@@H]1C 336584860 346477138 /nfs/dbraw/zinc/47/71/38/346477138.db2.gz IDKRPVTXHAOAOT-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN C[C@H]1COC[C@@H](C)N1CC1CC1 336555735 346475040 /nfs/dbraw/zinc/47/50/40/346475040.db2.gz ISBIIQTUILKJBC-DTORHVGOSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@H]1C[C@H](C)N(Cc2cnn(C)c2)C1 336556164 346475165 /nfs/dbraw/zinc/47/51/65/346475165.db2.gz RZJPBIRJTZIWMD-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN CC[C@@H]1CN(CC2CC2)CCO1 336555753 346475272 /nfs/dbraw/zinc/47/52/72/346475272.db2.gz MLVOOXFMJYGXKM-SNVBAGLBSA-N 0 3 169.268 1.507 20 0 ADADHN Cc1cc(CN2CCCC2)on1 336555767 346475428 /nfs/dbraw/zinc/47/54/28/346475428.db2.gz QNQYCMRXLVOQEC-UHFFFAOYSA-N 0 3 166.224 1.579 20 0 ADADHN C[C@H]1CN(Cc2cnn(C)c2)C[C@@H]1C 336556102 346475467 /nfs/dbraw/zinc/47/54/67/346475467.db2.gz CZWMCVRPGLZOQT-UWVGGRQHSA-N 0 3 193.294 1.508 20 0 ADADHN Cc1n[nH]cc1CN1CC[C@@H]1C(C)C 336556030 346475498 /nfs/dbraw/zinc/47/54/98/346475498.db2.gz HNPANFRYGKVBHN-LLVKDONJSA-N 0 3 193.294 1.948 20 0 ADADHN C[C@H]1C[C@@H](C)CN1Cc1cnn(C)c1 336556166 346475505 /nfs/dbraw/zinc/47/55/05/346475505.db2.gz RZJPBIRJTZIWMD-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1C[C@@H](C)N(Cc2cnn(C)c2)C1 336556165 346475536 /nfs/dbraw/zinc/47/55/36/346475536.db2.gz RZJPBIRJTZIWMD-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1COC[C@H](C)N1CC1CC1 336555736 346475633 /nfs/dbraw/zinc/47/56/33/346475633.db2.gz ISBIIQTUILKJBC-IUCAKERBSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCOCC12CCC2 336568383 346476139 /nfs/dbraw/zinc/47/61/39/346476139.db2.gz JNWXTSXKQBUUIW-WDEREUQCSA-N 0 3 195.306 1.897 20 0 ADADHN CC(C)NC(=O)CN1C[C@H](C)C[C@H]1C 336584858 346476749 /nfs/dbraw/zinc/47/67/49/346476749.db2.gz IDKRPVTXHAOAOT-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)NC(=O)CN1C[C@@H](C)C[C@H]1C 336584862 346476984 /nfs/dbraw/zinc/47/69/84/346476984.db2.gz IDKRPVTXHAOAOT-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)NC(=O)CN1C[C@H](C)C[C@@H]1C 336584864 346476992 /nfs/dbraw/zinc/47/69/92/346476992.db2.gz IDKRPVTXHAOAOT-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN Cc1nn(C)cc1CN1CCCCC1 336586492 346477002 /nfs/dbraw/zinc/47/70/02/346477002.db2.gz RYPFIRPTXPZNCH-UHFFFAOYSA-N 0 3 193.294 1.714 20 0 ADADHN C[C@H]1CCCN(Cc2cncn2C)C1 336594542 346477849 /nfs/dbraw/zinc/47/78/49/346477849.db2.gz AZOMLYXQQTUECD-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN C[C@H]1CC[C@@H](CN(C)C2CC(O)C2)O1 336608714 346478453 /nfs/dbraw/zinc/47/84/53/346478453.db2.gz SIHYKJCXVQRHMP-PMUOWJKOSA-N 0 3 199.294 1.009 20 0 ADADHN CC1=CCN(CC2=CCCOC2)CC1 336613621 346478507 /nfs/dbraw/zinc/47/85/07/346478507.db2.gz ORAZPOCWMAIGMO-UHFFFAOYSA-N 0 3 193.290 1.985 20 0 ADADHN Cc1ccoc1CN1C[C@@H](O)C[C@@H]1C 336608703 346478608 /nfs/dbraw/zinc/47/86/08/346478608.db2.gz QCKVTYBSKRIIHI-UWVGGRQHSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1ccoc1CN1C[C@@H](O)C[C@H]1C 336608705 346478729 /nfs/dbraw/zinc/47/87/29/346478729.db2.gz QCKVTYBSKRIIHI-ZJUUUORDSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1ccoc1CN1C[C@H](O)C[C@@H]1C 336608704 346478757 /nfs/dbraw/zinc/47/87/57/346478757.db2.gz QCKVTYBSKRIIHI-VHSXEESVSA-N 0 3 195.262 1.543 20 0 ADADHN Cc1ccoc1CN1C[C@H](O)C[C@H]1C 336608702 346478787 /nfs/dbraw/zinc/47/87/87/346478787.db2.gz QCKVTYBSKRIIHI-NXEZZACHSA-N 0 3 195.262 1.543 20 0 ADADHN C[C@H]1CC[C@H](CN(C)C2CC(O)C2)O1 336608713 346478861 /nfs/dbraw/zinc/47/88/61/346478861.db2.gz SIHYKJCXVQRHMP-IDWGSYCQSA-N 0 3 199.294 1.009 20 0 ADADHN CC[C@H]1CCN(Cc2ccnn2C)C1 336603156 346478889 /nfs/dbraw/zinc/47/88/89/346478889.db2.gz KEWLPFMUEVEFNI-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN CCC1(C)CCN(CC(=O)NC)CC1 336625521 346479752 /nfs/dbraw/zinc/47/97/52/346479752.db2.gz DYZFYAKBPWMCMH-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@H]1COCCN1C[C@H]1CCOC1 336631424 346480013 /nfs/dbraw/zinc/48/00/13/346480013.db2.gz LIUQFFMZDUDXDW-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@H]1CN(CC2CC2)C[C@H](C)O1 336630463 346480053 /nfs/dbraw/zinc/48/00/53/346480053.db2.gz OCDMUUQPFDVJAJ-ONGXEEELSA-N 0 3 183.295 1.896 20 0 ADADHN CNC(=O)CN1CCC[C@H]1C(C)(C)C 336629948 346480101 /nfs/dbraw/zinc/48/01/01/346480101.db2.gz IPZWUWUYVQQGJX-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN1CCC[C@@H]1C(C)(C)C 336629947 346480200 /nfs/dbraw/zinc/48/02/00/346480200.db2.gz IPZWUWUYVQQGJX-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1CN(CC2CC2)C[C@@H](C)O1 336630462 346480345 /nfs/dbraw/zinc/48/03/45/346480345.db2.gz OCDMUUQPFDVJAJ-MWLCHTKSSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@H]1CN(CC2CC2)C[C@@H](C)O1 336630461 346480353 /nfs/dbraw/zinc/48/03/53/346480353.db2.gz OCDMUUQPFDVJAJ-KOLCDFICSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@@H]1COCCN1C[C@@H]1CCOC1 336631426 346480435 /nfs/dbraw/zinc/48/04/35/346480435.db2.gz LIUQFFMZDUDXDW-WDEREUQCSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@H]1COCCN1C[C@@H]1CCOC1 336631425 346480458 /nfs/dbraw/zinc/48/04/58/346480458.db2.gz LIUQFFMZDUDXDW-QWRGUYRKSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@@H]1CN(CC2CC2)C[C@H](C)O1 336630460 346480475 /nfs/dbraw/zinc/48/04/75/346480475.db2.gz OCDMUUQPFDVJAJ-GXSJLCMTSA-N 0 3 183.295 1.896 20 0 ADADHN Cc1n[nH]cc1CN1CCC(C)CC1 336627313 346480558 /nfs/dbraw/zinc/48/05/58/346480558.db2.gz YIUZRKYUQPJLKQ-UHFFFAOYSA-N 0 3 193.294 1.950 20 0 ADADHN CC[C@@H]1COCCN1C[C@H]1CCOC1 336631423 346480564 /nfs/dbraw/zinc/48/05/64/346480564.db2.gz LIUQFFMZDUDXDW-GHMZBOCLSA-N 0 3 199.294 1.134 20 0 ADADHN CN(Cc1cnn(C)c1)C1CCC1 336631478 346480852 /nfs/dbraw/zinc/48/08/52/346480852.db2.gz XZDFIMGHOZGNQQ-UHFFFAOYSA-N 0 3 179.267 1.404 20 0 ADADHN Cc1cc(CN2CCC[C@H]2C)on1 336631445 346480903 /nfs/dbraw/zinc/48/09/03/346480903.db2.gz QFFJPWCJSQXTOM-SECBINFHSA-N 0 3 180.251 1.967 20 0 ADADHN C[C@H]1CCCN1Cc1cnn(C)c1 336631438 346480937 /nfs/dbraw/zinc/48/09/37/346480937.db2.gz NVGKVWIYMQEDJK-VIFPVBQESA-N 0 3 179.267 1.404 20 0 ADADHN Cc1cc(CN2CCC[C@@H]2C)on1 336631446 346480986 /nfs/dbraw/zinc/48/09/86/346480986.db2.gz QFFJPWCJSQXTOM-VIFPVBQESA-N 0 3 180.251 1.967 20 0 ADADHN C[C@H]1CCCN1Cc1cncn1C 336631461 346481007 /nfs/dbraw/zinc/48/10/07/346481007.db2.gz VGWHVSTXRSMVOU-VIFPVBQESA-N 0 3 179.267 1.404 20 0 ADADHN CC(C)SCCN(C)CCO 378954117 346486687 /nfs/dbraw/zinc/48/66/87/346486687.db2.gz SGZSFBFEGPYKMC-UHFFFAOYSA-N 0 3 177.313 1.052 20 0 ADADHN CN(C)CCSCC(F)(F)F 378920462 346486722 /nfs/dbraw/zinc/48/67/22/346486722.db2.gz OVUAPDNIXLWCQT-UHFFFAOYSA-N 0 3 187.230 1.844 20 0 ADADHN C1=C[C@@H](OC2CNC2)CCCCC1 379300281 346491424 /nfs/dbraw/zinc/49/14/24/346491424.db2.gz KGGDJOUDKIBLOQ-SNVBAGLBSA-N 0 3 181.279 1.864 20 0 ADADHN C1=C[C@H](OC2CNC2)CCCCC1 379300280 346491495 /nfs/dbraw/zinc/49/14/95/346491495.db2.gz KGGDJOUDKIBLOQ-JTQLQIEISA-N 0 3 181.279 1.864 20 0 ADADHN CSC1(CN[C@H](C)CF)CC1 379307589 346492107 /nfs/dbraw/zinc/49/21/07/346492107.db2.gz WILGFZQHAWAFOF-SSDOTTSWSA-N 0 3 177.288 1.830 20 0 ADADHN CSC1(CN[C@@H](C)CF)CC1 379307590 346492173 /nfs/dbraw/zinc/49/21/73/346492173.db2.gz WILGFZQHAWAFOF-ZETCQYMHSA-N 0 3 177.288 1.830 20 0 ADADHN CCN(CC=C(C)C)CCOC 379312246 346492670 /nfs/dbraw/zinc/49/26/70/346492670.db2.gz XRXQONKCROZAQK-UHFFFAOYSA-N 0 3 171.284 1.921 20 0 ADADHN CC(C)OCCSCCN(C)C 379322933 346496072 /nfs/dbraw/zinc/49/60/72/346496072.db2.gz MNYCLUSOVIUAED-UHFFFAOYSA-N 0 3 191.340 1.706 20 0 ADADHN COCC[C@@H](C)SCCN(C)C 379326636 346498125 /nfs/dbraw/zinc/49/81/25/346498125.db2.gz IVFUEFQSNLMDCG-SECBINFHSA-N 0 3 191.340 1.706 20 0 ADADHN COCCN(C)[C@@H]1C=CCCC1 379326573 346498137 /nfs/dbraw/zinc/49/81/37/346498137.db2.gz IQHBMWNXZGUHJD-SNVBAGLBSA-N 0 3 169.268 1.673 20 0 ADADHN COCCN(C)[C@H]1C=CCCC1 379326572 346498183 /nfs/dbraw/zinc/49/81/83/346498183.db2.gz IQHBMWNXZGUHJD-JTQLQIEISA-N 0 3 169.268 1.673 20 0 ADADHN COCC[C@H](C)SCCN(C)C 379326637 346498268 /nfs/dbraw/zinc/49/82/68/346498268.db2.gz IVFUEFQSNLMDCG-VIFPVBQESA-N 0 3 191.340 1.706 20 0 ADADHN CCSCCN(C)C1CC(O)C1 379328823 346498610 /nfs/dbraw/zinc/49/86/10/346498610.db2.gz RJEBHBBRXGZDOW-UHFFFAOYSA-N 0 3 189.324 1.195 20 0 ADADHN CN(C)CCSCc1cn[nH]c1 379330815 346499890 /nfs/dbraw/zinc/49/98/90/346499890.db2.gz YKOLPQORODAOJT-UHFFFAOYSA-N 0 3 185.296 1.205 20 0 ADADHN CC[C@H](C)CN(C)CC(=O)N(C)C 379355784 346505052 /nfs/dbraw/zinc/50/50/52/346505052.db2.gz MCALKZFJJKWBNE-VIFPVBQESA-N 0 3 186.299 1.053 20 0 ADADHN CC[C@@H](C)CN(C)CC(=O)N(C)C 379355783 346505174 /nfs/dbraw/zinc/50/51/74/346505174.db2.gz MCALKZFJJKWBNE-SECBINFHSA-N 0 3 186.299 1.053 20 0 ADADHN CSC1(CNCc2ccno2)CC1 379353625 346505244 /nfs/dbraw/zinc/50/52/44/346505244.db2.gz GACMAFQDNANDPJ-UHFFFAOYSA-N 0 3 198.291 1.660 20 0 ADADHN CSCCNCc1c(C)cnn1C 379361223 346507102 /nfs/dbraw/zinc/50/71/02/346507102.db2.gz DRXIPWADIHWVJX-UHFFFAOYSA-N 0 3 199.323 1.181 20 0 ADADHN CCN(CC)Cc1cnc(C)nc1 379367422 346507853 /nfs/dbraw/zinc/50/78/53/346507853.db2.gz UYBIIDNTKIEHDX-UHFFFAOYSA-N 0 3 179.267 1.627 20 0 ADADHN CNC(=O)CCN(C)CC=C(C)C 379379705 346509981 /nfs/dbraw/zinc/50/99/81/346509981.db2.gz BDUPNHBAZZCMMJ-UHFFFAOYSA-N 0 3 184.283 1.021 20 0 ADADHN CC(C)C(C)(C)NCc1ncc[nH]1 379380756 346510527 /nfs/dbraw/zinc/51/05/27/346510527.db2.gz FQHLNZUWRJOAGH-UHFFFAOYSA-N 0 3 181.283 1.934 20 0 ADADHN CCNC(=O)CN(C)CC(C)(C)C 379384022 346511417 /nfs/dbraw/zinc/51/14/17/346511417.db2.gz MNKGXNSVRRNMOS-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCNC(=O)CN(C)CCC(C)C 379385066 346512168 /nfs/dbraw/zinc/51/21/68/346512168.db2.gz RITQPKYCXWKKDW-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CN(Cc1ccccn1)CC1CC1 379387259 346513012 /nfs/dbraw/zinc/51/30/12/346513012.db2.gz HAVFPZUATDDACG-UHFFFAOYSA-N 0 3 176.263 1.923 20 0 ADADHN COC(=O)CCCN1CC=CCC1 379391882 346514178 /nfs/dbraw/zinc/51/41/78/346514178.db2.gz QPCUAZGCWZQDOR-UHFFFAOYSA-N 0 3 183.251 1.202 20 0 ADADHN CN(C)CCSCc1nccn1C 379392436 346514247 /nfs/dbraw/zinc/51/42/47/346514247.db2.gz RWOMZSIMIQSZJA-UHFFFAOYSA-N 0 3 199.323 1.215 20 0 ADADHN CCCN(C)CC(=O)N(C)CCC 379395161 346514756 /nfs/dbraw/zinc/51/47/56/346514756.db2.gz YRIAXDRUADYEQU-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN COC(=O)CCN1CCC=C(C)C1 379394124 346514786 /nfs/dbraw/zinc/51/47/86/346514786.db2.gz WNFLPNIFBNIESB-UHFFFAOYSA-N 0 3 183.251 1.202 20 0 ADADHN CN(C)CCSCCn1cccn1 379393740 346514940 /nfs/dbraw/zinc/51/49/40/346514940.db2.gz VMXOFTWDDJOLJW-UHFFFAOYSA-N 0 3 199.323 1.178 20 0 ADADHN CCCNC(=O)[C@H](C(C)C)N(C)C 379397275 346515724 /nfs/dbraw/zinc/51/57/24/346515724.db2.gz DQDWXFHKOWRERP-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)N(CC(N)=O)C1CCCC1 379395552 346515850 /nfs/dbraw/zinc/51/58/50/346515850.db2.gz ZWIBJPGPJMUFLS-UHFFFAOYSA-N 0 3 184.283 1.125 20 0 ADADHN CCCNC(=O)[C@@H](C(C)C)N(C)C 379397274 346515914 /nfs/dbraw/zinc/51/59/14/346515914.db2.gz DQDWXFHKOWRERP-SECBINFHSA-N 0 3 186.299 1.099 20 0 ADADHN CCC(C)(C)N(C)CC(=O)N(C)C 379404113 346518050 /nfs/dbraw/zinc/51/80/50/346518050.db2.gz QVBVSGAGAPXDIF-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN CCN(CC(=O)NC)[C@H](C)C(C)C 379404626 346518308 /nfs/dbraw/zinc/51/83/08/346518308.db2.gz RQBGKLMLDGMHOJ-SECBINFHSA-N 0 3 186.299 1.099 20 0 ADADHN CCN(CC(=O)NC)[C@@H](C)C(C)C 379404627 346518478 /nfs/dbraw/zinc/51/84/78/346518478.db2.gz RQBGKLMLDGMHOJ-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CCCN(C)CC(=O)NCC(C)C 379405765 346519197 /nfs/dbraw/zinc/51/91/97/346519197.db2.gz UVGYLEGYZACMCM-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCCNC(=O)CN(C)[C@@H](C)CC 379408584 346519711 /nfs/dbraw/zinc/51/97/11/346519711.db2.gz BDFOBYCVUIZUQJ-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CC(C)=CCN(CCCO)C1CC1 379406834 346519721 /nfs/dbraw/zinc/51/97/21/346519721.db2.gz XHYKFLXOIYHYIJ-UHFFFAOYSA-N 0 3 183.295 1.799 20 0 ADADHN CCCNC(=O)CN(C)[C@H](C)CC 379408583 346519891 /nfs/dbraw/zinc/51/98/91/346519891.db2.gz BDFOBYCVUIZUQJ-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CC(C)NC(=O)[C@@H](C(C)C)N(C)C 379410582 346520773 /nfs/dbraw/zinc/52/07/73/346520773.db2.gz GIQYCTJYZROFFU-SECBINFHSA-N 0 3 186.299 1.097 20 0 ADADHN CC[C@H](C(=O)OC)N1CC[C@H](C)C1 379415001 346522055 /nfs/dbraw/zinc/52/20/55/346522055.db2.gz PENNJZNNEQBXST-DTWKUNHWSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@H](C(=O)OC)N1CC[C@@H](C)C1 379415003 346522279 /nfs/dbraw/zinc/52/22/79/346522279.db2.gz PENNJZNNEQBXST-RKDXNWHRSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@@H](C(=O)OC)N1CC[C@@H](C)C1 379415000 346522505 /nfs/dbraw/zinc/52/25/05/346522505.db2.gz PENNJZNNEQBXST-BDAKNGLRSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@@H](C(=O)OC)N1CC[C@H](C)C1 379415002 346522513 /nfs/dbraw/zinc/52/25/13/346522513.db2.gz PENNJZNNEQBXST-IUCAKERBSA-N 0 3 185.267 1.280 20 0 ADADHN COC[C@@H](C)CNCc1cc(C)n[nH]1 379567781 346525111 /nfs/dbraw/zinc/52/51/11/346525111.db2.gz DWSWLOBFUMNNTQ-QMMMGPOBSA-N 0 3 197.282 1.090 20 0 ADADHN CCOCCCCNCc1ncc[nH]1 379612809 346527437 /nfs/dbraw/zinc/52/74/37/346527437.db2.gz WBPPTLGSTRJUDZ-UHFFFAOYSA-N 0 3 197.282 1.316 20 0 ADADHN CCOC(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C 380590522 346529703 /nfs/dbraw/zinc/52/97/03/346529703.db2.gz ORTLRWUJTSMFEE-GUBZILKMSA-N 0 3 199.294 1.668 20 0 ADADHN CCOC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C 380590521 346529740 /nfs/dbraw/zinc/52/97/40/346529740.db2.gz ORTLRWUJTSMFEE-BBBLOLIVSA-N 0 3 199.294 1.668 20 0 ADADHN CCOC(=O)[C@H](C)N1CC[C@H](C)[C@H]1C 380590520 346529949 /nfs/dbraw/zinc/52/99/49/346529949.db2.gz ORTLRWUJTSMFEE-AEJSXWLSSA-N 0 3 199.294 1.668 20 0 ADADHN CCOC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C 380590523 346530161 /nfs/dbraw/zinc/53/01/61/346530161.db2.gz ORTLRWUJTSMFEE-UTLUCORTSA-N 0 3 199.294 1.668 20 0 ADADHN CCCN(C)Cc1cnc(C)nc1 381859638 346530896 /nfs/dbraw/zinc/53/08/96/346530896.db2.gz PNPBNGBQBYBAQI-UHFFFAOYSA-N 0 3 179.267 1.627 20 0 ADADHN COC[C@@H](C)N[C@@H]1CCCC[C@H]1F 382295120 346533986 /nfs/dbraw/zinc/53/39/86/346533986.db2.gz LYNXIMKNGOQIOF-OPRDCNLKSA-N 0 3 189.274 1.892 20 0 ADADHN COC[C@H](C)N[C@@H]1CCCC[C@H]1F 382295115 346534203 /nfs/dbraw/zinc/53/42/03/346534203.db2.gz LYNXIMKNGOQIOF-IVZWLZJFSA-N 0 3 189.274 1.892 20 0 ADADHN CCOC(=O)CCN1CCC=C(C)C1 382485197 346534533 /nfs/dbraw/zinc/53/45/33/346534533.db2.gz TYYPIPUGSOMPKT-UHFFFAOYSA-N 0 3 197.278 1.592 20 0 ADADHN COC(=O)CCCN1CCC=C(C)C1 382481504 346535000 /nfs/dbraw/zinc/53/50/00/346535000.db2.gz PFBWTQFZGQVMTH-UHFFFAOYSA-N 0 3 197.278 1.592 20 0 ADADHN COC(=O)CCN1CCC(C)=C(C)C1 382499149 346535367 /nfs/dbraw/zinc/53/53/67/346535367.db2.gz NQSZZIAVEULQGL-UHFFFAOYSA-N 0 3 197.278 1.592 20 0 ADADHN CCOC(=O)CCN1CC=C(C)CC1 382499959 346535892 /nfs/dbraw/zinc/53/58/92/346535892.db2.gz OPJRNEHHSKNAFL-UHFFFAOYSA-N 0 3 197.278 1.592 20 0 ADADHN CCOC(=O)CN1CC[C@@H](C)[C@H]1CC 383800217 346536347 /nfs/dbraw/zinc/53/63/47/346536347.db2.gz YVPMMSZYWBHWSK-NXEZZACHSA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)CN1CC[C@H](C)[C@H]1CC 383800219 346536387 /nfs/dbraw/zinc/53/63/87/346536387.db2.gz YVPMMSZYWBHWSK-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)CN1CC[C@H](C)[C@@H]1CC 383800218 346536400 /nfs/dbraw/zinc/53/64/00/346536400.db2.gz YVPMMSZYWBHWSK-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)CN1CC[C@@H](C)[C@@H]1CC 383800220 346537642 /nfs/dbraw/zinc/53/76/42/346537642.db2.gz YVPMMSZYWBHWSK-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN COCCN(C)CC=C(C)C 388086679 346546080 /nfs/dbraw/zinc/54/60/80/346546080.db2.gz LBDWNUXZBFBOBR-UHFFFAOYSA-N 0 3 157.257 1.531 20 0 ADADHN COC(=O)C(C)(C)CCNCCF 388202075 346547888 /nfs/dbraw/zinc/54/78/88/346547888.db2.gz BHCGSRRQRPHYNR-UHFFFAOYSA-N 0 3 191.246 1.135 20 0 ADADHN CCC(CC)N(CC(N)=O)C1CC1 388307864 346549825 /nfs/dbraw/zinc/54/98/25/346549825.db2.gz QGYYEFSTRHDZTE-UHFFFAOYSA-N 0 3 184.283 1.125 20 0 ADADHN CCNC(=O)CN(C)C[C@@H](C)CC 388298117 346549849 /nfs/dbraw/zinc/54/98/49/346549849.db2.gz MGPAOWOTFVLAQW-VIFPVBQESA-N 0 3 186.299 1.100 20 0 ADADHN CS[C@@H](C)CNCc1n[nH]cc1C 388330593 346550439 /nfs/dbraw/zinc/55/04/39/346550439.db2.gz FADWMHFSPVOBCO-QMMMGPOBSA-N 0 3 199.323 1.559 20 0 ADADHN CS[C@H](C)CNCc1n[nH]cc1C 388330592 346550459 /nfs/dbraw/zinc/55/04/59/346550459.db2.gz FADWMHFSPVOBCO-MRVPVSSYSA-N 0 3 199.323 1.559 20 0 ADADHN CN(C)CCSC[C@H]1CCOC1 388450562 346555019 /nfs/dbraw/zinc/55/50/19/346555019.db2.gz YDZJFIUQCTWGRT-VIFPVBQESA-N 0 3 189.324 1.318 20 0 ADADHN CN(C)CCSC[C@@H]1CCOC1 388450561 346555215 /nfs/dbraw/zinc/55/52/15/346555215.db2.gz YDZJFIUQCTWGRT-SECBINFHSA-N 0 3 189.324 1.318 20 0 ADADHN C[C@@H](O)CCCSCCN(C)C 388493830 346557163 /nfs/dbraw/zinc/55/71/63/346557163.db2.gz IUGCACSQSKBWRB-SECBINFHSA-N 0 3 191.340 1.442 20 0 ADADHN C[C@H](O)CCCSCCN(C)C 388494145 346557214 /nfs/dbraw/zinc/55/72/14/346557214.db2.gz IUGCACSQSKBWRB-VIFPVBQESA-N 0 3 191.340 1.442 20 0 ADADHN CN(C)CCS[C@@H]1CCCOC1 388507587 346558109 /nfs/dbraw/zinc/55/81/09/346558109.db2.gz POPSGBINDARBJK-SECBINFHSA-N 0 3 189.324 1.460 20 0 ADADHN CCSCCN(C)C1(CO)CC1 388512491 346558217 /nfs/dbraw/zinc/55/82/17/346558217.db2.gz RWWPCVLYQRXCPB-UHFFFAOYSA-N 0 3 189.324 1.196 20 0 ADADHN CN(C)CCS[C@H]1CCCOC1 388507594 346558259 /nfs/dbraw/zinc/55/82/59/346558259.db2.gz POPSGBINDARBJK-VIFPVBQESA-N 0 3 189.324 1.460 20 0 ADADHN CN(C)CCSCc1ccno1 388507749 346558409 /nfs/dbraw/zinc/55/84/09/346558409.db2.gz PQLSNTHPXAVSPW-UHFFFAOYSA-N 0 3 186.280 1.469 20 0 ADADHN CC[C@@H]1[C@@H](C)CCN1CC(=O)OC 388605841 346560538 /nfs/dbraw/zinc/56/05/38/346560538.db2.gz VFBJTHHYSJSIAU-DTWKUNHWSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@H]1[C@H](C)CCN1CC(=O)OC 388605839 346560588 /nfs/dbraw/zinc/56/05/88/346560588.db2.gz VFBJTHHYSJSIAU-BDAKNGLRSA-N 0 3 185.267 1.280 20 0 ADADHN CCCNC(=O)CN(CC)CCC 388602693 346560798 /nfs/dbraw/zinc/56/07/98/346560798.db2.gz SVAMJKHWYHKHRL-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CC[C@@H]1[C@H](C)CCN1CC(=O)OC 388605847 346560844 /nfs/dbraw/zinc/56/08/44/346560844.db2.gz VFBJTHHYSJSIAU-RKDXNWHRSA-N 0 3 185.267 1.280 20 0 ADADHN CC[C@H]1[C@@H](C)CCN1CC(=O)OC 388605846 346560908 /nfs/dbraw/zinc/56/09/08/346560908.db2.gz VFBJTHHYSJSIAU-IUCAKERBSA-N 0 3 185.267 1.280 20 0 ADADHN CSC[C@@H](C)N[C@@H](C)c1cn[nH]c1 388654783 346562820 /nfs/dbraw/zinc/56/28/20/346562820.db2.gz SXJWYKWDZSCBLH-SFYZADRCSA-N 0 3 199.323 1.812 20 0 ADADHN CSC[C@H](C)N[C@H](C)c1cn[nH]c1 388654782 346563010 /nfs/dbraw/zinc/56/30/10/346563010.db2.gz SXJWYKWDZSCBLH-JGVFFNPUSA-N 0 3 199.323 1.812 20 0 ADADHN CSC[C@@H](C)N[C@H](C)c1cn[nH]c1 388654779 346563088 /nfs/dbraw/zinc/56/30/88/346563088.db2.gz SXJWYKWDZSCBLH-HTQZYQBOSA-N 0 3 199.323 1.812 20 0 ADADHN CSC[C@H](C)N[C@@H](C)c1cn[nH]c1 388654788 346563113 /nfs/dbraw/zinc/56/31/13/346563113.db2.gz SXJWYKWDZSCBLH-YUMQZZPRSA-N 0 3 199.323 1.812 20 0 ADADHN CCCCOCCN(C)CCOC 388689143 346563584 /nfs/dbraw/zinc/56/35/84/346563584.db2.gz KKYJMLDBQFAMNC-UHFFFAOYSA-N 0 3 189.299 1.381 20 0 ADADHN CN(C)CCSCc1ccncc1 388678799 346563668 /nfs/dbraw/zinc/56/36/68/346563668.db2.gz ZTIUPOLBEFFRJQ-UHFFFAOYSA-N 0 3 196.319 1.876 20 0 ADADHN CC(C)C(C)(C)NCc1cc[nH]n1 388846344 346568217 /nfs/dbraw/zinc/56/82/17/346568217.db2.gz ZMFXRZRNGAXDRW-UHFFFAOYSA-N 0 3 181.283 1.934 20 0 ADADHN COCC[C@@H](C)NCc1cc(C)n[nH]1 389207956 346570618 /nfs/dbraw/zinc/57/06/18/346570618.db2.gz HKDQWPBOVQIESA-MRVPVSSYSA-N 0 3 197.282 1.233 20 0 ADADHN COCC[C@H](C)NCc1cc(C)n[nH]1 389207959 346570642 /nfs/dbraw/zinc/57/06/42/346570642.db2.gz HKDQWPBOVQIESA-QMMMGPOBSA-N 0 3 197.282 1.233 20 0 ADADHN CC(C)C(C)(C)NCc1ccn(C)n1 389271628 346571673 /nfs/dbraw/zinc/57/16/73/346571673.db2.gz LYFZMNGOXZQIKE-UHFFFAOYSA-N 0 3 195.310 1.944 20 0 ADADHN CCCN1CC[C@H](NC(=O)C(C)C)C1 389333090 346572082 /nfs/dbraw/zinc/57/20/82/346572082.db2.gz IADOTUFDRCMLPF-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCCN1CC[C@@H](NC(=O)C(C)C)C1 389333092 346572190 /nfs/dbraw/zinc/57/21/90/346572190.db2.gz IADOTUFDRCMLPF-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCCC(=O)N[C@H]1CCN(CCC)C1 389402020 346573534 /nfs/dbraw/zinc/57/35/34/346573534.db2.gz PVMIDASPLZSVPW-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@@H](O)CNCc1ccnc(C)c1 391172613 346573859 /nfs/dbraw/zinc/57/38/59/346573859.db2.gz LUSNGDUXCQHYPT-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN COC[C@@H](C)NCc1ccnc(C)c1 391185233 346574045 /nfs/dbraw/zinc/57/40/45/346574045.db2.gz VVOXVPLJPIQLNX-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN Cc1nnsc1CNCCC1CC1 393714117 346581882 /nfs/dbraw/zinc/58/18/82/346581882.db2.gz GZGRRGUBQRHDKZ-UHFFFAOYSA-N 0 3 197.307 1.736 20 0 ADADHN CCN(CCOC)C[C@H]1CCCO1 393916412 346583848 /nfs/dbraw/zinc/58/38/48/346583848.db2.gz JKHZZPNPSVHGTN-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CSCCN[C@H](C)c1ccncn1 395899594 346587302 /nfs/dbraw/zinc/58/73/02/346587302.db2.gz OACWBVKXSPLZLS-MRVPVSSYSA-N 0 3 197.307 1.490 20 0 ADADHN CSCCN[C@@H](C)c1ccncn1 395899595 346587693 /nfs/dbraw/zinc/58/76/93/346587693.db2.gz OACWBVKXSPLZLS-QMMMGPOBSA-N 0 3 197.307 1.490 20 0 ADADHN Cc1ncc(CN[C@H](C)C2CC2)o1 397938898 346594509 /nfs/dbraw/zinc/59/45/09/346594509.db2.gz XXDAASKZRVPPDE-SSDOTTSWSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1ncc(CN[C@@H](C)C2CC2)o1 397938899 346594839 /nfs/dbraw/zinc/59/48/39/346594839.db2.gz XXDAASKZRVPPDE-ZETCQYMHSA-N 0 3 180.251 1.871 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@H](N)C1CCC1 398997660 346596980 /nfs/dbraw/zinc/59/69/80/346596980.db2.gz ACASNJYCKMTGPR-SZEHBUNVSA-N 0 3 196.294 1.029 20 0 ADADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](N)C1CCC1 398997659 346597218 /nfs/dbraw/zinc/59/72/18/346597218.db2.gz ACASNJYCKMTGPR-QNSHHTMESA-N 0 3 196.294 1.029 20 0 ADADHN C[C@@H](CN(C)C(=O)CN)C(C)(C)C 399540265 346598500 /nfs/dbraw/zinc/59/85/00/346598500.db2.gz WJJZLXOLVLIKDR-QMMMGPOBSA-N 0 3 186.299 1.086 20 0 ADADHN CCOC(=O)CN1C[C@H](C)C[C@H]1CC 399547157 346598569 /nfs/dbraw/zinc/59/85/69/346598569.db2.gz SHFLUTJFEYFYST-NXEZZACHSA-N 0 3 199.294 1.670 20 0 ADADHN COc1cc(CNCC2CC2)sn1 399308764 346598581 /nfs/dbraw/zinc/59/85/81/346598581.db2.gz LHNWMORJQPNFQD-UHFFFAOYSA-N 0 3 198.291 1.651 20 0 ADADHN CCOC(=O)CN1C[C@@H](C)C[C@H]1CC 399547162 346598591 /nfs/dbraw/zinc/59/85/91/346598591.db2.gz SHFLUTJFEYFYST-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN CCOC(=O)CN1C[C@H](C)C[C@@H]1CC 399547164 346598739 /nfs/dbraw/zinc/59/87/39/346598739.db2.gz SHFLUTJFEYFYST-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN C[C@H](CN(C)C(=O)CN)C(C)(C)C 399540264 346598896 /nfs/dbraw/zinc/59/88/96/346598896.db2.gz WJJZLXOLVLIKDR-MRVPVSSYSA-N 0 3 186.299 1.086 20 0 ADADHN CCOC(=O)CN1C[C@@H](C)C[C@@H]1CC 399547160 346598969 /nfs/dbraw/zinc/59/89/69/346598969.db2.gz SHFLUTJFEYFYST-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN C[C@@H]1C[C@H](NC/C=C/Cl)CO1 402347786 346628780 /nfs/dbraw/zinc/62/87/80/346628780.db2.gz RMCGCRFCXYEWGK-TZIBCRCASA-N 0 3 175.659 1.506 20 0 ADADHN C[C@@H]1C[C@@H](NC/C=C/Cl)CO1 402347787 346628921 /nfs/dbraw/zinc/62/89/21/346628921.db2.gz RMCGCRFCXYEWGK-YEMZYZDBSA-N 0 3 175.659 1.506 20 0 ADADHN CCO[C@]1(C(F)(F)F)CCCNC1 409430936 346690877 /nfs/dbraw/zinc/69/08/77/346690877.db2.gz XKWWSABABSQVRW-SSDOTTSWSA-N 0 3 197.200 1.707 20 0 ADADHN CCO[C@@]1(C(F)(F)F)CCCNC1 409430937 346690946 /nfs/dbraw/zinc/69/09/46/346690946.db2.gz XKWWSABABSQVRW-ZETCQYMHSA-N 0 3 197.200 1.707 20 0 ADADHN CC1CCC(N)(c2ncc[nH]2)CC1 521401706 346710603 /nfs/dbraw/zinc/71/06/03/346710603.db2.gz NDNQHFRCVUQFEI-UHFFFAOYSA-N 0 3 179.267 1.774 20 0 ADADHN C[C@H]1CC[C@](N)(c2ncc[nH]2)CS1 521401692 346710630 /nfs/dbraw/zinc/71/06/30/346710630.db2.gz MTDUXESIUZEWIA-IONNQARKSA-N 0 3 197.307 1.479 20 0 ADADHN C[C@H]1CC[C@@](N)(c2ncc[nH]2)CS1 521401691 346710644 /nfs/dbraw/zinc/71/06/44/346710644.db2.gz MTDUXESIUZEWIA-CBAPKCEASA-N 0 3 197.307 1.479 20 0 ADADHN C[C@@H]1CC[C@](N)(c2ncc[nH]2)CS1 521401693 346710651 /nfs/dbraw/zinc/71/06/51/346710651.db2.gz MTDUXESIUZEWIA-VXNVDRBHSA-N 0 3 197.307 1.479 20 0 ADADHN C[C@@H]1CC[C@@](N)(c2ncc[nH]2)CS1 521401690 346710679 /nfs/dbraw/zinc/71/06/79/346710679.db2.gz MTDUXESIUZEWIA-APPZFPTMSA-N 0 3 197.307 1.479 20 0 ADADHN CC1(C)CNC[C@@H](CCF)O1 536956072 346712411 /nfs/dbraw/zinc/71/24/11/346712411.db2.gz UIXAOOQOFXCBMU-SSDOTTSWSA-N 0 3 161.220 1.113 20 0 ADADHN Cc1cccc2c1C(=O)N(C)[C@@H]2CN 536956160 346712463 /nfs/dbraw/zinc/71/24/63/346712463.db2.gz VZXQIKGCTXVOGU-SECBINFHSA-N 0 3 190.246 1.080 20 0 ADADHN Cc1cccc2c1C(=O)N(C)[C@H]2CN 536956168 346712474 /nfs/dbraw/zinc/71/24/74/346712474.db2.gz VZXQIKGCTXVOGU-VIFPVBQESA-N 0 3 190.246 1.080 20 0 ADADHN CC[C@H](C)n1[nH]c(=O)c2c1CNCC2 536956060 346712483 /nfs/dbraw/zinc/71/24/83/346712483.db2.gz XAQWSSIWJRLEOH-ZETCQYMHSA-N 0 3 195.266 1.205 20 0 ADADHN CC1(C)CNC[C@H](CCF)O1 536956076 346712542 /nfs/dbraw/zinc/71/25/42/346712542.db2.gz UIXAOOQOFXCBMU-ZETCQYMHSA-N 0 3 161.220 1.113 20 0 ADADHN CC[C@@H](C)n1[nH]c(=O)c2c1CNCC2 536956055 346712547 /nfs/dbraw/zinc/71/25/47/346712547.db2.gz XAQWSSIWJRLEOH-SSDOTTSWSA-N 0 3 195.266 1.205 20 0 ADADHN NCc1cscc1Cl 584880073 346747111 /nfs/dbraw/zinc/74/71/11/346747111.db2.gz GGVGCNCFKOEFDZ-UHFFFAOYSA-N 0 3 147.630 1.860 20 0 ADADHN CCn1cnc2c1CCC[C@H]2N 584880862 346747594 /nfs/dbraw/zinc/74/75/94/346747594.db2.gz OWEWDWFFHOHTMF-SSDOTTSWSA-N 0 3 165.240 1.239 20 0 ADADHN CCN[C@@H]1CCCc2c1ncn2C 584880917 346747622 /nfs/dbraw/zinc/74/76/22/346747622.db2.gz SPCRGOFYBMVZOP-MRVPVSSYSA-N 0 3 179.267 1.407 20 0 ADADHN Cc1ccn([C@@H]2CCCCN2)n1 584880923 346747632 /nfs/dbraw/zinc/74/76/32/346747632.db2.gz JUOANMIOWVXMDN-SECBINFHSA-N 0 3 165.240 1.464 20 0 ADADHN Cc1ccn([C@H]2CCCCN2)n1 584880924 346747721 /nfs/dbraw/zinc/74/77/21/346747721.db2.gz JUOANMIOWVXMDN-VIFPVBQESA-N 0 3 165.240 1.464 20 0 ADADHN CCN[C@H]1CCCc2c1ncn2C 584880918 346747754 /nfs/dbraw/zinc/74/77/54/346747754.db2.gz SPCRGOFYBMVZOP-QMMMGPOBSA-N 0 3 179.267 1.407 20 0 ADADHN CCn1cnc2c1CCC[C@@H]2N 584880864 346747879 /nfs/dbraw/zinc/74/78/79/346747879.db2.gz OWEWDWFFHOHTMF-ZETCQYMHSA-N 0 3 165.240 1.239 20 0 ADADHN Cc1cc(C)n([C@@H]2CCCCN2)n1 584881032 346748297 /nfs/dbraw/zinc/74/82/97/346748297.db2.gz LVLUSMFWUPAERI-SNVBAGLBSA-N 0 3 179.267 1.772 20 0 ADADHN Cc1cnn([C@@H]2CCCCN2)c1 584880943 346748364 /nfs/dbraw/zinc/74/83/64/346748364.db2.gz KLARCPPKAQDORV-SECBINFHSA-N 0 3 165.240 1.464 20 0 ADADHN Cc1cc(C)n([C@H]2CCCCN2)n1 584881029 346748477 /nfs/dbraw/zinc/74/84/77/346748477.db2.gz LVLUSMFWUPAERI-JTQLQIEISA-N 0 3 179.267 1.772 20 0 ADADHN Cc1cnn([C@H]2CCCCN2)c1 584880944 346748492 /nfs/dbraw/zinc/74/84/92/346748492.db2.gz KLARCPPKAQDORV-VIFPVBQESA-N 0 3 165.240 1.464 20 0 ADADHN CC(C)c1cc2n(n1)CCC[C@@H]2N 584882958 346750337 /nfs/dbraw/zinc/75/03/37/346750337.db2.gz BVFQXZXNSYLISM-QMMMGPOBSA-N 0 3 179.267 1.800 20 0 ADADHN CC(C)c1cc2n(n1)CCC[C@H]2N 584882957 346750415 /nfs/dbraw/zinc/75/04/15/346750415.db2.gz BVFQXZXNSYLISM-MRVPVSSYSA-N 0 3 179.267 1.800 20 0 ADADHN N[C@H]1CCCn2nc(C(F)F)cc21 584883158 346751009 /nfs/dbraw/zinc/75/10/09/346751009.db2.gz IHRTVZZOXHCEPZ-YFKPBYRVSA-N 0 3 187.193 1.614 20 0 ADADHN N[C@@H]1CCCn2nc(C(F)F)cc21 584883156 346751153 /nfs/dbraw/zinc/75/11/53/346751153.db2.gz IHRTVZZOXHCEPZ-RXMQYKEDSA-N 0 3 187.193 1.614 20 0 ADADHN CCc1cc2n(n1)CCC[C@@H]2N 584883636 346751562 /nfs/dbraw/zinc/75/15/62/346751562.db2.gz XRGMUOVVAFRNDS-QMMMGPOBSA-N 0 3 165.240 1.239 20 0 ADADHN CCc1cc2n(n1)CCC[C@H]2N 584883635 346751674 /nfs/dbraw/zinc/75/16/74/346751674.db2.gz XRGMUOVVAFRNDS-MRVPVSSYSA-N 0 3 165.240 1.239 20 0 ADADHN CC(C)c1ccc(C(=N)NO)cn1 585672562 346760834 /nfs/dbraw/zinc/76/08/34/346760834.db2.gz OOKNGVGNPMNRCR-UHFFFAOYSA-N 0 3 179.223 1.509 20 0 ADADHN COc1nc(C(=N)N)ccc1Cl 585672609 346760868 /nfs/dbraw/zinc/76/08/68/346760868.db2.gz YUDWVQZYWJZQSK-UHFFFAOYSA-N 0 3 185.614 1.028 20 0 ADADHN CCN(CC)CC(=O)N1CC[C@@H](C)C1 585706060 346761458 /nfs/dbraw/zinc/76/14/58/346761458.db2.gz CEYLZSITGSKWSU-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN CCN(CC)CC(=O)N1CC[C@H](C)C1 585706057 346761535 /nfs/dbraw/zinc/76/15/35/346761535.db2.gz CEYLZSITGSKWSU-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 585754974 346762004 /nfs/dbraw/zinc/76/20/04/346762004.db2.gz BLSBMDCRPYBUQX-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 585754972 346762044 /nfs/dbraw/zinc/76/20/44/346762044.db2.gz BLSBMDCRPYBUQX-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)C(=O)CN1CC[C@H](C)C1 585754998 346762148 /nfs/dbraw/zinc/76/21/48/346762148.db2.gz KLACSIAQYSTYJF-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CCN(CC)C(=O)CN1CC[C@@H](C)C1 585754999 346762239 /nfs/dbraw/zinc/76/22/39/346762239.db2.gz KLACSIAQYSTYJF-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 585754971 346762405 /nfs/dbraw/zinc/76/24/05/346762405.db2.gz BLSBMDCRPYBUQX-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CCSCCN(C)C[C@H](C)OC 586786994 346763635 /nfs/dbraw/zinc/76/36/35/346763635.db2.gz JZPZPAKHNOICMT-VIFPVBQESA-N 0 3 191.340 1.706 20 0 ADADHN CCSCCN(C)C[C@@H](C)OC 586786993 346763832 /nfs/dbraw/zinc/76/38/32/346763832.db2.gz JZPZPAKHNOICMT-SECBINFHSA-N 0 3 191.340 1.706 20 0 ADADHN CCCN(C)CCn1ccccc1=O 586830792 346763981 /nfs/dbraw/zinc/76/39/81/346763981.db2.gz UMJYFBCKISBFCM-UHFFFAOYSA-N 0 3 194.278 1.190 20 0 ADADHN CCC(CC)N(CC(=O)NC)C1CC1 588010414 346764494 /nfs/dbraw/zinc/76/44/94/346764494.db2.gz UAOPIGUICWMHBD-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CCCN(CC(=O)NC1CC1)C1CC1 588673724 346766566 /nfs/dbraw/zinc/76/65/66/346766566.db2.gz YWFVVJWRVYBMSV-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CN(Cc1cnn(C)c1)CC(C)(C)C 588900979 346767188 /nfs/dbraw/zinc/76/71/88/346767188.db2.gz BMHOIBFHFRXIBH-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CCCCN(C)[C@@H](C)C(=O)NC1CC1 588771151 346767522 /nfs/dbraw/zinc/76/75/22/346767522.db2.gz JYYODZBMKGZOAF-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CCCCN(C)[C@H](C)C(=O)NC1CC1 588771150 346767724 /nfs/dbraw/zinc/76/77/24/346767724.db2.gz JYYODZBMKGZOAF-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CN(CC(=O)N1CCC1)CC(C)(C)C 588902619 346768555 /nfs/dbraw/zinc/76/85/55/346768555.db2.gz XBMJKWVGWJJPGL-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CN(CC(=O)NC1CC1)CC(C)(C)C 588902286 346768903 /nfs/dbraw/zinc/76/89/03/346768903.db2.gz HKIABKDIUKMMLB-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCOCCN1CCCO[C@@H](C)C1 589707641 346771612 /nfs/dbraw/zinc/77/16/12/346771612.db2.gz MJRVVYQXUQEWEH-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CCOCCN1CCCO[C@H](C)C1 589707642 346771714 /nfs/dbraw/zinc/77/17/14/346771714.db2.gz MJRVVYQXUQEWEH-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CCN(CCSC)[C@H]1CCOC1 589747919 346772693 /nfs/dbraw/zinc/77/26/93/346772693.db2.gz QQMNBZXZDWINFD-VIFPVBQESA-N 0 3 189.324 1.460 20 0 ADADHN CCN(CCSC)[C@@H]1CCOC1 589747918 346772801 /nfs/dbraw/zinc/77/28/01/346772801.db2.gz QQMNBZXZDWINFD-SECBINFHSA-N 0 3 189.324 1.460 20 0 ADADHN CC[C@H]1CCCN1CC(=O)N(C)CC 590062639 346776278 /nfs/dbraw/zinc/77/62/78/346776278.db2.gz YEFYBPBFDXNRHG-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@H]1CCCN1CC(=O)NC(C)C 590062403 346776058 /nfs/dbraw/zinc/77/60/58/346776058.db2.gz YSNWRUNTMXVKBI-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H]1CCCN1CC(=O)NC(C)C 590062404 346776066 /nfs/dbraw/zinc/77/60/66/346776066.db2.gz YSNWRUNTMXVKBI-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CCCNC(=O)CN1CCC[C@@H]1CC 590062011 346776178 /nfs/dbraw/zinc/77/61/78/346776178.db2.gz NQKWEDNIJSSGDX-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@@H]1CCCN1CC(=O)NC1CC1 590062426 346776190 /nfs/dbraw/zinc/77/61/90/346776190.db2.gz ZUFFKFSKNQVJFV-SNVBAGLBSA-N 0 3 196.294 1.139 20 0 ADADHN CC[C@H]1CCCN1CC(=O)NC1CC1 590062424 346776259 /nfs/dbraw/zinc/77/62/59/346776259.db2.gz ZUFFKFSKNQVJFV-JTQLQIEISA-N 0 3 196.294 1.139 20 0 ADADHN CC[C@@H]1CCCN1CC(=O)N(C)CC 590062640 346776352 /nfs/dbraw/zinc/77/63/52/346776352.db2.gz YEFYBPBFDXNRHG-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCCNC(=O)CN1CCC[C@H]1CC 590062013 346776498 /nfs/dbraw/zinc/77/64/98/346776498.db2.gz NQKWEDNIJSSGDX-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CSCCN1CCc2nc[nH]c2C1 590598874 346783715 /nfs/dbraw/zinc/78/37/15/346783715.db2.gz COPUAXOASNPQLK-UHFFFAOYSA-N 0 3 197.307 1.131 20 0 ADADHN CCN(CCCCO)Cc1ccoc1 590598441 346783987 /nfs/dbraw/zinc/78/39/87/346783987.db2.gz WKIQFKNIADZPDR-UHFFFAOYSA-N 0 3 197.278 1.874 20 0 ADADHN CS[C@H]1CCN(Cc2cn[nH]c2)C1 590656545 346786280 /nfs/dbraw/zinc/78/62/80/346786280.db2.gz PJHBSFBEHIPSKL-VIFPVBQESA-N 0 3 197.307 1.347 20 0 ADADHN CS[C@@H]1CCN(Cc2cn[nH]c2)C1 590656544 346786361 /nfs/dbraw/zinc/78/63/61/346786361.db2.gz PJHBSFBEHIPSKL-SECBINFHSA-N 0 3 197.307 1.347 20 0 ADADHN CN(C)CCSCn1cccn1 590726739 346789523 /nfs/dbraw/zinc/78/95/23/346789523.db2.gz NMDBOCJZAISGNB-UHFFFAOYSA-N 0 3 185.296 1.135 20 0 ADADHN CN(C)CCSCc1cc[nH]n1 590726774 346790144 /nfs/dbraw/zinc/79/01/44/346790144.db2.gz UYKUSJKDGFPCGK-UHFFFAOYSA-N 0 3 185.296 1.205 20 0 ADADHN CCOC(=O)CN1[C@H](C)CCC1(C)C 590764404 346793678 /nfs/dbraw/zinc/79/36/78/346793678.db2.gz CLMFYBNFYKPSBB-SECBINFHSA-N 0 3 199.294 1.812 20 0 ADADHN CCOC(=O)CN1[C@@H](C)CCC1(C)C 590764405 346793764 /nfs/dbraw/zinc/79/37/64/346793764.db2.gz CLMFYBNFYKPSBB-VIFPVBQESA-N 0 3 199.294 1.812 20 0 ADADHN OCCCN1CCC[C@H]1c1ccc[nH]1 590925852 346797177 /nfs/dbraw/zinc/79/71/77/346797177.db2.gz VDHUFPNZBWUMHV-NSHDSACASA-N 0 3 194.278 1.534 20 0 ADADHN OCCCN1CCC[C@@H]1c1ccc[nH]1 590925851 346797195 /nfs/dbraw/zinc/79/71/95/346797195.db2.gz VDHUFPNZBWUMHV-LLVKDONJSA-N 0 3 194.278 1.534 20 0 ADADHN CCCN(CC(=O)N1CCC1)C1CC1 590943330 346797577 /nfs/dbraw/zinc/79/75/77/346797577.db2.gz HGRNOXMCFGBGMS-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CCCN(Cc1cnn(C)c1)C1CC1 590943301 346797640 /nfs/dbraw/zinc/79/76/40/346797640.db2.gz SKMYZDHOCGLFIY-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN CCCNC(=O)CN(CCC)C1CC1 590943204 346797683 /nfs/dbraw/zinc/79/76/83/346797683.db2.gz MNKPYDWLNSUDON-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCCN(CC(=O)NC(C)C)C1CC1 590943210 346797875 /nfs/dbraw/zinc/79/78/75/346797875.db2.gz RKSJLCQUKBTHFU-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CCCN(CC(=O)N(C)CC)C1CC1 590943342 346797954 /nfs/dbraw/zinc/79/79/54/346797954.db2.gz XASBUEAEQQDRJN-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCNC(=O)[C@H]1CCCCN1CC 591092293 346803463 /nfs/dbraw/zinc/80/34/63/346803463.db2.gz XPOZDMIKIJASLF-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCNC(=O)[C@@H]1CCCCN1CC 591092292 346803912 /nfs/dbraw/zinc/80/39/12/346803912.db2.gz XPOZDMIKIJASLF-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCC[C@@H](O)CSCCN(C)C 591128180 346804387 /nfs/dbraw/zinc/80/43/87/346804387.db2.gz JYCHEYQOFYKYJB-SECBINFHSA-N 0 3 191.340 1.442 20 0 ADADHN CCC[C@H](O)CSCCN(C)C 591128183 346804671 /nfs/dbraw/zinc/80/46/71/346804671.db2.gz JYCHEYQOFYKYJB-VIFPVBQESA-N 0 3 191.340 1.442 20 0 ADADHN CC[C@@H](CSCCN(C)C)OC 591338625 346811045 /nfs/dbraw/zinc/81/10/45/346811045.db2.gz OKJLULLBVWKAGR-VIFPVBQESA-N 0 3 191.340 1.706 20 0 ADADHN CC[C@H](CSCCN(C)C)OC 591338624 346811077 /nfs/dbraw/zinc/81/10/77/346811077.db2.gz OKJLULLBVWKAGR-SECBINFHSA-N 0 3 191.340 1.706 20 0 ADADHN CC[C@@H](C)N(C)Cc1cnn(C)c1 591376376 346812127 /nfs/dbraw/zinc/81/21/27/346812127.db2.gz COYKUHGPKCPFEC-SECBINFHSA-N 0 3 181.283 1.650 20 0 ADADHN CCCCN1CCCC[C@@H]1C(=O)NC 591373611 346812420 /nfs/dbraw/zinc/81/24/20/346812420.db2.gz SJUAKZRTWZEUMD-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H](C)N(C)Cc1cnn(C)c1 591376377 346812481 /nfs/dbraw/zinc/81/24/81/346812481.db2.gz COYKUHGPKCPFEC-VIFPVBQESA-N 0 3 181.283 1.650 20 0 ADADHN CCCCN1CCCC[C@H]1C(=O)NC 591373610 346812618 /nfs/dbraw/zinc/81/26/18/346812618.db2.gz SJUAKZRTWZEUMD-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@@H](C)N(C)CC(=O)NCC1CC1 591377300 346813313 /nfs/dbraw/zinc/81/33/13/346813313.db2.gz YHLNUKAIXWJXIS-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C)N(C)CC(=O)NCC1CC1 591377301 346813423 /nfs/dbraw/zinc/81/34/23/346813423.db2.gz YHLNUKAIXWJXIS-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)[C@H](C)N(CC(N)=O)C1CC1 591475635 346816555 /nfs/dbraw/zinc/81/65/55/346816555.db2.gz RYSAUVKYNWAQTJ-BDAKNGLRSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](C)[C@@H](C)N(CC(N)=O)C1CC1 591475636 346816571 /nfs/dbraw/zinc/81/65/71/346816571.db2.gz RYSAUVKYNWAQTJ-DTWKUNHWSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](C)[C@H](C)N(CC(N)=O)C1CC1 591475637 346816591 /nfs/dbraw/zinc/81/65/91/346816591.db2.gz RYSAUVKYNWAQTJ-IUCAKERBSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](C)[C@@H](C)N(CC(N)=O)C1CC1 591475638 346816608 /nfs/dbraw/zinc/81/66/08/346816608.db2.gz RYSAUVKYNWAQTJ-RKDXNWHRSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)CN(C)[C@@H]1CCCCNC1=O 591809846 346823338 /nfs/dbraw/zinc/82/33/38/346823338.db2.gz VKZHOMMAVVURCE-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)CN(C)[C@H]1CCCCNC1=O 591809845 346823427 /nfs/dbraw/zinc/82/34/27/346823427.db2.gz VKZHOMMAVVURCE-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)CN1CC(C)(C(=O)OC)C1 591839601 346825612 /nfs/dbraw/zinc/82/56/12/346825612.db2.gz QFNGCGBBLSFSLK-SECBINFHSA-N 0 3 199.294 1.527 20 0 ADADHN COC(=O)C1(C)CN(CC2(C)CC2)C1 591839610 346825770 /nfs/dbraw/zinc/82/57/70/346825770.db2.gz SQNPYMRBLIQJOS-UHFFFAOYSA-N 0 3 197.278 1.281 20 0 ADADHN COC(=O)C1(C)CN(CC(C)C)C1 591839587 346825805 /nfs/dbraw/zinc/82/58/05/346825805.db2.gz DQQRREPPVXHVKC-UHFFFAOYSA-N 0 3 185.267 1.137 20 0 ADADHN CC[C@H](C)CN1CC(C)(C(=O)OC)C1 591839602 346825824 /nfs/dbraw/zinc/82/58/24/346825824.db2.gz QFNGCGBBLSFSLK-VIFPVBQESA-N 0 3 199.294 1.527 20 0 ADADHN COC(=O)C1(C)CN(C[C@@H]2C[C@H]2C)C1 591839604 346825863 /nfs/dbraw/zinc/82/58/63/346825863.db2.gz SCQCANREQMGPEX-BDAKNGLRSA-N 0 3 197.278 1.137 20 0 ADADHN COC(=O)C1(C)CN(C[C@@H]2C[C@@H]2C)C1 591839606 346825866 /nfs/dbraw/zinc/82/58/66/346825866.db2.gz SCQCANREQMGPEX-IUCAKERBSA-N 0 3 197.278 1.137 20 0 ADADHN COC(=O)C1(C)CN(C[C@H]2C[C@H]2C)C1 591839607 346825870 /nfs/dbraw/zinc/82/58/70/346825870.db2.gz SCQCANREQMGPEX-RKDXNWHRSA-N 0 3 197.278 1.137 20 0 ADADHN CCN(CCSC)Cc1cnc[nH]1 592204633 346829115 /nfs/dbraw/zinc/82/91/15/346829115.db2.gz UULVOPJEFCQFOY-UHFFFAOYSA-N 0 3 199.323 1.595 20 0 ADADHN CC[C@H](O)CN(CC)Cc1ccoc1 592391348 346830185 /nfs/dbraw/zinc/83/01/85/346830185.db2.gz KDLHMZLDVMMLLM-NSHDSACASA-N 0 3 197.278 1.872 20 0 ADADHN CC[C@@H](O)CN(CC)Cc1ccoc1 592391338 346830244 /nfs/dbraw/zinc/83/02/44/346830244.db2.gz KDLHMZLDVMMLLM-LLVKDONJSA-N 0 3 197.278 1.872 20 0 ADADHN CC(C)[C@@H](C(=O)NCC1CC1)N(C)C 592433509 346831161 /nfs/dbraw/zinc/83/11/61/346831161.db2.gz FYAPKNRLCJYOBW-JTQLQIEISA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)[C@H](C(=O)NCC1CC1)N(C)C 592433510 346831322 /nfs/dbraw/zinc/83/13/22/346831322.db2.gz FYAPKNRLCJYOBW-SNVBAGLBSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)[C@@H](C(=O)N(C)C1CC1)N(C)C 592452735 346831837 /nfs/dbraw/zinc/83/18/37/346831837.db2.gz VTKGHGWCEXZIIJ-JTQLQIEISA-N 0 3 198.310 1.193 20 0 ADADHN CC(C)[C@H](C(=O)N(C)C1CC1)N(C)C 592452736 346832155 /nfs/dbraw/zinc/83/21/55/346832155.db2.gz VTKGHGWCEXZIIJ-SNVBAGLBSA-N 0 3 198.310 1.193 20 0 ADADHN CCN(CCSC)Cc1cn[nH]c1 592528803 346832834 /nfs/dbraw/zinc/83/28/34/346832834.db2.gz HPJLWKCJVTUCLX-UHFFFAOYSA-N 0 3 199.323 1.595 20 0 ADADHN CCCN(C)CC(=O)N[C@H]1CC1(C)C 592854399 346833413 /nfs/dbraw/zinc/83/34/13/346833413.db2.gz ONTKHHACNPHZQB-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)OCCN(C)[C@H]1CCOC1 592818639 346833465 /nfs/dbraw/zinc/83/34/65/346833465.db2.gz YCWJMSDKYLIDKJ-JTQLQIEISA-N 0 3 187.283 1.132 20 0 ADADHN CCCN(C)CC(=O)N1CC[C@H](C)C1 592862764 346833493 /nfs/dbraw/zinc/83/34/93/346833493.db2.gz KBAHEUUICZRCOP-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CC(C)OCCN(C)[C@@H]1CCOC1 592818640 346833792 /nfs/dbraw/zinc/83/37/92/346833792.db2.gz YCWJMSDKYLIDKJ-SNVBAGLBSA-N 0 3 187.283 1.132 20 0 ADADHN CCCN(C)CC(=O)N1CC[C@@H](C)C1 592862765 346833817 /nfs/dbraw/zinc/83/38/17/346833817.db2.gz KBAHEUUICZRCOP-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN CCCN(C)CC(=O)NCC1CCC1 592831504 346834010 /nfs/dbraw/zinc/83/40/10/346834010.db2.gz LFDBXVBCDZGTBU-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN(CC)Cc1cc(OC)ccn1 592889021 346834481 /nfs/dbraw/zinc/83/44/81/346834481.db2.gz BWUDIQPXMGUHHQ-UHFFFAOYSA-N 0 3 194.278 1.932 20 0 ADADHN CC(C)[C@H](C(=O)NC1CCC1)N(C)C 593419856 346838501 /nfs/dbraw/zinc/83/85/01/346838501.db2.gz JYDAOUPEURDGCC-SNVBAGLBSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)[C@@H](C(=O)NC1CCC1)N(C)C 593419839 346838705 /nfs/dbraw/zinc/83/87/05/346838705.db2.gz JYDAOUPEURDGCC-JTQLQIEISA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)c1noc(OCCN(C)C)n1 593606733 346841360 /nfs/dbraw/zinc/84/13/60/346841360.db2.gz LSQIPJXALWSBAD-UHFFFAOYSA-N 0 3 199.254 1.133 20 0 ADADHN CNC(=O)CN(C1CCCC1)C1CC1 594203183 346846294 /nfs/dbraw/zinc/84/62/94/346846294.db2.gz PXGUTPDTPJZGNO-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN COC1CC(SCCN(C)C)C1 594889842 346852573 /nfs/dbraw/zinc/85/25/73/346852573.db2.gz JFUGVKNXAIXKQD-UHFFFAOYSA-N 0 3 189.324 1.459 20 0 ADADHN CSCCNCc1cnc(C)n1C 594916353 346855312 /nfs/dbraw/zinc/85/53/12/346855312.db2.gz DFZRYVQTYYWFHT-UHFFFAOYSA-N 0 3 199.323 1.181 20 0 ADADHN CSCCCNCc1nc(C)c[nH]1 594926735 346856068 /nfs/dbraw/zinc/85/60/68/346856068.db2.gz UFXYWTRXUNBRGG-UHFFFAOYSA-N 0 3 199.323 1.561 20 0 ADADHN CC(C)N(CC(N)=O)[C@H]1C=CCCC1 595550181 346860290 /nfs/dbraw/zinc/86/02/90/346860290.db2.gz ALFSDUHBUFLOEX-JTQLQIEISA-N 0 3 196.294 1.291 20 0 ADADHN CCCCN1CCNC(=O)[C@@H]1C(C)C 595568756 346860498 /nfs/dbraw/zinc/86/04/98/346860498.db2.gz LMSHWSXEPYBWCS-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCCCN1CCNC(=O)[C@H]1C(C)C 595568764 346860542 /nfs/dbraw/zinc/86/05/42/346860542.db2.gz LMSHWSXEPYBWCS-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N(CC(N)=O)[C@@H]1C=CCCC1 595550182 346860559 /nfs/dbraw/zinc/86/05/59/346860559.db2.gz ALFSDUHBUFLOEX-SNVBAGLBSA-N 0 3 196.294 1.291 20 0 ADADHN CCSCCN(C)Cc1cnc[nH]1 595595014 346861335 /nfs/dbraw/zinc/86/13/35/346861335.db2.gz ALUMNBRXQKUHHO-UHFFFAOYSA-N 0 3 199.323 1.595 20 0 ADADHN CC[C@@H]1CCC[C@H](C)N1CC(=O)OC 595867429 346869771 /nfs/dbraw/zinc/86/97/71/346869771.db2.gz NAKIUVCWJQDZPX-VHSXEESVSA-N 0 3 199.294 1.812 20 0 ADADHN Cc1cc(C)n(CCN(C)C2CC2)n1 597963210 346893516 /nfs/dbraw/zinc/89/35/16/346893516.db2.gz FJMVJPOIIMKBLJ-UHFFFAOYSA-N 0 3 193.294 1.594 20 0 ADADHN CN(C(=O)[C@@H]1CCCCN1C)C1CC1 599323355 346903719 /nfs/dbraw/zinc/90/37/19/346903719.db2.gz IUYMHTJVCPIINL-JTQLQIEISA-N 0 3 196.294 1.092 20 0 ADADHN CCC(=O)NC[C@H]1CCCCN1CC 599331446 346903861 /nfs/dbraw/zinc/90/38/61/346903861.db2.gz WGBHIUBLTPOMMG-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCC(=O)NC[C@@H]1CCCCN1CC 599331445 346904043 /nfs/dbraw/zinc/90/40/43/346904043.db2.gz WGBHIUBLTPOMMG-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CN(C(=O)[C@H]1CCCCN1C)C1CC1 599323356 346904078 /nfs/dbraw/zinc/90/40/78/346904078.db2.gz IUYMHTJVCPIINL-SNVBAGLBSA-N 0 3 196.294 1.092 20 0 ADADHN COCCN(C)[C@H](C)c1ccncc1 600625629 346912930 /nfs/dbraw/zinc/91/29/30/346912930.db2.gz MSHJEKSESMUNSK-SNVBAGLBSA-N 0 3 194.278 1.721 20 0 ADADHN COCCN(C)[C@@H](C)c1ccncc1 600625628 346913127 /nfs/dbraw/zinc/91/31/27/346913127.db2.gz MSHJEKSESMUNSK-JTQLQIEISA-N 0 3 194.278 1.721 20 0 ADADHN CC[C@@H](C)CN(C)CC(=O)N1CCC1 600656216 346914779 /nfs/dbraw/zinc/91/47/79/346914779.db2.gz BYYSNQQWZOWIGU-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H](C)CN(C)Cc1cnn(C)c1 600655276 346914894 /nfs/dbraw/zinc/91/48/94/346914894.db2.gz ZIWBBJCIMCCTRK-SNVBAGLBSA-N 0 3 195.310 1.898 20 0 ADADHN CC[C@H](C)CN(C)Cc1cnn(C)c1 600655275 346914932 /nfs/dbraw/zinc/91/49/32/346914932.db2.gz ZIWBBJCIMCCTRK-JTQLQIEISA-N 0 3 195.310 1.898 20 0 ADADHN CC[C@H](C)CN(C)CC(=O)N1CCC1 600656215 346915271 /nfs/dbraw/zinc/91/52/71/346915271.db2.gz BYYSNQQWZOWIGU-JTQLQIEISA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H](C)CN(C)CC(=O)NC1CC1 600685284 346915546 /nfs/dbraw/zinc/91/55/46/346915546.db2.gz WXIODFOHTKENCZ-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)NC(=O)CN(C)CC1CCC1 600711467 346915972 /nfs/dbraw/zinc/91/59/72/346915972.db2.gz SGIZYMANDHORQO-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN COCCN1CC[C@@H](c2ccco2)C1 600684715 346916044 /nfs/dbraw/zinc/91/60/44/346916044.db2.gz KDJHDZYCPMIGFP-SNVBAGLBSA-N 0 3 195.262 1.715 20 0 ADADHN CCN(CC(=O)NC(C)C)CC1CC1 601833749 346924901 /nfs/dbraw/zinc/92/49/01/346924901.db2.gz COSWHMHQFOUOMC-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(Cc1cnn(C)c1)CC1CC1 601832190 346925134 /nfs/dbraw/zinc/92/51/34/346925134.db2.gz SXHRHZLZIDJQFB-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN CCCNC(=O)CN(CC)CC1CC1 601832169 346925169 /nfs/dbraw/zinc/92/51/69/346925169.db2.gz AWHAWEZWSXUAQI-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN(CC(=O)N(C)CC)CC1CC1 601832202 346925201 /nfs/dbraw/zinc/92/52/01/346925201.db2.gz ZOKIKCINXAQXJT-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCCCN(C)CCNC(=O)C1CC1 602179079 346929707 /nfs/dbraw/zinc/92/97/07/346929707.db2.gz NBGXFEQPLXYIRU-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@@H](C)N(C)CC(=O)N(C)C1CC1 603410504 346955813 /nfs/dbraw/zinc/95/58/13/346955813.db2.gz FHNLSTLQSMWIQC-SECBINFHSA-N 0 3 198.310 1.338 20 0 ADADHN CC[C@H](C)N(C)CC(=O)N(C)C1CC1 603410505 346955929 /nfs/dbraw/zinc/95/59/29/346955929.db2.gz FHNLSTLQSMWIQC-VIFPVBQESA-N 0 3 198.310 1.338 20 0 ADADHN CCCCN1CCN(C2CCC2)CC1 603557004 346956887 /nfs/dbraw/zinc/95/68/87/346956887.db2.gz ZXFDDNVNXAYXSH-UHFFFAOYSA-N 0 3 196.338 1.957 20 0 ADADHN CCn1cc(CN(C)CC(C)C)cn1 603713514 346957706 /nfs/dbraw/zinc/95/77/06/346957706.db2.gz OXBFPRGCEQDAEZ-UHFFFAOYSA-N 0 3 195.310 1.991 20 0 ADADHN CCCN(C)Cc1cnn(CC)c1 603713920 346958039 /nfs/dbraw/zinc/95/80/39/346958039.db2.gz NDSKKTKHNHVTGW-UHFFFAOYSA-N 0 3 181.283 1.745 20 0 ADADHN CCC(C)(C)N(C)CC(=O)NC1CC1 603821904 346958357 /nfs/dbraw/zinc/95/83/57/346958357.db2.gz PASDTWDWCUFJEC-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CCn1cc(CN(C)C(C)C)cn1 603713922 346958417 /nfs/dbraw/zinc/95/84/17/346958417.db2.gz NSTFTPPXYWVEEH-UHFFFAOYSA-N 0 3 181.283 1.743 20 0 ADADHN CCN(C)Cc1cnn(CC)c1 603713929 346958506 /nfs/dbraw/zinc/95/85/06/346958506.db2.gz OGHRUNPONLSVND-UHFFFAOYSA-N 0 3 167.256 1.355 20 0 ADADHN C[C@@H](c1ccncc1)N1CC[C@H](O)C1 603935846 346959970 /nfs/dbraw/zinc/95/99/70/346959970.db2.gz NUSZHNCBYNIIDQ-ONGXEEELSA-N 0 3 192.262 1.209 20 0 ADADHN C[C@H](c1ccncc1)N1CC[C@H](O)C1 603935845 346960502 /nfs/dbraw/zinc/96/05/02/346960502.db2.gz NUSZHNCBYNIIDQ-KOLCDFICSA-N 0 3 192.262 1.209 20 0 ADADHN C[C@@H](c1ccncc1)N1CC[C@@H](O)C1 603940281 346960535 /nfs/dbraw/zinc/96/05/35/346960535.db2.gz NUSZHNCBYNIIDQ-GXSJLCMTSA-N 0 3 192.262 1.209 20 0 ADADHN C[C@H](c1ccncc1)N1CC[C@@H](O)C1 603940282 346960686 /nfs/dbraw/zinc/96/06/86/346960686.db2.gz NUSZHNCBYNIIDQ-MWLCHTKSSA-N 0 3 192.262 1.209 20 0 ADADHN CCC(C)(C)N(C)CC(=O)N1CCC1 603937858 346960711 /nfs/dbraw/zinc/96/07/11/346960711.db2.gz NTGYXLCRTFWWOJ-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN COCCN(C)CCc1cccnc1 604043271 346961090 /nfs/dbraw/zinc/96/10/90/346961090.db2.gz XHGBBIBEPGDOGG-UHFFFAOYSA-N 0 3 194.278 1.202 20 0 ADADHN CC[C@H]1COCCN1CCCOC 604396812 346962435 /nfs/dbraw/zinc/96/24/35/346962435.db2.gz JHVMZPFCHXHWQN-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN C[C@H](CNC(=O)CCC1CC1)N(C)C 604312145 346962601 /nfs/dbraw/zinc/96/26/01/346962601.db2.gz JFHQBTSWVGIJKH-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H](CNC(=O)CCC1CC1)N(C)C 604312146 346962748 /nfs/dbraw/zinc/96/27/48/346962748.db2.gz JFHQBTSWVGIJKH-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1COCCN1CCCOC 604396813 346962818 /nfs/dbraw/zinc/96/28/18/346962818.db2.gz JHVMZPFCHXHWQN-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CCN(CCOC)CCSC 604427975 346963391 /nfs/dbraw/zinc/96/33/91/346963391.db2.gz MJYWUNMRGVBZIO-UHFFFAOYSA-N 0 3 177.313 1.318 20 0 ADADHN CC[C@H](C)CN(C)[C@H]1CCN(C)C1=O 604759124 346965292 /nfs/dbraw/zinc/96/52/92/346965292.db2.gz DMASQOCVGNSVMV-UWVGGRQHSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)CCN(C)[C@@H]1CCN(C)C1=O 604758696 346965317 /nfs/dbraw/zinc/96/53/17/346965317.db2.gz NOFPVKUCLWWXFM-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)CCN(C)[C@H]1CCN(C)C1=O 604758695 346965407 /nfs/dbraw/zinc/96/54/07/346965407.db2.gz NOFPVKUCLWWXFM-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@@H](C)CN(C)[C@H]1CCN(C)C1=O 604759126 346965412 /nfs/dbraw/zinc/96/54/12/346965412.db2.gz DMASQOCVGNSVMV-ZJUUUORDSA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@@H](C)CN(C)[C@@H]1CCN(C)C1=O 604759123 346965423 /nfs/dbraw/zinc/96/54/23/346965423.db2.gz DMASQOCVGNSVMV-NXEZZACHSA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@H](C)CN(C)[C@@H]1CCN(C)C1=O 604759125 346965578 /nfs/dbraw/zinc/96/55/78/346965578.db2.gz DMASQOCVGNSVMV-VHSXEESVSA-N 0 3 198.310 1.195 20 0 ADADHN CCCCCN1CCC[C@@H]1C(=O)NC 605150079 346968338 /nfs/dbraw/zinc/96/83/38/346968338.db2.gz NPNWITONDKOXNZ-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCCCN1CCC[C@H]1C(=O)NC 605150078 346968382 /nfs/dbraw/zinc/96/83/82/346968382.db2.gz NPNWITONDKOXNZ-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN C[C@H]1CN(CC2(C)COC2)[C@H](C)CO1 605438310 346970706 /nfs/dbraw/zinc/97/07/06/346970706.db2.gz XVKFYTVJRYQKPR-ZJUUUORDSA-N 0 3 199.294 1.132 20 0 ADADHN CC1(CN2CCSCC2)COC1 605437980 346970842 /nfs/dbraw/zinc/97/08/42/346970842.db2.gz JIABKNXQOWZOPY-UHFFFAOYSA-N 0 3 187.308 1.072 20 0 ADADHN C[C@H]1CN(CC2(C)COC2)C[C@@H](C)O1 605434448 346970861 /nfs/dbraw/zinc/97/08/61/346970861.db2.gz MZICOOISWOMPBB-AOOOYVTPSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1CN(CC2(C)COC2)[C@H](C)CO1 605438295 346970982 /nfs/dbraw/zinc/97/09/82/346970982.db2.gz XVKFYTVJRYQKPR-NXEZZACHSA-N 0 3 199.294 1.132 20 0 ADADHN CN(Cc1ccco1)CC1(C)COC1 605434532 346970991 /nfs/dbraw/zinc/97/09/91/346970991.db2.gz SPHNEXSBMPSQMC-UHFFFAOYSA-N 0 3 195.262 1.748 20 0 ADADHN Cc1nccnc1CN1CCCC1 606253625 346974188 /nfs/dbraw/zinc/97/41/88/346974188.db2.gz OQOWVRGKQWHIKL-UHFFFAOYSA-N 0 3 177.251 1.381 20 0 ADADHN OCCN1CCCC(F)(F)CC1 606254732 346974835 /nfs/dbraw/zinc/97/48/35/346974835.db2.gz JVEMKXZEOBWEPY-UHFFFAOYSA-N 0 3 179.210 1.100 20 0 ADADHN CC[C@H](C)[C@@H]1CCCCN1CC(N)=O 606434226 346982084 /nfs/dbraw/zinc/98/20/84/346982084.db2.gz QNISRLFWAVZJKF-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CCN(CC(=O)NC1CC1)C1CCC1 606434654 346982168 /nfs/dbraw/zinc/98/21/68/346982168.db2.gz GZVHJJUIGYYHCS-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CCN(Cc1cnn(C)c1)C1CCC1 606434529 346982308 /nfs/dbraw/zinc/98/23/08/346982308.db2.gz MUORLMLPZAJDNZ-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN CC[C@H](C)[C@H]1CCCCN1CC(N)=O 606434227 346982357 /nfs/dbraw/zinc/98/23/57/346982357.db2.gz QNISRLFWAVZJKF-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C)[C@@H]1CCCCN1CC(N)=O 606434228 346982434 /nfs/dbraw/zinc/98/24/34/346982434.db2.gz QNISRLFWAVZJKF-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CCN(CC(=O)N1CCC1)C1CCC1 606434692 346982495 /nfs/dbraw/zinc/98/24/95/346982495.db2.gz NWEGTVLXSHQDNT-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CN(Cc1ccc(O)cc1)C1CC1 606431609 346982528 /nfs/dbraw/zinc/98/25/28/346982528.db2.gz YYQJQPMUKUNADL-UHFFFAOYSA-N 0 3 177.247 1.986 20 0 ADADHN CCN(CC(=O)NC(C)C)C1CCC1 606434856 346982588 /nfs/dbraw/zinc/98/25/88/346982588.db2.gz KGGHZWFAQQGNDV-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CCCNC(=O)CN(CC)C1CCC1 606434653 346982599 /nfs/dbraw/zinc/98/25/99/346982599.db2.gz GZLXMTMYOROOJF-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCN(C)C(=O)CN(CC)C1CCC1 606434562 346982603 /nfs/dbraw/zinc/98/26/03/346982603.db2.gz SSCYLHIEHMKRPB-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@@H](C)[C@H]1CCCCN1CC(N)=O 606434225 346982635 /nfs/dbraw/zinc/98/26/35/346982635.db2.gz QNISRLFWAVZJKF-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN COC[C@H]1CCN(Cc2ccno2)C1 606898207 346986095 /nfs/dbraw/zinc/98/60/95/346986095.db2.gz KLJUBAHUYJOOTG-VIFPVBQESA-N 0 3 196.250 1.143 20 0 ADADHN COC[C@@H]1CCN(Cc2ccno2)C1 606898206 346986236 /nfs/dbraw/zinc/98/62/36/346986236.db2.gz KLJUBAHUYJOOTG-SECBINFHSA-N 0 3 196.250 1.143 20 0 ADADHN CC[C@H](C)NC(=O)CN1CCC[C@@H]1C 607044786 346987015 /nfs/dbraw/zinc/98/70/15/346987015.db2.gz ORSWEJNNOMHWFW-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCCCNC(=O)CN1CCC[C@H]1C 607043815 346987058 /nfs/dbraw/zinc/98/70/58/346987058.db2.gz RVWPTGGNHFCRLS-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@@H](C)NC(=O)CN1CCC[C@@H]1C 607044788 346987075 /nfs/dbraw/zinc/98/70/75/346987075.db2.gz ORSWEJNNOMHWFW-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H](C)NC(=O)CN1CCC[C@H]1C 607044785 346987124 /nfs/dbraw/zinc/98/71/24/346987124.db2.gz ORSWEJNNOMHWFW-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@H](C)NC(=O)CN1CCC[C@H]1C 607044787 346987134 /nfs/dbraw/zinc/98/71/34/346987134.db2.gz ORSWEJNNOMHWFW-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)CNC(=O)CN1CCC[C@@H]1C 607043831 346987152 /nfs/dbraw/zinc/98/71/52/346987152.db2.gz VFYHRMUQBFGWBA-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)CNC(=O)CN1CCC[C@H]1C 607043832 346987173 /nfs/dbraw/zinc/98/71/73/346987173.db2.gz VFYHRMUQBFGWBA-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)C(=O)CN1CCC[C@H]1C 607047934 346987415 /nfs/dbraw/zinc/98/74/15/346987415.db2.gz OPSOIIUSICPBBA-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(CC)C(=O)CN1CCC[C@@H]1C 607047933 346987435 /nfs/dbraw/zinc/98/74/35/346987435.db2.gz OPSOIIUSICPBBA-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN C[C@H](CNC(=O)C1CC=CC1)N(C)C 607105940 346987859 /nfs/dbraw/zinc/98/78/59/346987859.db2.gz NZNWRBVRUNHSAT-SECBINFHSA-N 0 3 196.294 1.019 20 0 ADADHN C[C@@H](CNC(=O)C1CC=CC1)N(C)C 607105941 346987969 /nfs/dbraw/zinc/98/79/69/346987969.db2.gz NZNWRBVRUNHSAT-VIFPVBQESA-N 0 3 196.294 1.019 20 0 ADADHN CCCNC(=O)CN1C[C@@H](C)C[C@@H]1C 607155065 346989419 /nfs/dbraw/zinc/98/94/19/346989419.db2.gz IJHNAUDAHVQEPW-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN C1CO[C@@H](COCCN2CCCC2)C1 607356844 346990182 /nfs/dbraw/zinc/99/01/82/346990182.db2.gz VRFGWLPKDPSOSK-LLVKDONJSA-N 0 3 199.294 1.278 20 0 ADADHN CCCNC(=O)CN1[C@H](C)CC[C@H]1C 607278404 346990241 /nfs/dbraw/zinc/99/02/41/346990241.db2.gz ZDYLACJMWKRUJQ-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CCCNC(=O)CN1[C@@H](C)CC[C@H]1C 607278403 346990280 /nfs/dbraw/zinc/99/02/80/346990280.db2.gz ZDYLACJMWKRUJQ-AOOOYVTPSA-N 0 3 198.310 1.385 20 0 ADADHN C1CO[C@H](COCCN2CCCC2)C1 607356847 346990404 /nfs/dbraw/zinc/99/04/04/346990404.db2.gz VRFGWLPKDPSOSK-NSHDSACASA-N 0 3 199.294 1.278 20 0 ADADHN C1COCCN(CCOCC2CC2)C1 607727943 346992656 /nfs/dbraw/zinc/99/26/56/346992656.db2.gz INCOAACTGYUARL-UHFFFAOYSA-N 0 3 199.294 1.135 20 0 ADADHN CN(CCOCC1CC1)[C@H]1CCOC1 607730988 346993417 /nfs/dbraw/zinc/99/34/17/346993417.db2.gz KFNLOPFXELLMKO-NSHDSACASA-N 0 3 199.294 1.134 20 0 ADADHN CN(CCOCC1CC1)[C@@H]1CCOC1 607730987 346993486 /nfs/dbraw/zinc/99/34/86/346993486.db2.gz KFNLOPFXELLMKO-LLVKDONJSA-N 0 3 199.294 1.134 20 0 ADADHN CC1CCC(CN(C)CC(N)=O)CC1 607742441 346995838 /nfs/dbraw/zinc/99/58/38/346995838.db2.gz BZHCFMWCNSLSHG-UHFFFAOYSA-N 0 3 198.310 1.230 20 0 ADADHN CCN(CCOC)Cc1ccncc1 607753490 346996318 /nfs/dbraw/zinc/99/63/18/346996318.db2.gz VRWRVCKCNYNIKT-UHFFFAOYSA-N 0 3 194.278 1.550 20 0 ADADHN COCCCN(C)Cc1ccncc1 607753553 346996474 /nfs/dbraw/zinc/99/64/74/346996474.db2.gz PYICELDWWZMBRN-UHFFFAOYSA-N 0 3 194.278 1.550 20 0 ADADHN CNC(=O)CN(C)CCC1CCCC1 607753417 346996692 /nfs/dbraw/zinc/99/66/92/346996692.db2.gz ASCZMPPIHMAEDV-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)N(C)CC(=O)N(C)C1CCC1 607938870 346998273 /nfs/dbraw/zinc/99/82/73/346998273.db2.gz AWBGGKWCFKDRKM-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN C[C@@H](CNC(=O)CC1CCC1)N(C)C 608110129 346999723 /nfs/dbraw/zinc/99/97/23/346999723.db2.gz ZOKJKGXNBJOEEC-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](CNC(=O)CC1CCC1)N(C)C 608110128 346999819 /nfs/dbraw/zinc/99/98/19/346999819.db2.gz ZOKJKGXNBJOEEC-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN(C)CC(=O)NCCC1CC1 608160227 347001191 /nfs/dbraw/zinc/00/11/91/347001191.db2.gz WMMJJRRFIXXYPR-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)N(C)CC(=O)NCCC1CC1 608160076 347001210 /nfs/dbraw/zinc/00/12/10/347001210.db2.gz WHJAXHNRDXYTIC-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)CC(=O)N(C)C1CCC1 608473672 347001670 /nfs/dbraw/zinc/00/16/70/347001670.db2.gz NVTRCYUAMOYYHL-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(CC)CC(=O)NCCC1CC1 608474841 347001794 /nfs/dbraw/zinc/00/17/94/347001794.db2.gz GSJYAJZRBAIXNX-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CN(CCC1CC1)Cc1cnn(C)c1 608491437 347002283 /nfs/dbraw/zinc/00/22/83/347002283.db2.gz IOZAZLLIESBEKM-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN CCNC(=O)CN(CC)CC1CCC1 608491742 347002418 /nfs/dbraw/zinc/00/24/18/347002418.db2.gz YDDINQOVYBVVJV-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)N1CCN(CCC2CC2)CC1 608491886 347002438 /nfs/dbraw/zinc/00/24/38/347002438.db2.gz POOHENPFTINHNY-UHFFFAOYSA-N 0 3 196.338 1.813 20 0 ADADHN CCNC(=O)CN(CC)CCC1CC1 608491757 347002490 /nfs/dbraw/zinc/00/24/90/347002490.db2.gz GTHSCORMPNOSAB-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCCNC(=O)CN(C)CCC1CC1 608491411 347002842 /nfs/dbraw/zinc/00/28/42/347002842.db2.gz BXDAALMXWZOZHR-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/05/71/05/347057105.db2.gz JWGXIXADXDKDQD-VIFPVBQESA-N 0 3 179.267 1.609 20 0 ADADHN COCCCN1CCOC(C)(C)C1 613327169 347058318 /nfs/dbraw/zinc/05/83/18/347058318.db2.gz JDKFKUGHCCAENU-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN CCN(CC)CC(=O)N(C)CC1CC1 613432526 347059042 /nfs/dbraw/zinc/05/90/42/347059042.db2.gz HLZZWYIWVZFSPA-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN Cc1cc(CN(C)CC2CC2)on1 613475538 347059975 /nfs/dbraw/zinc/05/99/75/347059975.db2.gz BXVSXXWDUQTKKR-UHFFFAOYSA-N 0 3 180.251 1.825 20 0 ADADHN CCN(CC)C(=O)CN(C)CC1CC1 613476278 347060689 /nfs/dbraw/zinc/06/06/89/347060689.db2.gz RHUYKOHZTBQYGG-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CC(C)CNC(=O)CN(C)CC1CC1 613476268 347060873 /nfs/dbraw/zinc/06/08/73/347060873.db2.gz RARBEKHUDKHIBP-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN CC[C@H](C)NC(=O)CN(C)CC1CC1 613476328 347060899 /nfs/dbraw/zinc/06/08/99/347060899.db2.gz RLDTXCNHNXPKDW-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCCCNC(=O)CN(C)CC1CC1 613476344 347060905 /nfs/dbraw/zinc/06/09/05/347060905.db2.gz SGJGUTZISWAYBB-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC[C@@H](C)NC(=O)CN(C)CC1CC1 613476323 347060922 /nfs/dbraw/zinc/06/09/22/347060922.db2.gz RLDTXCNHNXPKDW-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N(C)[C@H](C)C[S@@](C)=O 613481853 347061006 /nfs/dbraw/zinc/06/10/06/347061006.db2.gz KAZQYZHSKAYWNP-LDYMZIIASA-N 0 3 177.313 1.094 20 0 ADADHN CCNC(=O)CN(C)CC1CCCC1 613487953 347061015 /nfs/dbraw/zinc/06/10/15/347061015.db2.gz DHPQSYQBOFBZMJ-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)N(C)[C@H](C)C[S@](C)=O 613481851 347061021 /nfs/dbraw/zinc/06/10/21/347061021.db2.gz KAZQYZHSKAYWNP-KCJUWKMLSA-N 0 3 177.313 1.094 20 0 ADADHN CC(C)N(C)[C@@H](C)C[S@](C)=O 613481852 347061041 /nfs/dbraw/zinc/06/10/41/347061041.db2.gz KAZQYZHSKAYWNP-KWQFWETISA-N 0 3 177.313 1.094 20 0 ADADHN CC(C)N(C)[C@@H](C)C[S@@](C)=O 613481850 347061095 /nfs/dbraw/zinc/06/10/95/347061095.db2.gz KAZQYZHSKAYWNP-GZMMTYOYSA-N 0 3 177.313 1.094 20 0 ADADHN CCNC(=O)CN1CCC(CC)CC1 613503057 347061452 /nfs/dbraw/zinc/06/14/52/347061452.db2.gz DBHHXIBLZSLOQI-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)CCN(C)CC(=O)N1CCC1 613502606 347061860 /nfs/dbraw/zinc/06/18/60/347061860.db2.gz SWOVFAPBPMNLQH-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCN(CCN1CCCC1=O)C1CC1 613604665 347062267 /nfs/dbraw/zinc/06/22/67/347062267.db2.gz MMANGCSBDZMWMO-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CCCNC(=O)[C@H]1CCCN1CCC 613597966 347062304 /nfs/dbraw/zinc/06/23/04/347062304.db2.gz WGZWRJLKEJLXIQ-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)N(CC(=O)N(C)C)CC1CC1 613629897 347062450 /nfs/dbraw/zinc/06/24/50/347062450.db2.gz DKBLPBJAEXITAH-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CCCNC(=O)[C@@H]1CCCN1CCC 613597965 347062474 /nfs/dbraw/zinc/06/24/74/347062474.db2.gz WGZWRJLKEJLXIQ-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN COCCN1CCC[C@H]1c1ccc[nH]1 613755923 347063676 /nfs/dbraw/zinc/06/36/76/347063676.db2.gz RYKYBMBMJSYFHV-NSHDSACASA-N 0 3 194.278 1.798 20 0 ADADHN COCCN1CCC[C@@H]1c1ccc[nH]1 613755922 347063717 /nfs/dbraw/zinc/06/37/17/347063717.db2.gz RYKYBMBMJSYFHV-LLVKDONJSA-N 0 3 194.278 1.798 20 0 ADADHN CCCNC(=O)[C@@H](C)N(C)CC1CC1 613815601 347064357 /nfs/dbraw/zinc/06/43/57/347064357.db2.gz MFFXEPNAJJEOIB-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1ncc(CN(C)CC2CC2)cn1 613817008 347064524 /nfs/dbraw/zinc/06/45/24/347064524.db2.gz OKOIJHKFRPKSDL-UHFFFAOYSA-N 0 3 191.278 1.627 20 0 ADADHN CCCNC(=O)[C@H](C)N(C)CC1CC1 613815602 347064590 /nfs/dbraw/zinc/06/45/90/347064590.db2.gz MFFXEPNAJJEOIB-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CN(Cc1cccn1C)CC1CC1 613814960 347064620 /nfs/dbraw/zinc/06/46/20/347064620.db2.gz PKBVQBYHBXRVPP-UHFFFAOYSA-N 0 3 178.279 1.867 20 0 ADADHN CCN(C)Cc1cccc(C(N)=O)c1 614051798 347067410 /nfs/dbraw/zinc/06/74/10/347067410.db2.gz OMSFBYUUXHYEJS-UHFFFAOYSA-N 0 3 192.262 1.237 20 0 ADADHN CN(C)CCNC(=O)C1(C)CCCC1 614216662 347069476 /nfs/dbraw/zinc/06/94/76/347069476.db2.gz OWOMYRDQRBCOGH-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN COCCN(C)C[C@@H]1CCCCO1 614368246 347070463 /nfs/dbraw/zinc/07/04/63/347070463.db2.gz DCGNGMGVHKTLMM-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN COCCN(C)C[C@H]1CCCCO1 614368249 347070736 /nfs/dbraw/zinc/07/07/36/347070736.db2.gz DCGNGMGVHKTLMM-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CCCN1CCCN(C(=O)CC)CC1 614359100 347070839 /nfs/dbraw/zinc/07/08/39/347070839.db2.gz ZDZDQTRICMIQPC-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN COCCN(C)CCc1ccncc1 614368400 347070852 /nfs/dbraw/zinc/07/08/52/347070852.db2.gz XTBPWXWXJKBYIQ-UHFFFAOYSA-N 0 3 194.278 1.202 20 0 ADADHN COC(=O)[C@]1(C)CCCN1CC1CC1 614588807 347072426 /nfs/dbraw/zinc/07/24/26/347072426.db2.gz LUVLIMNXYRVEHA-NSHDSACASA-N 0 3 197.278 1.424 20 0 ADADHN COC(=O)[C@]1(C)CCCN1CC(C)C 614588876 347072582 /nfs/dbraw/zinc/07/25/82/347072582.db2.gz KFKBVKMDDUWLJG-NSHDSACASA-N 0 3 199.294 1.670 20 0 ADADHN CCCCN1CCC[C@@]1(C)C(=O)OC 614588799 347072813 /nfs/dbraw/zinc/07/28/13/347072813.db2.gz JKUAZSSNMTWMSH-NSHDSACASA-N 0 3 199.294 1.814 20 0 ADADHN CCN(Cc1cnn(C)c1)C(C)C 615103503 347076596 /nfs/dbraw/zinc/07/65/96/347076596.db2.gz NJALOVKYQIHLDW-UHFFFAOYSA-N 0 3 181.283 1.650 20 0 ADADHN C[C@@H](CNC(=O)C1=CCCC1)N(C)C 616488318 347093976 /nfs/dbraw/zinc/09/39/76/347093976.db2.gz HCELHOVUHFRRTG-VIFPVBQESA-N 0 3 196.294 1.163 20 0 ADADHN CCN1CCC(c2nnc[nH]2)CC1 616619426 347125103 /nfs/dbraw/zinc/12/51/03/347125103.db2.gz NIWJIWNXIPOORV-UHFFFAOYSA-N 0 3 180.255 1.004 20 0 ADADHN CCN1CCC(c2ncco2)CC1 616619438 347125119 /nfs/dbraw/zinc/12/51/19/347125119.db2.gz NSUPTJZEROJMBT-UHFFFAOYSA-N 0 3 180.251 1.874 20 0 ADADHN COC(=O)[C@@H]1CCCN1C[C@H]1C[C@H]1C 617097559 347172076 /nfs/dbraw/zinc/17/20/76/347172076.db2.gz GNSWPIBCXJGEHP-BBBLOLIVSA-N 0 3 197.278 1.280 20 0 ADADHN COC(=O)[C@@H]1CCCN1C[C@@H]1C[C@@H]1C 617097560 347172331 /nfs/dbraw/zinc/17/23/31/347172331.db2.gz GNSWPIBCXJGEHP-GUBZILKMSA-N 0 3 197.278 1.280 20 0 ADADHN COC(=O)[C@@H]1CCCN1C[C@H]1C[C@@H]1C 617097558 347172671 /nfs/dbraw/zinc/17/26/71/347172671.db2.gz GNSWPIBCXJGEHP-AEJSXWLSSA-N 0 3 197.278 1.280 20 0 ADADHN COC(=O)[C@@H]1CCCN1C[C@@H]1C[C@H]1C 617097561 347172725 /nfs/dbraw/zinc/17/27/25/347172725.db2.gz GNSWPIBCXJGEHP-UTLUCORTSA-N 0 3 197.278 1.280 20 0 ADADHN CCC(=O)N(CC)[C@H]1CCN(CC)C1 617933423 347185370 /nfs/dbraw/zinc/18/53/70/347185370.db2.gz PNNWMZFTHIUEHN-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCC(=O)N(CC)[C@@H]1CCN(CC)C1 617933424 347185456 /nfs/dbraw/zinc/18/54/56/347185456.db2.gz PNNWMZFTHIUEHN-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CN(Cc1ccoc1)C[C@H]1CCOC1 618446182 347189932 /nfs/dbraw/zinc/18/99/32/347189932.db2.gz QDFVSMADGAOJBI-LLVKDONJSA-N 0 3 195.262 1.748 20 0 ADADHN COCCCN(C)Cc1ccoc1 618446187 347189982 /nfs/dbraw/zinc/18/99/82/347189982.db2.gz VSVBLGHPFCWTKH-UHFFFAOYSA-N 0 3 183.251 1.748 20 0 ADADHN CN(Cc1ccoc1)C[C@@H]1CCOC1 618446183 347190032 /nfs/dbraw/zinc/19/00/32/347190032.db2.gz QDFVSMADGAOJBI-NSHDSACASA-N 0 3 195.262 1.748 20 0 ADADHN CN(CCOCC(F)(F)F)C1CC1 618610910 347191621 /nfs/dbraw/zinc/19/16/21/347191621.db2.gz TTWGVULNSLNPRN-UHFFFAOYSA-N 0 3 197.200 1.660 20 0 ADADHN CCCN1CCC[C@@H]1C(=O)NC1CC1 618982426 347195908 /nfs/dbraw/zinc/19/59/08/347195908.db2.gz JYYYRKRDUVYXDF-SNVBAGLBSA-N 0 3 196.294 1.139 20 0 ADADHN CCCN1CCC[C@H]1C(=O)NC1CC1 618982425 347196223 /nfs/dbraw/zinc/19/62/23/347196223.db2.gz JYYYRKRDUVYXDF-JTQLQIEISA-N 0 3 196.294 1.139 20 0 ADADHN CC[C@@H](C)N(CC(=O)OC)CC1CC1 619612697 347203498 /nfs/dbraw/zinc/20/34/98/347203498.db2.gz MCTSONZEEBUDBR-SECBINFHSA-N 0 3 199.294 1.670 20 0 ADADHN CC[C@H](C)N(CC(=O)OC)CC1CC1 619612698 347203535 /nfs/dbraw/zinc/20/35/35/347203535.db2.gz MCTSONZEEBUDBR-VIFPVBQESA-N 0 3 199.294 1.670 20 0 ADADHN CCN(CCOC)C[C@@H]1CCCO1 619731073 347205173 /nfs/dbraw/zinc/20/51/73/347205173.db2.gz JKHZZPNPSVHGTN-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CCN(CCOC)CCOC(C)C 619731075 347205412 /nfs/dbraw/zinc/20/54/12/347205412.db2.gz MRDWMYFDBZHXFW-UHFFFAOYSA-N 0 3 189.299 1.380 20 0 ADADHN COCCCN1CCOCC1(C)C 619726875 347205452 /nfs/dbraw/zinc/20/54/52/347205452.db2.gz VAABKCNHMMENCX-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN CCCCN(C)CC(=O)N(C)C1CC1 619722940 347205531 /nfs/dbraw/zinc/20/55/31/347205531.db2.gz PIJQQAHIFOASQG-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCCC(=O)NCCN(C)C1CC1 620040038 347206989 /nfs/dbraw/zinc/20/69/89/347206989.db2.gz HEXQXWOQGZIURH-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)CC(=O)NCCN(C)C1CC1 620040037 347207070 /nfs/dbraw/zinc/20/70/70/347207070.db2.gz FZSLKFSQGBGTGE-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)CC(=O)N[C@@H]1CC1(C)C 620207494 347210762 /nfs/dbraw/zinc/21/07/62/347210762.db2.gz POUDHYYEASRGQH-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)CC(=O)NC[C@@H]1C[C@@H]1C 620190974 347210878 /nfs/dbraw/zinc/21/08/78/347210878.db2.gz LYESREFYJGUDLJ-UWVGGRQHSA-N 0 3 198.310 1.100 20 0 ADADHN CCN(CC)CC(=O)NC[C@@H]1C[C@H]1C 620190976 347210990 /nfs/dbraw/zinc/21/09/90/347210990.db2.gz LYESREFYJGUDLJ-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN CCN(CC)CC(=O)NC[C@H]1C[C@@H]1C 620190975 347211009 /nfs/dbraw/zinc/21/10/09/347211009.db2.gz LYESREFYJGUDLJ-VHSXEESVSA-N 0 3 198.310 1.100 20 0 ADADHN CCN(CC)CC(=O)NCC1CCC1 620188044 347211029 /nfs/dbraw/zinc/21/10/29/347211029.db2.gz TVDPIXPPPNFZSM-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN(CC)CC(=O)N[C@H]1CC1(C)C 620207495 347211054 /nfs/dbraw/zinc/21/10/54/347211054.db2.gz POUDHYYEASRGQH-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCN(CC)CC(=O)NC[C@H]1C[C@H]1C 620190973 347211096 /nfs/dbraw/zinc/21/10/96/347211096.db2.gz LYESREFYJGUDLJ-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CCCCC(=O)NC[C@H]1CCCN1C 620220386 347211457 /nfs/dbraw/zinc/21/14/57/347211457.db2.gz RAUZYQQTSISDQX-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H](C)C(=O)NC[C@H]1CCCN1C 620219730 347211848 /nfs/dbraw/zinc/21/18/48/347211848.db2.gz NVWNOATUKLPNGB-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)C(=O)NC[C@H]1CCCN1C 620219728 347211883 /nfs/dbraw/zinc/21/18/83/347211883.db2.gz NVWNOATUKLPNGB-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CCNC(=O)CN1CCC[C@@H]1C(C)C 620279252 347212276 /nfs/dbraw/zinc/21/22/76/347212276.db2.gz UDADXTFGELDTNY-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCNC(=O)CN1CCC[C@H]1C(C)C 620279251 347212500 /nfs/dbraw/zinc/21/25/00/347212500.db2.gz UDADXTFGELDTNY-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN COCCCN(C)Cc1cccnc1 620618542 347216776 /nfs/dbraw/zinc/21/67/76/347216776.db2.gz JZLNKECGADHTQL-UHFFFAOYSA-N 0 3 194.278 1.550 20 0 ADADHN COCCCN(C)Cc1ccccn1 620618302 347216887 /nfs/dbraw/zinc/21/68/87/347216887.db2.gz VJMOIKLVXJBVIJ-UHFFFAOYSA-N 0 3 194.278 1.550 20 0 ADADHN CC[C@H](C)C(=O)NCCN(C)C1CC1 620636863 347216972 /nfs/dbraw/zinc/21/69/72/347216972.db2.gz HIIOZMZKKDXAET-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)C(=O)NCCN(C)C1CC1 620636861 347216987 /nfs/dbraw/zinc/21/69/87/347216987.db2.gz HIIOZMZKKDXAET-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]1C 620774732 347217417 /nfs/dbraw/zinc/21/74/17/347217417.db2.gz LFOKUDYZBGAJNL-VHSXEESVSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)N(C)CC(=O)N(C)CC1CC1 620774686 347217477 /nfs/dbraw/zinc/21/74/77/347217477.db2.gz SWVDRWVBCHIFKB-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)N(C)CC(=O)NC[C@@H]1C[C@@H]1C 620774729 347217633 /nfs/dbraw/zinc/21/76/33/347217633.db2.gz LFOKUDYZBGAJNL-UWVGGRQHSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)N(C)CC(=O)NC[C@@H]1C[C@H]1C 620774733 347217678 /nfs/dbraw/zinc/21/76/78/347217678.db2.gz LFOKUDYZBGAJNL-ZJUUUORDSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)N(C)CC(=O)N[C@H]1CC1(C)C 620774620 347217770 /nfs/dbraw/zinc/21/77/70/347217770.db2.gz BWXASOONWQSNRX-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)N(C)CC(=O)N[C@@H]1CC1(C)C 620774596 347217869 /nfs/dbraw/zinc/21/78/69/347217869.db2.gz BWXASOONWQSNRX-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)N(C)CC(=O)NCC1CCC1 620774424 347217893 /nfs/dbraw/zinc/21/78/93/347217893.db2.gz ZUJUAYBVZGKYHP-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N(C)CC(=O)NC[C@H]1C[C@H]1C 620774720 347217947 /nfs/dbraw/zinc/21/79/47/347217947.db2.gz LFOKUDYZBGAJNL-NXEZZACHSA-N 0 3 198.310 1.099 20 0 ADADHN COCCN(C)CCOC(C)(C)C 620933698 347221050 /nfs/dbraw/zinc/22/10/50/347221050.db2.gz WXXHCXDONXJIOC-UHFFFAOYSA-N 0 3 189.299 1.380 20 0 ADADHN CC(C)CN(C)CC(=O)N(C)C1CC1 620937625 347221090 /nfs/dbraw/zinc/22/10/90/347221090.db2.gz AKNDPXMECQXIPV-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CN(CCOC(C)(C)C)C1CC1 620933678 347221119 /nfs/dbraw/zinc/22/11/19/347221119.db2.gz QVOWPTSPTDVKOP-UHFFFAOYSA-N 0 3 171.284 1.896 20 0 ADADHN CC(C)CN(C)[C@H](C)C(=O)NC1CC1 620937642 347221634 /nfs/dbraw/zinc/22/16/34/347221634.db2.gz DGGNBEAGSUTEBR-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CN(C)[C@@H](C)C(=O)NC1CC1 620937643 347221932 /nfs/dbraw/zinc/22/19/32/347221932.db2.gz DGGNBEAGSUTEBR-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN Cc1cc(CN(C)C[C@H](C)O)ccn1 621258958 347224154 /nfs/dbraw/zinc/22/41/54/347224154.db2.gz DZBAPFRBIRHQEV-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN C[C@@H](c1ccco1)N(C)CCCO 621278863 347224646 /nfs/dbraw/zinc/22/46/46/347224646.db2.gz NHRKXOUMFUZKMH-VIFPVBQESA-N 0 3 183.251 1.655 20 0 ADADHN CCCN(CC)CC(=O)NCC1CC1 621271217 347224965 /nfs/dbraw/zinc/22/49/65/347224965.db2.gz GBWLLWCBKQMHSY-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCCCN(CC(N)=O)C1CCCC1 621314550 347225555 /nfs/dbraw/zinc/22/55/55/347225555.db2.gz GSDHROQXVWFCEP-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN CCCN(C)CC(=O)N(CC)C1CC1 621323348 347225583 /nfs/dbraw/zinc/22/55/83/347225583.db2.gz FKYIBWPNDSCFFU-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCCN(C)CC(=O)NCC1CC1 621322126 347225850 /nfs/dbraw/zinc/22/58/50/347225850.db2.gz KRPHNNYWEIAYRA-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCCN(C)CC(=O)N(C)CC1CC1 621323351 347226089 /nfs/dbraw/zinc/22/60/89/347226089.db2.gz FSIFAXBWUDMHEH-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCCN(C)CC(=O)N[C@H](C)C1CC1 621324797 347226628 /nfs/dbraw/zinc/22/66/28/347226628.db2.gz OINPDWFZFUQVRQ-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCN(C)CC(=O)N[C@@H](C)C1CC1 621324798 347226677 /nfs/dbraw/zinc/22/66/77/347226677.db2.gz OINPDWFZFUQVRQ-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCCN(C)CC(=O)N1CCCCC1 621325506 347226706 /nfs/dbraw/zinc/22/67/06/347226706.db2.gz BZYBWBDRDRYYAB-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CCCc1ccc(CNCCO)s1 621326676 347227075 /nfs/dbraw/zinc/22/70/75/347227075.db2.gz QEBWOFATVAZEFZ-UHFFFAOYSA-N 0 3 199.319 1.783 20 0 ADADHN CCCN(C)CC(=O)NC1CCCC1 621325512 347227097 /nfs/dbraw/zinc/22/70/97/347227097.db2.gz INMRTSRGAQUWSI-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN Cc1c[nH]nc1CNCC1CC(C)C1 621384429 347228308 /nfs/dbraw/zinc/22/83/08/347228308.db2.gz HICJPQYOIOXZAH-UHFFFAOYSA-N 0 3 193.294 1.854 20 0 ADADHN Cc1c[nH]c(CNCC2CC(C)C2)n1 621384548 347228450 /nfs/dbraw/zinc/22/84/50/347228450.db2.gz KPTPDCIXPSTDCG-UHFFFAOYSA-N 0 3 193.294 1.854 20 0 ADADHN CC1CC(CNCc2ncc[nH]2)C1 621383424 347228499 /nfs/dbraw/zinc/22/84/99/347228499.db2.gz GMZNJNCJJPSWJY-UHFFFAOYSA-N 0 3 179.267 1.545 20 0 ADADHN CC1CC(CNCc2ccn(C)n2)C1 621383441 347228545 /nfs/dbraw/zinc/22/85/45/347228545.db2.gz GYEQYPBCQVJGHC-UHFFFAOYSA-N 0 3 193.294 1.556 20 0 ADADHN CC1CC(CNCc2cc[nH]n2)C1 621384016 347228589 /nfs/dbraw/zinc/22/85/89/347228589.db2.gz XXSIAGYBGZRENG-UHFFFAOYSA-N 0 3 179.267 1.545 20 0 ADADHN CC(C)OCCN1CCCOCC1 621626091 347229199 /nfs/dbraw/zinc/22/91/99/347229199.db2.gz DMQXOUIPUFIMFF-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN CC1CC(CNC(=O)CNC(C)C)C1 621672861 347229718 /nfs/dbraw/zinc/22/97/18/347229718.db2.gz WNTQKHAHRPNXRS-UHFFFAOYSA-N 0 3 198.310 1.147 20 0 ADADHN CC1CC(CNC(=O)[C@@H](N)C(C)C)C1 621672400 347229944 /nfs/dbraw/zinc/22/99/44/347229944.db2.gz DMBPBALXKZCMPF-RTBKNWGFSA-N 0 3 198.310 1.132 20 0 ADADHN CC1CC(CNC(=O)C2(N)CCC2)C1 621672490 347230151 /nfs/dbraw/zinc/23/01/51/347230151.db2.gz HAWUBZKKHUUSPH-UHFFFAOYSA-N 0 3 196.294 1.030 20 0 ADADHN CC1CC(CNC(=O)[C@H](N)C(C)C)C1 621672401 347230364 /nfs/dbraw/zinc/23/03/64/347230364.db2.gz DMBPBALXKZCMPF-UDNWOFFPSA-N 0 3 198.310 1.132 20 0 ADADHN Cc1nccnc1CN1CCC[C@@H]1C 621716157 347230529 /nfs/dbraw/zinc/23/05/29/347230529.db2.gz TZDUGRIRIRCNFX-VIFPVBQESA-N 0 3 191.278 1.769 20 0 ADADHN CCCN(CC)CC(=O)N1CCCC1 621730102 347230664 /nfs/dbraw/zinc/23/06/64/347230664.db2.gz RSLSVZZUOHUKHB-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CCCN(C)Cc1nccnc1C 621711405 347230743 /nfs/dbraw/zinc/23/07/43/347230743.db2.gz RMVAZVIISOICJK-UHFFFAOYSA-N 0 3 179.267 1.627 20 0 ADADHN Cc1nccnc1CN1CC[C@H](C)C1 621713410 347230892 /nfs/dbraw/zinc/23/08/92/347230892.db2.gz JORQPAUQFWWKRW-VIFPVBQESA-N 0 3 191.278 1.627 20 0 ADADHN Cc1nccnc1CN1CCC[C@H]1C 621716156 347230915 /nfs/dbraw/zinc/23/09/15/347230915.db2.gz TZDUGRIRIRCNFX-SECBINFHSA-N 0 3 191.278 1.769 20 0 ADADHN CCCN(CC)CC(=O)N(C)C1CC1 621730072 347230955 /nfs/dbraw/zinc/23/09/55/347230955.db2.gz NYTDTCCLSDMASV-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN Cc1nccnc1CN(C)CC1CC1 621712518 347231094 /nfs/dbraw/zinc/23/10/94/347231094.db2.gz FJPBGYHOUZHQGS-UHFFFAOYSA-N 0 3 191.278 1.627 20 0 ADADHN Cc1nccnc1CN1CC[C@@H](C)C1 621713409 347231135 /nfs/dbraw/zinc/23/11/35/347231135.db2.gz JORQPAUQFWWKRW-SECBINFHSA-N 0 3 191.278 1.627 20 0 ADADHN Cc1nccnc1CN(C)CC(C)C 621711561 347231155 /nfs/dbraw/zinc/23/11/55/347231155.db2.gz ZAMXZNLUOQNLBO-UHFFFAOYSA-N 0 3 193.294 1.873 20 0 ADADHN C[C@@H](C1CC1)N1CCc2n[nH]cc2C1 623015291 347250885 /nfs/dbraw/zinc/25/08/85/347250885.db2.gz VYXIANRXRVMATN-QMMMGPOBSA-N 0 3 191.278 1.566 20 0 ADADHN C[C@H](C1CC1)N1CCc2n[nH]cc2C1 623015290 347251162 /nfs/dbraw/zinc/25/11/62/347251162.db2.gz VYXIANRXRVMATN-MRVPVSSYSA-N 0 3 191.278 1.566 20 0 ADADHN CCC(CC)N1CCc2n[nH]cc2C1 623240464 347253687 /nfs/dbraw/zinc/25/36/87/347253687.db2.gz LREDSYCXHPTJOC-UHFFFAOYSA-N 0 3 193.294 1.956 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCc2n[nH]cc2C1 623241083 347253710 /nfs/dbraw/zinc/25/37/10/347253710.db2.gz GQBLLTHDXJBTGU-DTWKUNHWSA-N 0 3 191.278 1.424 20 0 ADADHN CC1CC(N2CCc3n[nH]cc3C2)C1 623241483 347253727 /nfs/dbraw/zinc/25/37/27/347253727.db2.gz VMNYKRIQLNICBT-UHFFFAOYSA-N 0 3 191.278 1.566 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCc2n[nH]cc2C1 623241082 347253985 /nfs/dbraw/zinc/25/39/85/347253985.db2.gz GQBLLTHDXJBTGU-BDAKNGLRSA-N 0 3 191.278 1.424 20 0 ADADHN CC1(CN2CCc3n[nH]cc3C2)CC1 623242267 347253996 /nfs/dbraw/zinc/25/39/96/347253996.db2.gz VFUQCUOKGALYMS-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN CCCN(CC)C(=O)[C@@H]1CCCN1C 623219095 347254012 /nfs/dbraw/zinc/25/40/12/347254012.db2.gz UXRHWFXSGIGFTI-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCc2n[nH]cc2C1 623241085 347254021 /nfs/dbraw/zinc/25/40/21/347254021.db2.gz GQBLLTHDXJBTGU-RKDXNWHRSA-N 0 3 191.278 1.424 20 0 ADADHN C[C@H]1C[C@H]1CN1CCc2n[nH]cc2C1 623241084 347254028 /nfs/dbraw/zinc/25/40/28/347254028.db2.gz GQBLLTHDXJBTGU-IUCAKERBSA-N 0 3 191.278 1.424 20 0 ADADHN CCCN(CC)C(=O)[C@H]1CCCN1C 623219096 347254041 /nfs/dbraw/zinc/25/40/41/347254041.db2.gz UXRHWFXSGIGFTI-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(C(=O)CN(C)C(C)C)C1CC1 623347398 347255409 /nfs/dbraw/zinc/25/54/09/347255409.db2.gz CWOCYPOGPZDSHU-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CNC(=O)CN1CCC[C@@H]1CC(C)C 623510484 347257609 /nfs/dbraw/zinc/25/76/09/347257609.db2.gz AQLAIZWPFYFZJU-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CNC(=O)CN1CCC[C@H]1CC(C)C 623510483 347257976 /nfs/dbraw/zinc/25/79/76/347257976.db2.gz AQLAIZWPFYFZJU-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN Cc1c[nH]c(CNCC2CC=CC2)n1 623613102 347259442 /nfs/dbraw/zinc/25/94/42/347259442.db2.gz ZFCFVHKERUUEIA-UHFFFAOYSA-N 0 3 191.278 1.774 20 0 ADADHN Cc1occc1CNC[C@H]1C[C@@H](O)C1 623749219 347263216 /nfs/dbraw/zinc/26/32/16/347263216.db2.gz ZEFXARFBKYIMGU-JGZJWPJOSA-N 0 3 195.262 1.449 20 0 ADADHN O[C@H]1C[C@@H](CNCc2ccco2)C1 623750989 347263272 /nfs/dbraw/zinc/26/32/72/347263272.db2.gz CJUPZCXQOFZQLO-DTORHVGOSA-N 0 3 181.235 1.140 20 0 ADADHN Cc1ccc(CNC[C@H]2C[C@@H](O)C2)o1 623751098 347263381 /nfs/dbraw/zinc/26/33/81/347263381.db2.gz ITSSZNGVLOKMJF-AOOOYVTPSA-N 0 3 195.262 1.449 20 0 ADADHN Cc1ccoc1CNC[C@H]1C[C@@H](O)C1 623749689 347263433 /nfs/dbraw/zinc/26/34/33/347263433.db2.gz NCGUHJYVSLUEKA-AOOOYVTPSA-N 0 3 195.262 1.449 20 0 ADADHN O[C@H]1C[C@@H](CNCc2cncs2)C1 623749806 347263494 /nfs/dbraw/zinc/26/34/94/347263494.db2.gz PZLXSFISRAZSGN-OCAPTIKFSA-N 0 3 198.291 1.004 20 0 ADADHN CO[C@H]1C[C@H](NCc2ccco2)C1 623806660 347264227 /nfs/dbraw/zinc/26/42/27/347264227.db2.gz BTSZJCHDZNKMNR-CZMCAQCFSA-N 0 3 181.235 1.547 20 0 ADADHN CO[C@H]1C[C@H](NCc2ccccn2)C1 623807248 347264742 /nfs/dbraw/zinc/26/47/42/347264742.db2.gz XWNIRDKIEMJHKQ-XYPYZODXSA-N 0 3 192.262 1.349 20 0 ADADHN CO[C@H]1C[C@H](NCc2occc2C)C1 623808185 347264770 /nfs/dbraw/zinc/26/47/70/347264770.db2.gz GXKANQOFJLCAQX-MGCOHNPYSA-N 0 3 195.262 1.855 20 0 ADADHN CO[C@H]1C[C@H](NCc2cccnc2)C1 623807013 347264876 /nfs/dbraw/zinc/26/48/76/347264876.db2.gz PKGCQHVHBDMPAJ-XYPYZODXSA-N 0 3 192.262 1.349 20 0 ADADHN CO[C@H]1C[C@H](NCc2ccoc2C)C1 623808961 347264884 /nfs/dbraw/zinc/26/48/84/347264884.db2.gz LFVMZONOQNFAFD-XYPYZODXSA-N 0 3 195.262 1.855 20 0 ADADHN CO[C@H]1C[C@H](NCc2ccc(C)o2)C1 623806911 347264982 /nfs/dbraw/zinc/26/49/82/347264982.db2.gz LIZNRBBRJYSXCK-HOMQSWHASA-N 0 3 195.262 1.855 20 0 ADADHN CO[C@H]1C[C@H](NCc2cncs2)C1 623808534 347265082 /nfs/dbraw/zinc/26/50/82/347265082.db2.gz WMSWTHFWRZSJIB-ZKCHVHJHSA-N 0 3 198.291 1.410 20 0 ADADHN CO[C@H]1C[C@H](NCc2ccncc2)C1 623806968 347265192 /nfs/dbraw/zinc/26/51/92/347265192.db2.gz NMPWLTYDMKXLKO-XYPYZODXSA-N 0 3 192.262 1.349 20 0 ADADHN COCCN(C)CCc1cccs1 623874086 347266827 /nfs/dbraw/zinc/26/68/27/347266827.db2.gz HRLJBNOASGUJHU-UHFFFAOYSA-N 0 3 199.319 1.869 20 0 ADADHN CCCN1CCC[C@@H]1C(=O)NC(C)C 623946604 347267593 /nfs/dbraw/zinc/26/75/93/347267593.db2.gz YYCSQSMYHRBYPF-SNVBAGLBSA-N 0 3 198.310 1.385 20 0 ADADHN CCCN1CCC[C@H]1C(=O)NC(C)C 623946603 347267873 /nfs/dbraw/zinc/26/78/73/347267873.db2.gz YYCSQSMYHRBYPF-JTQLQIEISA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)N(Cc1cnn(C)c1)C1CC1 624187529 347271757 /nfs/dbraw/zinc/27/17/57/347271757.db2.gz KJTMDNHGVDWPJW-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN CCN(Cc1cnn(C)c1)C1CC1 624187571 347271788 /nfs/dbraw/zinc/27/17/88/347271788.db2.gz XVZQAWMLWFZSKW-UHFFFAOYSA-N 0 3 179.267 1.404 20 0 ADADHN CCCN(CC)Cc1cnn(C)c1 624193305 347271802 /nfs/dbraw/zinc/27/18/02/347271802.db2.gz NEGOXRCAHCORBU-UHFFFAOYSA-N 0 3 181.283 1.652 20 0 ADADHN C[C@H](C1CC1)N(C)Cc1cnn(C)c1 624192613 347271814 /nfs/dbraw/zinc/27/18/14/347271814.db2.gz VVDTVXFRWHFRNV-SECBINFHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H](C1CC1)N(C)Cc1cnn(C)c1 624192614 347271874 /nfs/dbraw/zinc/27/18/74/347271874.db2.gz VVDTVXFRWHFRNV-VIFPVBQESA-N 0 3 193.294 1.650 20 0 ADADHN CCN(CC)Cc1c(C)nn(C)c1C 624184919 347271967 /nfs/dbraw/zinc/27/19/67/347271967.db2.gz COWVKWHDNNYSTN-UHFFFAOYSA-N 0 3 195.310 1.879 20 0 ADADHN CN(Cc1cnn(C)c1)CC1CC1 624190258 347272017 /nfs/dbraw/zinc/27/20/17/347272017.db2.gz HCUDOFTTWJDQQZ-UHFFFAOYSA-N 0 3 179.267 1.262 20 0 ADADHN CCCN(C)Cc1c(C)nn(C)c1C 624195143 347272045 /nfs/dbraw/zinc/27/20/45/347272045.db2.gz OBORTYPQPPPRRU-UHFFFAOYSA-N 0 3 195.310 1.879 20 0 ADADHN Cn1cc(CN2C3CCC2CC3)cn1 624186639 347272051 /nfs/dbraw/zinc/27/20/51/347272051.db2.gz MDFRJVQZZQEJRK-UHFFFAOYSA-N 0 3 191.278 1.547 20 0 ADADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccoc1 624219089 347273883 /nfs/dbraw/zinc/27/38/83/347273883.db2.gz KEOFXOMWBVQVQU-KKZNHRDASA-N 0 3 195.262 1.701 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H](O)C1)c1ccoc1 624219088 347274322 /nfs/dbraw/zinc/27/43/22/347274322.db2.gz KEOFXOMWBVQVQU-ATZCPNFKSA-N 0 3 195.262 1.701 20 0 ADADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccco1 624220019 347274542 /nfs/dbraw/zinc/27/45/42/347274542.db2.gz GYNYZFPMSVNUTK-BBBLOLIVSA-N 0 3 195.262 1.701 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H](O)C1)c1ccco1 624220020 347274959 /nfs/dbraw/zinc/27/49/59/347274959.db2.gz GYNYZFPMSVNUTK-LPEHRKFASA-N 0 3 195.262 1.701 20 0 ADADHN CO[C@H]1C[C@H](N[C@@H](C)c2cn[nH]c2)C1 624300271 347276795 /nfs/dbraw/zinc/27/67/95/347276795.db2.gz BHGFSCICHSIFMH-HGNGGELXSA-N 0 3 195.266 1.238 20 0 ADADHN CO[C@H]1C[C@H](N[C@H](C)c2cn[nH]c2)C1 624300272 347276868 /nfs/dbraw/zinc/27/68/68/347276868.db2.gz BHGFSCICHSIFMH-SZEHBUNVSA-N 0 3 195.266 1.238 20 0 ADADHN CC(C)[C@@H](C)N(C)Cc1cnn(C)c1 624366576 347277744 /nfs/dbraw/zinc/27/77/44/347277744.db2.gz VREYAUWLPDMNDY-SNVBAGLBSA-N 0 3 195.310 1.896 20 0 ADADHN CCN(Cc1cnn(C)c1)CC(C)C 624365622 347277757 /nfs/dbraw/zinc/27/77/57/347277757.db2.gz VBIPCCFNAPZHFI-UHFFFAOYSA-N 0 3 195.310 1.898 20 0 ADADHN CC(C)[C@H](C)N(C)Cc1cnn(C)c1 624366575 347277802 /nfs/dbraw/zinc/27/78/02/347277802.db2.gz VREYAUWLPDMNDY-JTQLQIEISA-N 0 3 195.310 1.896 20 0 ADADHN CC(C)CNC(=O)CN1CC[C@@H](C)C1 624771851 347281172 /nfs/dbraw/zinc/28/11/72/347281172.db2.gz MYKLQRVHIKZNLV-SNVBAGLBSA-N 0 3 198.310 1.100 20 0 ADADHN CCCNC(=O)[C@@H](C)N1CC[C@@H](C)C1 624771827 347281343 /nfs/dbraw/zinc/28/13/43/347281343.db2.gz GXCAXKXQJXXPKY-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCNC(=O)[C@@H](C)N1CC[C@H](C)C1 624771841 347281384 /nfs/dbraw/zinc/28/13/84/347281384.db2.gz GXCAXKXQJXXPKY-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CCCCNC(=O)CN1CC[C@@H](C)C1 624771865 347281454 /nfs/dbraw/zinc/28/14/54/347281454.db2.gz QIARRRRPMLXLNF-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CCCCNC(=O)CN1CC[C@H](C)C1 624771864 347281517 /nfs/dbraw/zinc/28/15/17/347281517.db2.gz QIARRRRPMLXLNF-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)CNC(=O)CN1CC[C@H](C)C1 624771850 347281524 /nfs/dbraw/zinc/28/15/24/347281524.db2.gz MYKLQRVHIKZNLV-JTQLQIEISA-N 0 3 198.310 1.100 20 0 ADADHN CCCNC(=O)[C@H](C)N1CC[C@@H](C)C1 624771842 347281533 /nfs/dbraw/zinc/28/15/33/347281533.db2.gz GXCAXKXQJXXPKY-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CCCNC(=O)[C@H](C)N1CC[C@H](C)C1 624771839 347281593 /nfs/dbraw/zinc/28/15/93/347281593.db2.gz GXCAXKXQJXXPKY-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1cnccc1CN(C)[C@H](C)CO 625269005 347284792 /nfs/dbraw/zinc/28/47/92/347284792.db2.gz YXHPLQJJEQAWGU-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN c1nnsc1CNC1(C2CC2)CC1 625319281 347284830 /nfs/dbraw/zinc/28/48/30/347284830.db2.gz PXWFWSDHCYQWQC-UHFFFAOYSA-N 0 3 195.291 1.570 20 0 ADADHN c1nc2c([nH]1)CN(CCC1CC1)CC2 625437828 347286068 /nfs/dbraw/zinc/28/60/68/347286068.db2.gz UWFXLXGBTVMRCS-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN c1nc2c([nH]1)CN(C1CCCC1)CC2 625437357 347286116 /nfs/dbraw/zinc/28/61/16/347286116.db2.gz PNHZCXYYKHVSBY-UHFFFAOYSA-N 0 3 191.278 1.710 20 0 ADADHN CCC[C@@H](C)N1CCc2nc[nH]c2C1 625435069 347286171 /nfs/dbraw/zinc/28/61/71/347286171.db2.gz MDTNGNSQCPSMNO-SECBINFHSA-N 0 3 193.294 1.956 20 0 ADADHN FCCCCN1CCc2nc[nH]c2C1 625435791 347286198 /nfs/dbraw/zinc/28/61/98/347286198.db2.gz WCEDIOPIZFVGFQ-UHFFFAOYSA-N 0 3 197.257 1.518 20 0 ADADHN CCC[C@H](C)N1CCc2nc[nH]c2C1 625435070 347286249 /nfs/dbraw/zinc/28/62/49/347286249.db2.gz MDTNGNSQCPSMNO-VIFPVBQESA-N 0 3 193.294 1.956 20 0 ADADHN c1nc2c([nH]1)CN(CC1CCC1)CC2 625435182 347286693 /nfs/dbraw/zinc/28/66/93/347286693.db2.gz NXKIELUYQMGVRR-UHFFFAOYSA-N 0 3 191.278 1.568 20 0 ADADHN C[C@@H]1CN(CCO)C[C@@H](C)C1(F)F 625647686 347288960 /nfs/dbraw/zinc/28/89/60/347288960.db2.gz GKELBVWLEOEHIW-HTQZYQBOSA-N 0 3 193.237 1.202 20 0 ADADHN C[C@H]1CN(CCO)C[C@@H](C)C1(F)F 625647688 347289172 /nfs/dbraw/zinc/28/91/72/347289172.db2.gz GKELBVWLEOEHIW-OCAPTIKFSA-N 0 3 193.237 1.202 20 0 ADADHN C[C@H]1CN(CCO)C[C@H](C)C1(F)F 625647691 347289241 /nfs/dbraw/zinc/28/92/41/347289241.db2.gz GKELBVWLEOEHIW-YUMQZZPRSA-N 0 3 193.237 1.202 20 0 ADADHN CC1(C)CCC(C)(C)N(CC(N)=O)C1 625723064 347291130 /nfs/dbraw/zinc/29/11/30/347291130.db2.gz NIVAUCABEXOKKR-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN COCCN1CCCC(F)(F)CC1 625767469 347292114 /nfs/dbraw/zinc/29/21/14/347292114.db2.gz SJHCXJRTNCEQSL-UHFFFAOYSA-N 0 3 193.237 1.754 20 0 ADADHN C1CO[C@H](CN(C2CC2)C2CC2)C1 625837358 347292615 /nfs/dbraw/zinc/29/26/15/347292615.db2.gz NFVKVOYGITYIBQ-NSHDSACASA-N 0 3 181.279 1.792 20 0 ADADHN COCCOCCN(C1CC1)C1CC1 625838822 347293199 /nfs/dbraw/zinc/29/31/99/347293199.db2.gz LCLGINQOGZXSEB-UHFFFAOYSA-N 0 3 199.294 1.276 20 0 ADADHN c1cnn(CCN(C2CC2)C2CC2)c1 625838277 347293205 /nfs/dbraw/zinc/29/32/05/347293205.db2.gz XFHUAXZCMDISPH-UHFFFAOYSA-N 0 3 191.278 1.510 20 0 ADADHN C1CO[C@@H](CN(C2CC2)C2CC2)C1 625837354 347293258 /nfs/dbraw/zinc/29/32/58/347293258.db2.gz NFVKVOYGITYIBQ-LLVKDONJSA-N 0 3 181.279 1.792 20 0 ADADHN CC(C)CCCN1CCC[C@H]1C(N)=O 625869546 347293566 /nfs/dbraw/zinc/29/35/66/347293566.db2.gz UPRFNWRHSBVIKA-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CO[C@@H](C)CN1CCO[C@@H]2CCC[C@@H]21 625853273 347293793 /nfs/dbraw/zinc/29/37/93/347293793.db2.gz XIXAQBOBCRGUOR-GARJFASQSA-N 0 3 199.294 1.275 20 0 ADADHN c1ncc(CN(C2CC2)C2CC2)[nH]1 625843322 347293830 /nfs/dbraw/zinc/29/38/30/347293830.db2.gz SZLAOVUZFXJNOT-UHFFFAOYSA-N 0 3 177.251 1.537 20 0 ADADHN CC(C)=CCCN1CCC[C@H]1C(N)=O 625869469 347293903 /nfs/dbraw/zinc/29/39/03/347293903.db2.gz QAUZENLSFVNGBC-JTQLQIEISA-N 0 3 196.294 1.292 20 0 ADADHN NC(=O)[C@@H]1CCCN1CCC1CCC1 625869502 347293913 /nfs/dbraw/zinc/29/39/13/347293913.db2.gz SISDDDBSCSRXBD-JTQLQIEISA-N 0 3 196.294 1.126 20 0 ADADHN CO[C@H](C)CN1CCO[C@@H]2CCC[C@@H]21 625853274 347293994 /nfs/dbraw/zinc/29/39/94/347293994.db2.gz XIXAQBOBCRGUOR-OUAUKWLOSA-N 0 3 199.294 1.275 20 0 ADADHN COCCCN1CCO[C@@H]2CCC[C@@H]21 625850602 347294006 /nfs/dbraw/zinc/29/40/06/347294006.db2.gz ZTLKBZURXXVUAJ-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN NC(=O)[C@@H]1CCCN1CC1=CCCC1 625869221 347294067 /nfs/dbraw/zinc/29/40/67/347294067.db2.gz AUIDHJMHUJLEGO-JTQLQIEISA-N 0 3 194.278 1.046 20 0 ADADHN CC/C=C/CCN1CCC[C@H]1C(N)=O 625870500 347294419 /nfs/dbraw/zinc/29/44/19/347294419.db2.gz TXVMUCUYSBCQDR-FSIBCCDJSA-N 0 3 196.294 1.292 20 0 ADADHN CC/C=C\CCN1CCC[C@H]1C(N)=O 625870501 347294779 /nfs/dbraw/zinc/29/47/79/347294779.db2.gz TXVMUCUYSBCQDR-XOULXFPDSA-N 0 3 196.294 1.292 20 0 ADADHN CCC(=O)N(CC)C1CCN(C)CC1 627621513 347305479 /nfs/dbraw/zinc/30/54/79/347305479.db2.gz XVYHDGJGQLLEGR-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCNCc1cnc(C2CC2)o1 628198733 347309286 /nfs/dbraw/zinc/30/92/86/347309286.db2.gz JDZPXLUXNQOVTP-UHFFFAOYSA-N 0 3 166.224 1.662 20 0 ADADHN Cc1ncc(CNC2CC=CC2)o1 628229329 347312803 /nfs/dbraw/zinc/31/28/03/347312803.db2.gz RDTMFMJZDOGPMU-UHFFFAOYSA-N 0 3 178.235 1.791 20 0 ADADHN FCCNCc1cccc2n[nH]cc12 628258951 347314101 /nfs/dbraw/zinc/31/41/01/347314101.db2.gz ZVQYQBDBCMKOPU-UHFFFAOYSA-N 0 3 193.225 1.622 20 0 ADADHN Cc1c[nH]c(CN2CC[C@@H]3C[C@@H]3C2)n1 628349376 347315333 /nfs/dbraw/zinc/31/53/33/347315333.db2.gz HGCBOUXXJXWGIO-NXEZZACHSA-N 0 3 191.278 1.560 20 0 ADADHN Cc1c[nH]c(CN2CC[C@H]3C[C@H]3C2)n1 628349377 347315414 /nfs/dbraw/zinc/31/54/14/347315414.db2.gz HGCBOUXXJXWGIO-UWVGGRQHSA-N 0 3 191.278 1.560 20 0 ADADHN c1ccc(CN2C[C@H]3C[C@H]3C2)nc1 628408408 347316224 /nfs/dbraw/zinc/31/62/24/347316224.db2.gz ZNIMBZGQGVUQHU-AOOOYVTPSA-N 0 3 174.247 1.533 20 0 ADADHN c1cncc(CN2C[C@H]3C[C@H]3C2)c1 628408220 347316260 /nfs/dbraw/zinc/31/62/60/347316260.db2.gz VUEULHWIBAELRR-PHIMTYICSA-N 0 3 174.247 1.533 20 0 ADADHN Cc1noc(C)c1CN1C[C@H]2C[C@H]2C1 628408070 347316294 /nfs/dbraw/zinc/31/62/94/347316294.db2.gz SQERFTCIQPNCHW-AOOOYVTPSA-N 0 3 192.262 1.743 20 0 ADADHN c1cc(CN2C[C@H]3C[C@H]3C2)ccn1 628408207 347316323 /nfs/dbraw/zinc/31/63/23/347316323.db2.gz VPZOJTRFLJNEHE-PHIMTYICSA-N 0 3 174.247 1.533 20 0 ADADHN c1coc(CN2C[C@H]3C[C@H]3C2)c1 628407759 347316350 /nfs/dbraw/zinc/31/63/50/347316350.db2.gz MOJCAOIWLANEPM-DTORHVGOSA-N 0 3 163.220 1.731 20 0 ADADHN Cc1ncsc1CN1C[C@H]2C[C@H]2C1 628409757 347316982 /nfs/dbraw/zinc/31/69/82/347316982.db2.gz YVPMZENLYNKOJU-DTORHVGOSA-N 0 3 194.303 1.903 20 0 ADADHN Cc1nn(C)cc1CN1C[C@H]2C[C@H]2C1 628409159 347316857 /nfs/dbraw/zinc/31/68/57/347316857.db2.gz NBCXKAQBCTULMI-AOOOYVTPSA-N 0 3 191.278 1.180 20 0 ADADHN Cc1c(CN2C[C@H]3C[C@H]3C2)cnn1C 628409275 347316961 /nfs/dbraw/zinc/31/69/61/347316961.db2.gz PANAXMMQKNBKML-AOOOYVTPSA-N 0 3 191.278 1.180 20 0 ADADHN Cc1n[nH]c(C)c1CN1C[C@H]2C[C@H]2C1 628408976 347316971 /nfs/dbraw/zinc/31/69/71/347316971.db2.gz JZZUTIRCIYUKNW-AOOOYVTPSA-N 0 3 191.278 1.478 20 0 ADADHN Cc1ccc(CN2C[C@H]3C[C@H]3C2)nc1 628409356 347316995 /nfs/dbraw/zinc/31/69/95/347316995.db2.gz QNADVBKDTLEUMN-PHIMTYICSA-N 0 3 188.274 1.842 20 0 ADADHN Cc1n[nH]cc1CN1C[C@H]2C[C@H]2C1 628409079 347317018 /nfs/dbraw/zinc/31/70/18/347317018.db2.gz LPMJWGKDPWJJGE-DTORHVGOSA-N 0 3 177.251 1.170 20 0 ADADHN CCn1nccc1CN1C[C@H]2C[C@H]2C1 628409319 347317057 /nfs/dbraw/zinc/31/70/57/347317057.db2.gz PTXNOUGGQKBPMM-AOOOYVTPSA-N 0 3 191.278 1.355 20 0 ADADHN CCn1cncc1CN1C[C@H]2C[C@H]2C1 628410552 347317348 /nfs/dbraw/zinc/31/73/48/347317348.db2.gz NODATMCBZLFHRA-AOOOYVTPSA-N 0 3 191.278 1.355 20 0 ADADHN C=Cn1cc(CN2C[C@H]3C[C@H]3C2)cn1 628410952 347317628 /nfs/dbraw/zinc/31/76/28/347317628.db2.gz VRHVGGPVWZEOSD-PHIMTYICSA-N 0 3 189.262 1.435 20 0 ADADHN Cc1ncccc1CNC1CSC1 628452327 347317999 /nfs/dbraw/zinc/31/79/99/347317999.db2.gz YVONPOWQFFNJIJ-UHFFFAOYSA-N 0 3 194.303 1.595 20 0 ADADHN c1cc(-c2ccc3c(c2)CCNC3)n[nH]1 629717227 347356964 /nfs/dbraw/zinc/35/69/64/347356964.db2.gz MBLXBISOEVITAW-UHFFFAOYSA-N 0 3 199.257 1.722 20 0 ADADHN CCCN(C)C(=O)CN(C)C1CCC1 629953129 347358397 /nfs/dbraw/zinc/35/83/97/347358397.db2.gz OIGXVTSQSVDYOW-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC1(F)CCN(Cc2cnc[nH]2)CC1 630072523 347359231 /nfs/dbraw/zinc/35/92/31/347359231.db2.gz PZJFJGIOSUILGV-UHFFFAOYSA-N 0 3 197.257 1.734 20 0 ADADHN Cc1ccc(CNC[C@H](C)O)c(F)c1 631030120 347375550 /nfs/dbraw/zinc/37/55/50/347375550.db2.gz NBRAVNVTIHSEIE-VIFPVBQESA-N 0 3 197.253 1.605 20 0 ADADHN Cc1ccc(CNC[C@@H](C)O)c(F)c1 631030119 347375670 /nfs/dbraw/zinc/37/56/70/347375670.db2.gz NBRAVNVTIHSEIE-SECBINFHSA-N 0 3 197.253 1.605 20 0 ADADHN C[C@H](CF)NCc1ccc(=O)[nH]c1 631136746 347376087 /nfs/dbraw/zinc/37/60/87/347376087.db2.gz OTAFLFLJIWZVNG-SSDOTTSWSA-N 0 3 184.214 1.235 20 0 ADADHN C[C@@H](CF)NCc1ccc(=O)[nH]c1 631136749 347376295 /nfs/dbraw/zinc/37/62/95/347376295.db2.gz OTAFLFLJIWZVNG-ZETCQYMHSA-N 0 3 184.214 1.235 20 0 ADADHN CC(C)=CCNCc1ccc(=O)[nH]c1 631121591 347376492 /nfs/dbraw/zinc/37/64/92/347376492.db2.gz QXDWSKXYCLYXMC-UHFFFAOYSA-N 0 3 192.262 1.843 20 0 ADADHN CC/C=C/CNCc1ccc(=O)[nH]c1 631150222 347377073 /nfs/dbraw/zinc/37/70/73/347377073.db2.gz NLVNLKGTBIKIRM-ONEGZZNKSA-N 0 3 192.262 1.843 20 0 ADADHN CCC[C@H](CCO)NCc1cc[nH]n1 631196073 347378429 /nfs/dbraw/zinc/37/84/29/347378429.db2.gz GHILPKVKIHSDDS-SECBINFHSA-N 0 3 197.282 1.050 20 0 ADADHN CCC[C@H](CCO)NCc1ncc[nH]1 631195716 347378450 /nfs/dbraw/zinc/37/84/50/347378450.db2.gz BMYZEFRIVUBWMQ-SECBINFHSA-N 0 3 197.282 1.050 20 0 ADADHN OC[C@H]1C[C@@H](NCc2cncs2)C1 631198501 347378455 /nfs/dbraw/zinc/37/84/55/347378455.db2.gz RYQOMKXEACQFHP-OCAPTIKFSA-N 0 3 198.291 1.004 20 0 ADADHN CCC[C@H](CCO)NCc1ccco1 631197787 347378482 /nfs/dbraw/zinc/37/84/82/347378482.db2.gz YJXCTBYFCPCFPK-SNVBAGLBSA-N 0 3 197.278 1.920 20 0 ADADHN Cc1occc1CN[C@H]1C[C@@H](CO)C1 631198086 347378572 /nfs/dbraw/zinc/37/85/72/347378572.db2.gz OIGWSIOGEZAPDZ-JGZJWPJOSA-N 0 3 195.262 1.449 20 0 ADADHN CCC[C@@H](CCO)NCc1cc[nH]n1 631196074 347378673 /nfs/dbraw/zinc/37/86/73/347378673.db2.gz GHILPKVKIHSDDS-VIFPVBQESA-N 0 3 197.282 1.050 20 0 ADADHN CCC[C@@H](CCO)NCc1ncc[nH]1 631195717 347378752 /nfs/dbraw/zinc/37/87/52/347378752.db2.gz BMYZEFRIVUBWMQ-VIFPVBQESA-N 0 3 197.282 1.050 20 0 ADADHN CCC[C@@H](CCO)NCc1ccco1 631197786 347378801 /nfs/dbraw/zinc/37/88/01/347378801.db2.gz YJXCTBYFCPCFPK-JTQLQIEISA-N 0 3 197.278 1.920 20 0 ADADHN OC[C@H]1C[C@@H](NCc2ccsc2)C1 631199155 347379222 /nfs/dbraw/zinc/37/92/22/347379222.db2.gz NNAAWOZMRFCQST-AOOOYVTPSA-N 0 3 197.303 1.609 20 0 ADADHN OC[C@H]1C[C@@H](NCc2ccco2)C1 631200845 347379637 /nfs/dbraw/zinc/37/96/37/347379637.db2.gz RTQFXEOOUMDFNL-DTORHVGOSA-N 0 3 181.235 1.140 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@@H](CO)C2)o1 631199237 347379727 /nfs/dbraw/zinc/37/97/27/347379727.db2.gz PGHVCJLDAWJCQK-AOOOYVTPSA-N 0 3 195.262 1.449 20 0 ADADHN Cc1ccoc1CN[C@H]1C[C@@H](CO)C1 631198802 347379742 /nfs/dbraw/zinc/37/97/42/347379742.db2.gz MEUIQPPPMLUHFT-AOOOYVTPSA-N 0 3 195.262 1.449 20 0 ADADHN COC[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F 631259665 347380079 /nfs/dbraw/zinc/38/00/79/347380079.db2.gz ADQCOMNTVGJDGM-RRKCRQDMSA-N 0 3 197.200 1.562 20 0 ADADHN FC(F)(F)[C@@H]1C[C@H]1N[C@@H]1CCOC1 631260109 347380282 /nfs/dbraw/zinc/38/02/82/347380282.db2.gz IQTCBINGCRFPSQ-FSDSQADBSA-N 0 3 195.184 1.316 20 0 ADADHN FC(F)(F)[C@@H]1C[C@H]1N[C@H]1CCOC1 631260110 347380300 /nfs/dbraw/zinc/38/03/00/347380300.db2.gz IQTCBINGCRFPSQ-RRKCRQDMSA-N 0 3 195.184 1.316 20 0 ADADHN COC[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F 631259664 347380385 /nfs/dbraw/zinc/38/03/85/347380385.db2.gz ADQCOMNTVGJDGM-FSDSQADBSA-N 0 3 197.200 1.562 20 0 ADADHN OCCN[C@@H]1CCCc2ncccc21 631587661 347383071 /nfs/dbraw/zinc/38/30/71/347383071.db2.gz VQNAHQPRDXYFNR-LLVKDONJSA-N 0 3 192.262 1.041 20 0 ADADHN OCCN[C@H]1CCCc2ncccc21 631587664 347383723 /nfs/dbraw/zinc/38/37/23/347383723.db2.gz VQNAHQPRDXYFNR-NSHDSACASA-N 0 3 192.262 1.041 20 0 ADADHN FCCN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 631626143 347383808 /nfs/dbraw/zinc/38/38/08/347383808.db2.gz UKSMAZLPUKTAGS-GUBZILKMSA-N 0 3 199.269 1.503 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](CO)C1)c1ccoc1 631668633 347385613 /nfs/dbraw/zinc/38/56/13/347385613.db2.gz CNVSPSIOBQMZER-KKZNHRDASA-N 0 3 195.262 1.701 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](CO)C1)c1ccoc1 631668632 347385619 /nfs/dbraw/zinc/38/56/19/347385619.db2.gz CNVSPSIOBQMZER-ATZCPNFKSA-N 0 3 195.262 1.701 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](CO)C1)c1ccco1 631668015 347385667 /nfs/dbraw/zinc/38/56/67/347385667.db2.gz IXHYSWUMBPCRSY-BBBLOLIVSA-N 0 3 195.262 1.701 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](CO)C1)c1ccco1 631668016 347385931 /nfs/dbraw/zinc/38/59/31/347385931.db2.gz IXHYSWUMBPCRSY-LPEHRKFASA-N 0 3 195.262 1.701 20 0 ADADHN CC(C)N[C@H](C)[C@@H](O)C(F)(F)F 631718479 347386407 /nfs/dbraw/zinc/38/64/07/347386407.db2.gz IXXFQTAVUAQKSE-PHDIDXHHSA-N 0 3 185.189 1.296 20 0 ADADHN CC(C)N[C@@H](C)[C@@H](O)C(F)(F)F 631718472 347386497 /nfs/dbraw/zinc/38/64/97/347386497.db2.gz IXXFQTAVUAQKSE-NTSWFWBYSA-N 0 3 185.189 1.296 20 0 ADADHN CC(C)N[C@@H](C)[C@H](O)C(F)(F)F 631718481 347387321 /nfs/dbraw/zinc/38/73/21/347387321.db2.gz IXXFQTAVUAQKSE-WDSKDSINSA-N 0 3 185.189 1.296 20 0 ADADHN CC(C)N[C@H](C)[C@H](O)C(F)(F)F 631718480 347387341 /nfs/dbraw/zinc/38/73/41/347387341.db2.gz IXXFQTAVUAQKSE-RITPCOANSA-N 0 3 185.189 1.296 20 0 ADADHN Cc1sccc1NC(=O)C(C)(C)N 632881715 347399066 /nfs/dbraw/zinc/39/90/66/347399066.db2.gz XNMHTRBYEJYJPP-UHFFFAOYSA-N 0 3 198.291 1.732 20 0 ADADHN CN(C)Cc1cccc(NCCO)c1 634574101 347414246 /nfs/dbraw/zinc/41/42/46/347414246.db2.gz UMHOKCNUFLFTOU-UHFFFAOYSA-N 0 3 194.278 1.152 20 0 ADADHN Cc1nn(CCN(C)C)c2c1CCC2 634590058 347417466 /nfs/dbraw/zinc/41/74/66/347417466.db2.gz PADRCYJSXIGHEG-UHFFFAOYSA-N 0 3 193.294 1.242 20 0 ADADHN c1coc(CN2C[C@H]3COC[C@H]3C2)c1 634746941 347426896 /nfs/dbraw/zinc/42/68/96/347426896.db2.gz RONXLOUILFSQQO-AOOOYVTPSA-N 0 3 193.246 1.358 20 0 ADADHN C[C@@H](CNCc1ccon1)C1CC1 634955961 347428985 /nfs/dbraw/zinc/42/89/85/347428985.db2.gz VDYFWGRUUCMVQE-QMMMGPOBSA-N 0 3 180.251 1.810 20 0 ADADHN C[C@H](CNCc1ccon1)C1CC1 634955960 347429242 /nfs/dbraw/zinc/42/92/42/347429242.db2.gz VDYFWGRUUCMVQE-MRVPVSSYSA-N 0 3 180.251 1.810 20 0 ADADHN CN(C)C(C)(C)CNCc1ccon1 634949617 347429165 /nfs/dbraw/zinc/42/91/65/347429165.db2.gz WBTISDDNEWIZGO-UHFFFAOYSA-N 0 3 197.282 1.104 20 0 ADADHN CC(C)N(C)CCNCc1ccon1 634958108 347429363 /nfs/dbraw/zinc/42/93/63/347429363.db2.gz HKKQRKDKGHBSFM-UHFFFAOYSA-N 0 3 197.282 1.104 20 0 ADADHN C[C@H](CCCO)CNCc1ccon1 634982770 347430961 /nfs/dbraw/zinc/43/09/61/347430961.db2.gz VEGXCIXDDSMNBF-SECBINFHSA-N 0 3 198.266 1.173 20 0 ADADHN C[C@@H](CCCO)CNCc1ccon1 634982771 347431370 /nfs/dbraw/zinc/43/13/70/347431370.db2.gz VEGXCIXDDSMNBF-VIFPVBQESA-N 0 3 198.266 1.173 20 0 ADADHN C1=CCC(CNCc2ccon2)C1 634987055 347431820 /nfs/dbraw/zinc/43/18/20/347431820.db2.gz LBWQKJQABSCFKZ-UHFFFAOYSA-N 0 3 178.235 1.730 20 0 ADADHN COCC[C@H](C)CNCc1ccon1 634984112 347431952 /nfs/dbraw/zinc/43/19/52/347431952.db2.gz HPTVZRSSIIXRHA-VIFPVBQESA-N 0 3 198.266 1.437 20 0 ADADHN COCC[C@@H](C)CNCc1ccon1 634984111 347431979 /nfs/dbraw/zinc/43/19/79/347431979.db2.gz HPTVZRSSIIXRHA-SECBINFHSA-N 0 3 198.266 1.437 20 0 ADADHN CN(C)C(=O)[C@H]1CCN1C1CCCC1 635203133 347439601 /nfs/dbraw/zinc/43/96/01/347439601.db2.gz JDWKGLVICSCLKN-SNVBAGLBSA-N 0 3 196.294 1.092 20 0 ADADHN CN(C)C(=O)[C@@H]1CCN1C1CCCC1 635203131 347439830 /nfs/dbraw/zinc/43/98/30/347439830.db2.gz JDWKGLVICSCLKN-JTQLQIEISA-N 0 3 196.294 1.092 20 0 ADADHN CC(C)NC(=O)CN1C2CCC1CC2 635900211 347450532 /nfs/dbraw/zinc/45/05/32/347450532.db2.gz CRIQBFFDGOWVKV-UHFFFAOYSA-N 0 3 196.294 1.138 20 0 ADADHN CCCNC(=O)CN(C)[C@@H](C)C1CC1 635996616 347452859 /nfs/dbraw/zinc/45/28/59/347452859.db2.gz ZUOYEWTVOZJYCZ-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)NC(=O)CN(C)[C@H](C)C1CC1 635999797 347452901 /nfs/dbraw/zinc/45/29/01/347452901.db2.gz VHGNIQJFZOULSW-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CCCNC(=O)CN(C)[C@H](C)C1CC1 635996615 347452986 /nfs/dbraw/zinc/45/29/86/347452986.db2.gz ZUOYEWTVOZJYCZ-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)NC(=O)CN(C)[C@@H](C)C1CC1 635999799 347453215 /nfs/dbraw/zinc/45/32/15/347453215.db2.gz VHGNIQJFZOULSW-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CCCCN(C)C(=O)[C@H](C)NCC 637868484 347466587 /nfs/dbraw/zinc/46/65/87/347466587.db2.gz CKKXKCXALAVXFO-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCCCN(C)C(=O)[C@@H](C)NCC 637868474 347466595 /nfs/dbraw/zinc/46/65/95/347466595.db2.gz CKKXKCXALAVXFO-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCCNC(=O)[C@H](N)CCC(C)C 637877795 347467286 /nfs/dbraw/zinc/46/72/86/347467286.db2.gz ZEPHWEQRHJXKKC-SECBINFHSA-N 0 3 186.299 1.276 20 0 ADADHN CCCNC(=O)[C@@H](N)CCC(C)C 637877796 347467301 /nfs/dbraw/zinc/46/73/01/347467301.db2.gz ZEPHWEQRHJXKKC-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN CC(C)CC[C@H](N)C(=O)NC1CC1 637872687 347467315 /nfs/dbraw/zinc/46/73/15/347467315.db2.gz RNIDVRCFLXIRQX-VIFPVBQESA-N 0 3 184.283 1.029 20 0 ADADHN CCN[C@H](C)C(=O)N1CCCC[C@@H]1C 637874590 347467446 /nfs/dbraw/zinc/46/74/46/347467446.db2.gz JNTJRRXJGRSWKK-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCCC[C@H]1C 637874591 347467453 /nfs/dbraw/zinc/46/74/53/347467453.db2.gz JNTJRRXJGRSWKK-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)CC[C@@H](N)C(=O)NC1CC1 637872686 347467468 /nfs/dbraw/zinc/46/74/68/347467468.db2.gz RNIDVRCFLXIRQX-SECBINFHSA-N 0 3 184.283 1.029 20 0 ADADHN CCN[C@H](C)C(=O)N1CCCC[C@H]1C 637874582 347467493 /nfs/dbraw/zinc/46/74/93/347467493.db2.gz JNTJRRXJGRSWKK-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCCC[C@@H]1C 637874589 347467550 /nfs/dbraw/zinc/46/75/50/347467550.db2.gz JNTJRRXJGRSWKK-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)N(C)CC(C)C 637909134 347468686 /nfs/dbraw/zinc/46/86/86/347468686.db2.gz OZWOXQZXWKDMSV-SECBINFHSA-N 0 3 186.299 1.099 20 0 ADADHN CCC[C@@H](CN(C)CCOC)OC 637893956 347468720 /nfs/dbraw/zinc/46/87/20/347468720.db2.gz YRVHZWRIARMANY-JTQLQIEISA-N 0 3 189.299 1.380 20 0 ADADHN CCN[C@@H](C)C(=O)NCC(C)(C)C 637908597 347468753 /nfs/dbraw/zinc/46/87/53/347468753.db2.gz AAHFMSMOTWPQJP-QMMMGPOBSA-N 0 3 186.299 1.147 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)CC(C)C 637909135 347468782 /nfs/dbraw/zinc/46/87/82/347468782.db2.gz OZWOXQZXWKDMSV-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)CC[C@H](N)C(=O)NCC1CC1 637900711 347468793 /nfs/dbraw/zinc/46/87/93/347468793.db2.gz FIAQIXBJJYZLNW-JTQLQIEISA-N 0 3 198.310 1.276 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)C1CCCC1 637895775 347468821 /nfs/dbraw/zinc/46/88/21/347468821.db2.gz FUYRBQFIIXQVAK-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)N(C)C1CCCC1 637895774 347468930 /nfs/dbraw/zinc/46/89/30/347468930.db2.gz FUYRBQFIIXQVAK-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)NCC(C)(C)C 637908596 347468962 /nfs/dbraw/zinc/46/89/62/347468962.db2.gz AAHFMSMOTWPQJP-MRVPVSSYSA-N 0 3 186.299 1.147 20 0 ADADHN CCCN(CC)C(=O)[C@H](C)NCC 637907543 347468973 /nfs/dbraw/zinc/46/89/73/347468973.db2.gz PBDJSAJNFRFUGS-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CC(C)CC[C@@H](N)C(=O)NCC1CC1 637900712 347469088 /nfs/dbraw/zinc/46/90/88/347469088.db2.gz FIAQIXBJJYZLNW-SNVBAGLBSA-N 0 3 198.310 1.276 20 0 ADADHN CCCN(CC)C(=O)[C@@H](C)NCC 637907542 347469094 /nfs/dbraw/zinc/46/90/94/347469094.db2.gz PBDJSAJNFRFUGS-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCC[C@H](CN(C)CCOC)OC 637893957 347469110 /nfs/dbraw/zinc/46/91/10/347469110.db2.gz YRVHZWRIARMANY-SNVBAGLBSA-N 0 3 189.299 1.380 20 0 ADADHN CCN[C@@H](C)C(=O)NCC1CCCC1 637919432 347469454 /nfs/dbraw/zinc/46/94/54/347469454.db2.gz YVYXRCPXSUJYGR-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CCN[C@H](C)C(=O)NCC1CCCC1 637919431 347469569 /nfs/dbraw/zinc/46/95/69/347469569.db2.gz YVYXRCPXSUJYGR-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CN(Cc1ccc(=O)[nH]c1)C1CC1 637910378 347469849 /nfs/dbraw/zinc/46/98/49/347469849.db2.gz MMBBZGWQNRJUDX-UHFFFAOYSA-N 0 3 178.235 1.381 20 0 ADADHN CC(C)CC[C@@H](N)C(=O)N(C)C1CC1 637922928 347470487 /nfs/dbraw/zinc/47/04/87/347470487.db2.gz WLXLVGUCLIDMID-SNVBAGLBSA-N 0 3 198.310 1.371 20 0 ADADHN CCN[C@@H](C)C(=O)NC1(C)CCCC1 637937219 347470240 /nfs/dbraw/zinc/47/02/40/347470240.db2.gz PYBZJLMKWRVIPB-VIFPVBQESA-N 0 3 198.310 1.433 20 0 ADADHN CCN[C@H](C)C(=O)NC1(C)CCCC1 637937218 347470278 /nfs/dbraw/zinc/47/02/78/347470278.db2.gz PYBZJLMKWRVIPB-SECBINFHSA-N 0 3 198.310 1.433 20 0 ADADHN CC(C)CC[C@H](N)C(=O)N(C)C1CC1 637922927 347470302 /nfs/dbraw/zinc/47/03/02/347470302.db2.gz WLXLVGUCLIDMID-JTQLQIEISA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)CC[C@H](N)C(=O)NC1CCC1 637925651 347470334 /nfs/dbraw/zinc/47/03/34/347470334.db2.gz AZXFSQKJZBCPIT-JTQLQIEISA-N 0 3 198.310 1.419 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)[C@H](C)CC 637936065 347470368 /nfs/dbraw/zinc/47/03/68/347470368.db2.gz NNWNPMHVKBDQOK-BDAKNGLRSA-N 0 3 186.299 1.241 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)[C@@H](C)CC 637936067 347470418 /nfs/dbraw/zinc/47/04/18/347470418.db2.gz NNWNPMHVKBDQOK-IUCAKERBSA-N 0 3 186.299 1.241 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)[C@H](C)C1CC1 637928145 347470425 /nfs/dbraw/zinc/47/04/25/347470425.db2.gz UUKOOTWOQMPSSD-DTWKUNHWSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CC[C@@H](N)C(=O)NC1CCC1 637925652 347470446 /nfs/dbraw/zinc/47/04/46/347470446.db2.gz AZXFSQKJZBCPIT-SNVBAGLBSA-N 0 3 198.310 1.419 20 0 ADADHN CCN[C@H](C)C(=O)N(C)[C@@H](C)CC 637936066 347470455 /nfs/dbraw/zinc/47/04/55/347470455.db2.gz NNWNPMHVKBDQOK-DTWKUNHWSA-N 0 3 186.299 1.241 20 0 ADADHN CCN[C@@H](C)C(=O)N(C(C)C)C1CC1 637930906 347470523 /nfs/dbraw/zinc/47/05/23/347470523.db2.gz VMQYMUDNRHBGIF-VIFPVBQESA-N 0 3 198.310 1.384 20 0 ADADHN CCN[C@H](C)C(=O)N(C(C)C)C1CC1 637930905 347470554 /nfs/dbraw/zinc/47/05/54/347470554.db2.gz VMQYMUDNRHBGIF-SECBINFHSA-N 0 3 198.310 1.384 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)[C@@H](C)C1CC1 637928146 347470626 /nfs/dbraw/zinc/47/06/26/347470626.db2.gz UUKOOTWOQMPSSD-IUCAKERBSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@H](C)C(=O)N(C)[C@H](C)CC 637936068 347470734 /nfs/dbraw/zinc/47/07/34/347470734.db2.gz NNWNPMHVKBDQOK-RKDXNWHRSA-N 0 3 186.299 1.241 20 0 ADADHN CCN[C@H](C)C(=O)N(C)[C@H](C)C1CC1 637928147 347470740 /nfs/dbraw/zinc/47/07/40/347470740.db2.gz UUKOOTWOQMPSSD-RKDXNWHRSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@H](C)C(=O)NC[C@@H](C)C1CC1 637951361 347471074 /nfs/dbraw/zinc/47/10/74/347471074.db2.gz LGNVUHQKUYNSRD-RKDXNWHRSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@@H](C)C(=O)NC[C@H](C)C1CC1 637951360 347471226 /nfs/dbraw/zinc/47/12/26/347471226.db2.gz LGNVUHQKUYNSRD-IUCAKERBSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCC[C@@H]1CC 637945087 347471355 /nfs/dbraw/zinc/47/13/55/347471355.db2.gz PMZVBJJMGMTUMG-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)N1CCC[C@H]1CC 637945086 347471561 /nfs/dbraw/zinc/47/15/61/347471561.db2.gz PMZVBJJMGMTUMG-NXEZZACHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCC[C@H]1CC 637945088 347471507 /nfs/dbraw/zinc/47/15/07/347471507.db2.gz PMZVBJJMGMTUMG-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)NC[C@H](C)C1CC1 637951359 347471514 /nfs/dbraw/zinc/47/15/14/347471514.db2.gz LGNVUHQKUYNSRD-DTWKUNHWSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@H](C)C(=O)N1CCC[C@@H]1CC 637945089 347471550 /nfs/dbraw/zinc/47/15/50/347471550.db2.gz PMZVBJJMGMTUMG-ZJUUUORDSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@@H](C)C(=O)NC[C@@H](C)C1CC1 637951358 347471663 /nfs/dbraw/zinc/47/16/63/347471663.db2.gz LGNVUHQKUYNSRD-BDAKNGLRSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@H](C)C(=O)NC[C@@H]1CC1(C)C 637996282 347471952 /nfs/dbraw/zinc/47/19/52/347471952.db2.gz NOVYDJFAPNHUDD-BDAKNGLRSA-N 0 3 198.310 1.147 20 0 ADADHN C[C@H]1CCN(Cc2ccns2)C1 637970312 347471922 /nfs/dbraw/zinc/47/19/22/347471922.db2.gz LYEVXUJWEKEIEX-QMMMGPOBSA-N 0 3 182.292 1.985 20 0 ADADHN CCN[C@@H](C)C(=O)NCC1(CC)CC1 637993311 347472402 /nfs/dbraw/zinc/47/24/02/347472402.db2.gz YLGXSHUHKXHISG-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CCN[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C 637983054 347471975 /nfs/dbraw/zinc/47/19/75/347471975.db2.gz IIYBXEGYOSRODY-OPRDCNLKSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@@H]1CCN(Cc2ccns2)C1 637970311 347472121 /nfs/dbraw/zinc/47/21/21/347472121.db2.gz LYEVXUJWEKEIEX-MRVPVSSYSA-N 0 3 182.292 1.985 20 0 ADADHN CCN[C@@H](C)C(=O)NC[C@H]1CC1(C)C 637996283 347472134 /nfs/dbraw/zinc/47/21/34/347472134.db2.gz NOVYDJFAPNHUDD-DTWKUNHWSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@H](C)C(=O)NC[C@H]1CC1(C)C 637996285 347472143 /nfs/dbraw/zinc/47/21/43/347472143.db2.gz NOVYDJFAPNHUDD-RKDXNWHRSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C 637983053 347472205 /nfs/dbraw/zinc/47/22/05/347472205.db2.gz IIYBXEGYOSRODY-IVZWLZJFSA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@H](C)C(=O)Nc1ccsc1 638003405 347472215 /nfs/dbraw/zinc/47/22/15/347472215.db2.gz IKQWOCQJGJJNNV-SSDOTTSWSA-N 0 3 198.291 1.685 20 0 ADADHN CCN[C@H](C)C(=O)N[C@H]1CCC[C@H]1C 637983052 347472236 /nfs/dbraw/zinc/47/22/36/347472236.db2.gz IIYBXEGYOSRODY-BBBLOLIVSA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@@H](C)C(=O)N1CCC(C)(C)C1 637991443 347472254 /nfs/dbraw/zinc/47/22/54/347472254.db2.gz MLKZNAFLTFEHGE-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@@H](C)C(=O)NC[C@@H]1CC1(C)C 637996284 347472300 /nfs/dbraw/zinc/47/23/00/347472300.db2.gz NOVYDJFAPNHUDD-IUCAKERBSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@H](C)C(=O)N1CCC(C)(C)C1 637991441 347472307 /nfs/dbraw/zinc/47/23/07/347472307.db2.gz MLKZNAFLTFEHGE-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C 637983051 347472331 /nfs/dbraw/zinc/47/23/31/347472331.db2.gz IIYBXEGYOSRODY-AEJSXWLSSA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@@H](C)C(=O)N(CC)CC1CC1 637996925 347472345 /nfs/dbraw/zinc/47/23/45/347472345.db2.gz NOKYLYSXZWJLBT-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@H](C)C(=O)NCC1(CC)CC1 637993310 347472357 /nfs/dbraw/zinc/47/23/57/347472357.db2.gz YLGXSHUHKXHISG-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CCN[C@@H](C)C(=O)Nc1ccsc1 638003406 347472413 /nfs/dbraw/zinc/47/24/13/347472413.db2.gz IKQWOCQJGJJNNV-ZETCQYMHSA-N 0 3 198.291 1.685 20 0 ADADHN CCN[C@H](C)C(=O)N(CC)CC1CC1 637996924 347472420 /nfs/dbraw/zinc/47/24/20/347472420.db2.gz NOKYLYSXZWJLBT-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@H](C)C(=O)N1C[C@@H](C)[C@H](C)C1 638006140 347472823 /nfs/dbraw/zinc/47/28/23/347472823.db2.gz BFSMRMVKJQINPO-OPRDCNLKSA-N 0 3 198.310 1.099 20 0 ADADHN CCN[C@H](C)C(=O)N1[C@H](C)CC[C@H]1C 638045415 347472725 /nfs/dbraw/zinc/47/27/25/347472725.db2.gz QPRWGJCSUQFFEP-OPRDCNLKSA-N 0 3 198.310 1.384 20 0 ADADHN CCN[C@@H](C)C(=O)N(CC)C1CCC1 638010039 347472737 /nfs/dbraw/zinc/47/27/37/347472737.db2.gz MUTIQEXLDYHUQR-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)N1CC[C@@H](C)[C@@H]1C 638040637 347472748 /nfs/dbraw/zinc/47/27/48/347472748.db2.gz PWRNHBGQJVIIFF-BBBLOLIVSA-N 0 3 198.310 1.241 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)NCC 638038962 347472781 /nfs/dbraw/zinc/47/27/81/347472781.db2.gz QILGHITZQNTEDN-IVZWLZJFSA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@H](C)C(=O)N1CC[C@H](C)[C@H]1C 638040638 347472882 /nfs/dbraw/zinc/47/28/82/347472882.db2.gz PWRNHBGQJVIIFF-IVZWLZJFSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@H](C)C(=O)N1CC[C@@H](C)[C@H]1C 638040639 347472958 /nfs/dbraw/zinc/47/29/58/347472958.db2.gz PWRNHBGQJVIIFF-OPRDCNLKSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@H](C)C(=O)NC1(C2CC2)CC1 638004750 347472964 /nfs/dbraw/zinc/47/29/64/347472964.db2.gz GNZCTPOLWMUWDI-MRVPVSSYSA-N 0 3 196.294 1.043 20 0 ADADHN CCN[C@H](C)C(=O)N1C[C@@H](C)[C@@H](C)C1 638006138 347472986 /nfs/dbraw/zinc/47/29/86/347472986.db2.gz BFSMRMVKJQINPO-KXUCPTDWSA-N 0 3 198.310 1.099 20 0 ADADHN CCN[C@H](C)C(=O)N1C[C@H](C)C[C@H]1C 638014884 347472999 /nfs/dbraw/zinc/47/29/99/347472999.db2.gz HBFYIIABCMIWOX-OPRDCNLKSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@H](C)C(=O)N1C[C@@H](C)C[C@@H]1C 638014883 347473022 /nfs/dbraw/zinc/47/30/22/347473022.db2.gz HBFYIIABCMIWOX-LPEHRKFASA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@H](C)C(=O)N(CC)C1CCC1 638010038 347473059 /nfs/dbraw/zinc/47/30/59/347473059.db2.gz MUTIQEXLDYHUQR-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)N1C[C@H](C)[C@@H](C)C1 638006139 347473074 /nfs/dbraw/zinc/47/30/74/347473074.db2.gz BFSMRMVKJQINPO-LPEHRKFASA-N 0 3 198.310 1.099 20 0 ADADHN CCN[C@@H](C)C(=O)NC1(C2CC2)CC1 638004751 347473077 /nfs/dbraw/zinc/47/30/77/347473077.db2.gz GNZCTPOLWMUWDI-QMMMGPOBSA-N 0 3 196.294 1.043 20 0 ADADHN CCN[C@H](C)C(=O)N1[C@@H](C)CC[C@H]1C 638045410 347473089 /nfs/dbraw/zinc/47/30/89/347473089.db2.gz QPRWGJCSUQFFEP-KXUCPTDWSA-N 0 3 198.310 1.384 20 0 ADADHN CCN[C@H](C)C(=O)NCCCC1CC1 638010548 347473097 /nfs/dbraw/zinc/47/30/97/347473097.db2.gz FXAYDBWFTNHVSK-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CCN[C@H](C)C(=O)N1C[C@H](C)C[C@@H]1C 638014882 347473106 /nfs/dbraw/zinc/47/31/06/347473106.db2.gz HBFYIIABCMIWOX-KXUCPTDWSA-N 0 3 198.310 1.241 20 0 ADADHN CCN[C@@H](C)C(=O)N1C[C@@H](C)[C@@H](C)C1 638006137 347473109 /nfs/dbraw/zinc/47/31/09/347473109.db2.gz BFSMRMVKJQINPO-AEJSXWLSSA-N 0 3 198.310 1.099 20 0 ADADHN CCN[C@H](C)C(=O)N1C[C@@H](C)C[C@H]1C 638014881 347473112 /nfs/dbraw/zinc/47/31/12/347473112.db2.gz HBFYIIABCMIWOX-IVZWLZJFSA-N 0 3 198.310 1.241 20 0 ADADHN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)NCC 638038964 347473148 /nfs/dbraw/zinc/47/31/48/347473148.db2.gz QILGHITZQNTEDN-OPRDCNLKSA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@H](C)C(=O)N1[C@@H](C)CC[C@@H]1C 638045414 347473170 /nfs/dbraw/zinc/47/31/70/347473170.db2.gz QPRWGJCSUQFFEP-LPEHRKFASA-N 0 3 198.310 1.384 20 0 ADADHN CCN[C@@H](C)C(=O)N1[C@@H](C)CC[C@H]1C 638045409 347473184 /nfs/dbraw/zinc/47/31/84/347473184.db2.gz QPRWGJCSUQFFEP-AEJSXWLSSA-N 0 3 198.310 1.384 20 0 ADADHN CCN[C@@H](C)C(=O)NCCCC1CC1 638010550 347473199 /nfs/dbraw/zinc/47/31/99/347473199.db2.gz FXAYDBWFTNHVSK-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CCN[C@H](C)C(=O)N1CC[C@@H](CC)C1 638045818 347473540 /nfs/dbraw/zinc/47/35/40/347473540.db2.gz RXOLJPBSXBKNAZ-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@@H](C)C(=O)Nc1ccccn1 638048874 347473642 /nfs/dbraw/zinc/47/36/42/347473642.db2.gz VXVWUGSRKFKVJN-QMMMGPOBSA-N 0 3 193.250 1.018 20 0 ADADHN CCN[C@H](C)C(=O)Nc1ccccn1 638048873 347473747 /nfs/dbraw/zinc/47/37/47/347473747.db2.gz VXVWUGSRKFKVJN-MRVPVSSYSA-N 0 3 193.250 1.018 20 0 ADADHN CCN[C@H](C)C(=O)N1CC[C@H](CC)C1 638045821 347473756 /nfs/dbraw/zinc/47/37/56/347473756.db2.gz RXOLJPBSXBKNAZ-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@@H](C)C(=O)Nc1cccnc1 638048879 347473949 /nfs/dbraw/zinc/47/39/49/347473949.db2.gz VZCNOHUZSUKRDL-QMMMGPOBSA-N 0 3 193.250 1.018 20 0 ADADHN CCN[C@@H](C)C(=O)N1CC[C@@H](CC)C1 638045820 347474018 /nfs/dbraw/zinc/47/40/18/347474018.db2.gz RXOLJPBSXBKNAZ-VHSXEESVSA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@H](C)C(=O)Nc1cccnc1 638048878 347474026 /nfs/dbraw/zinc/47/40/26/347474026.db2.gz VZCNOHUZSUKRDL-MRVPVSSYSA-N 0 3 193.250 1.018 20 0 ADADHN O=c1ccc(CN2CCCCC2)c[nH]1 638184031 347476250 /nfs/dbraw/zinc/47/62/50/347476250.db2.gz TXCHUTZEKSHATD-UHFFFAOYSA-N 0 3 192.262 1.773 20 0 ADADHN CCCN(C(=O)[C@H](C)NCC)C1CC1 638306127 347478571 /nfs/dbraw/zinc/47/85/71/347478571.db2.gz KBAVOVJOKKEVSJ-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@H](C)C(=O)N(C)CCC1CC1 638307518 347478647 /nfs/dbraw/zinc/47/86/47/347478647.db2.gz CRFWGMJGOQTJQK-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)CCC1CC1 638307521 347478930 /nfs/dbraw/zinc/47/89/30/347478930.db2.gz CRFWGMJGOQTJQK-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCCN(C(=O)[C@@H](C)NCC)C1CC1 638306117 347478950 /nfs/dbraw/zinc/47/89/50/347478950.db2.gz KBAVOVJOKKEVSJ-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN[C@@H](C)C(=O)NCCC1(C)CC1 638324783 347479296 /nfs/dbraw/zinc/47/92/96/347479296.db2.gz WENJWWCVCQIATF-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CCN[C@H](C)C(=O)NCCC1(C)CC1 638324782 347479529 /nfs/dbraw/zinc/47/95/29/347479529.db2.gz WENJWWCVCQIATF-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CCN[C@@H](C)C(=O)N[C@H]1CC=CCC1 638382248 347480022 /nfs/dbraw/zinc/48/00/22/347480022.db2.gz SUQVGZOSXXKHSU-UWVGGRQHSA-N 0 3 196.294 1.209 20 0 ADADHN CCN[C@H](C)C(=O)N[C@H]1CC=CCC1 638382250 347480034 /nfs/dbraw/zinc/48/00/34/347480034.db2.gz SUQVGZOSXXKHSU-ZJUUUORDSA-N 0 3 196.294 1.209 20 0 ADADHN CCN[C@@H](C)C(=O)N(C)C(C)(C)C 638378450 347480053 /nfs/dbraw/zinc/48/00/53/347480053.db2.gz RCYYFEJXMFCAHU-QMMMGPOBSA-N 0 3 186.299 1.241 20 0 ADADHN CCN[C@@H](C)C(=O)N[C@@H]1CC=CCC1 638382249 347480086 /nfs/dbraw/zinc/48/00/86/347480086.db2.gz SUQVGZOSXXKHSU-VHSXEESVSA-N 0 3 196.294 1.209 20 0 ADADHN CCN[C@H](C)C(=O)N(C)C(C)(C)C 638378440 347480090 /nfs/dbraw/zinc/48/00/90/347480090.db2.gz RCYYFEJXMFCAHU-MRVPVSSYSA-N 0 3 186.299 1.241 20 0 ADADHN CCN[C@H](C)C(=O)N[C@@H]1CC=CCC1 638382240 347480136 /nfs/dbraw/zinc/48/01/36/347480136.db2.gz SUQVGZOSXXKHSU-NXEZZACHSA-N 0 3 196.294 1.209 20 0 ADADHN CCN[C@H](C)C(=O)N[C@@]12CCC[C@@H]1C2 638403376 347480837 /nfs/dbraw/zinc/48/08/37/347480837.db2.gz BEXPAATZYJLQPE-FXPVBKGRSA-N 0 3 196.294 1.043 20 0 ADADHN CCN[C@H](C)C(=O)N[C@]12CCC[C@H]1C2 638403382 347480999 /nfs/dbraw/zinc/48/09/99/347480999.db2.gz BEXPAATZYJLQPE-YWVKMMECSA-N 0 3 196.294 1.043 20 0 ADADHN CCN[C@H](C)C(=O)NCC1=CCCC1 638427126 347481646 /nfs/dbraw/zinc/48/16/46/347481646.db2.gz YQLAVLIMXFHVRX-SECBINFHSA-N 0 3 196.294 1.211 20 0 ADADHN CCN[C@@H](C)C(=O)N[C@@]1(C)CC1(C)C 638423651 347481703 /nfs/dbraw/zinc/48/17/03/347481703.db2.gz BUQKVUDTUWRVEE-KWQFWETISA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@@H](C)C(=O)N[C@]1(C)CC1(C)C 638423649 347481755 /nfs/dbraw/zinc/48/17/55/347481755.db2.gz BUQKVUDTUWRVEE-GZMMTYOYSA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@H](C)C(=O)N[C@@]1(C)CC1(C)C 638423650 347481682 /nfs/dbraw/zinc/48/16/82/347481682.db2.gz BUQKVUDTUWRVEE-KCJUWKMLSA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@H](C)C(=O)N[C@]1(C)CC1(C)C 638423652 347481750 /nfs/dbraw/zinc/48/17/50/347481750.db2.gz BUQKVUDTUWRVEE-LDYMZIIASA-N 0 3 198.310 1.289 20 0 ADADHN CCN[C@@H](C)C(=O)NCC1CC(C)C1 638440417 347481951 /nfs/dbraw/zinc/48/19/51/347481951.db2.gz RRAPHMXSGKYTAZ-KYHHOPLUSA-N 0 3 198.310 1.147 20 0 ADADHN CCN[C@H](C)C(=O)NCC1CC(C)C1 638440416 347482418 /nfs/dbraw/zinc/48/24/18/347482418.db2.gz RRAPHMXSGKYTAZ-HWOCKDDLSA-N 0 3 198.310 1.147 20 0 ADADHN CC(C)[C@@H](N)C(=O)NCC1CC=CC1 638490685 347483380 /nfs/dbraw/zinc/48/33/80/347483380.db2.gz BUSURKQILIJOQL-SNVBAGLBSA-N 0 3 196.294 1.052 20 0 ADADHN CC1(C)CCC(C)(C)N(C(=O)CN)C1 638476772 347483039 /nfs/dbraw/zinc/48/30/39/347483039.db2.gz KMSSJRRTNYEOPA-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CCN[C@@H](C)C(=O)NCC1CC=CC1 638493829 347483310 /nfs/dbraw/zinc/48/33/10/347483310.db2.gz MOQXAMZGLBZSCY-VIFPVBQESA-N 0 3 196.294 1.067 20 0 ADADHN CCN[C@H](C)C(=O)NCC1CC=CC1 638493828 347483487 /nfs/dbraw/zinc/48/34/87/347483487.db2.gz MOQXAMZGLBZSCY-SECBINFHSA-N 0 3 196.294 1.067 20 0 ADADHN CC(C)NCC(=O)NCC1CC=CC1 638494329 347483714 /nfs/dbraw/zinc/48/37/14/347483714.db2.gz VLCYSJRLMIFVMO-UHFFFAOYSA-N 0 3 196.294 1.067 20 0 ADADHN CNc1ccc(NC(=O)[C@H](C)N)cc1 638566463 347485416 /nfs/dbraw/zinc/48/54/16/347485416.db2.gz JSLLDDOZEYKBJV-ZETCQYMHSA-N 0 3 193.250 1.014 20 0 ADADHN CNc1ccc(NC(=O)[C@@H](C)N)cc1 638566462 347485864 /nfs/dbraw/zinc/48/58/64/347485864.db2.gz JSLLDDOZEYKBJV-SSDOTTSWSA-N 0 3 193.250 1.014 20 0 ADADHN C[C@@H](N)C(=O)NCC[C@H]1CC=CCC1 638597861 347486157 /nfs/dbraw/zinc/48/61/57/347486157.db2.gz BOAJXMDDIGNZDT-ZJUUUORDSA-N 0 3 196.294 1.196 20 0 ADADHN CC(C)NCC(=O)N(C1CC1)C1CC1 638573631 347486207 /nfs/dbraw/zinc/48/62/07/347486207.db2.gz IHOXVOQUHGGLKF-UHFFFAOYSA-N 0 3 196.294 1.138 20 0 ADADHN C[C@@H](N)C(=O)NCC[C@@H]1CC=CCC1 638597857 347486262 /nfs/dbraw/zinc/48/62/62/347486262.db2.gz BOAJXMDDIGNZDT-NXEZZACHSA-N 0 3 196.294 1.196 20 0 ADADHN CCN[C@@H](C)C(=O)N(C1CC1)C1CC1 638574541 347486310 /nfs/dbraw/zinc/48/63/10/347486310.db2.gz WFHBPEQZAICILK-QMMMGPOBSA-N 0 3 196.294 1.138 20 0 ADADHN CCN[C@H](C)C(=O)N(C1CC1)C1CC1 638574540 347486624 /nfs/dbraw/zinc/48/66/24/347486624.db2.gz WFHBPEQZAICILK-MRVPVSSYSA-N 0 3 196.294 1.138 20 0 ADADHN CCC[C@@](C)(N)C(=O)N[C@@H]1C[C@H]1CC 638722960 347489835 /nfs/dbraw/zinc/48/98/35/347489835.db2.gz CIDRAHVCRPAUQO-FXPVBKGRSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](N)C(=O)N1C[C@@H]2CCCC[C@@]21C 638758099 347490327 /nfs/dbraw/zinc/49/03/27/347490327.db2.gz RYFFBYWLAHSQNE-YWVKMMECSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@@]21C 638758098 347490407 /nfs/dbraw/zinc/49/04/07/347490407.db2.gz RYFFBYWLAHSQNE-QXEWZRGKSA-N 0 3 196.294 1.125 20 0 ADADHN CCC(C)(C)CCNC(=O)CNC 638866783 347494167 /nfs/dbraw/zinc/49/41/67/347494167.db2.gz VNFKXKNTMNYLTF-UHFFFAOYSA-N 0 3 186.299 1.148 20 0 ADADHN Cc1cnc(CNC[C@H](C)N(C)C)o1 638867170 347494400 /nfs/dbraw/zinc/49/44/00/347494400.db2.gz YYXOJNZLTJYCMC-QMMMGPOBSA-N 0 3 197.282 1.023 20 0 ADADHN COc1cccc(C)c1CNCCO 638863167 347494411 /nfs/dbraw/zinc/49/44/11/347494411.db2.gz LKEKCZDXEUNZKU-UHFFFAOYSA-N 0 3 195.262 1.086 20 0 ADADHN Cc1cnc(CNC[C@@H](C)N(C)C)o1 638867169 347494446 /nfs/dbraw/zinc/49/44/46/347494446.db2.gz YYXOJNZLTJYCMC-MRVPVSSYSA-N 0 3 197.282 1.023 20 0 ADADHN O=c1ccc(CN2CC=CCC2)c[nH]1 638914045 347495896 /nfs/dbraw/zinc/49/58/96/347495896.db2.gz JHRNIVRRQJPBSV-UHFFFAOYSA-N 0 3 190.246 1.549 20 0 ADADHN CC[C@@H](N)C(=O)Nc1ccsc1C 638978774 347498527 /nfs/dbraw/zinc/49/85/27/347498527.db2.gz NYSKZVVQLHDPPT-SSDOTTSWSA-N 0 3 198.291 1.732 20 0 ADADHN C[C@H](N)C(=O)N[C@H](C)CC1CCC1 638995705 347498545 /nfs/dbraw/zinc/49/85/45/347498545.db2.gz FEEUAARGLRRXLB-SFYZADRCSA-N 0 3 184.283 1.029 20 0 ADADHN Cc1sccc1NC(=O)C1(N)CC1 638978838 347498614 /nfs/dbraw/zinc/49/86/14/347498614.db2.gz QNUCGBVHHCLLLT-UHFFFAOYSA-N 0 3 196.275 1.486 20 0 ADADHN Cc1cc(NC(=O)C2(N)CC2)cs1 638994688 347498677 /nfs/dbraw/zinc/49/86/77/347498677.db2.gz QUJNUOBLKBIESN-UHFFFAOYSA-N 0 3 196.275 1.486 20 0 ADADHN CN[C@@H](C)C(=O)Nc1ccsc1C 638981196 347498683 /nfs/dbraw/zinc/49/86/83/347498683.db2.gz IISXLBIVSBORAY-LURJTMIESA-N 0 3 198.291 1.603 20 0 ADADHN Cc1sccc1NC(=O)[C@@H](C)N 638978495 347498763 /nfs/dbraw/zinc/49/87/63/347498763.db2.gz FPFXCGRGGURIGA-RXMQYKEDSA-N 0 3 184.264 1.342 20 0 ADADHN CN[C@@H](C)C(=O)Nc1csc(C)c1 638994054 347498786 /nfs/dbraw/zinc/49/87/86/347498786.db2.gz HDGASDFZEQUGFE-ZETCQYMHSA-N 0 3 198.291 1.603 20 0 ADADHN C[C@@H](CC1CCC1)NC(=O)[C@H](C)N 638995706 347498820 /nfs/dbraw/zinc/49/88/20/347498820.db2.gz FEEUAARGLRRXLB-YUMQZZPRSA-N 0 3 184.283 1.029 20 0 ADADHN CNCC(=O)Nc1ccsc1C 638978515 347498839 /nfs/dbraw/zinc/49/88/39/347498839.db2.gz GNKAXVLCFRKIKV-UHFFFAOYSA-N 0 3 184.264 1.214 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccsc1C 638978775 347498859 /nfs/dbraw/zinc/49/88/59/347498859.db2.gz NYSKZVVQLHDPPT-ZETCQYMHSA-N 0 3 198.291 1.732 20 0 ADADHN CN[C@@H](C)C(=O)N[C@@H](C)CC1CCC1 638998330 347499208 /nfs/dbraw/zinc/49/92/08/347499208.db2.gz UZCMGUNDJOFDKV-IUCAKERBSA-N 0 3 198.310 1.289 20 0 ADADHN Cc1cc(NC(=O)[C@H](C)N)cs1 639000581 347499216 /nfs/dbraw/zinc/49/92/16/347499216.db2.gz UVKYUGNUGYCDOK-LURJTMIESA-N 0 3 184.264 1.342 20 0 ADADHN CN[C@@H](C)C(=O)N[C@H](C)CC1CCC1 638998326 347499373 /nfs/dbraw/zinc/49/93/73/347499373.db2.gz UZCMGUNDJOFDKV-BDAKNGLRSA-N 0 3 198.310 1.289 20 0 ADADHN Cc1cc(NC(=O)[C@@H](C)N)cs1 639000582 347499503 /nfs/dbraw/zinc/49/95/03/347499503.db2.gz UVKYUGNUGYCDOK-ZCFIWIBFSA-N 0 3 184.264 1.342 20 0 ADADHN Cn1ncnc1CNCCC1(C)CC1 639116912 347501549 /nfs/dbraw/zinc/50/15/49/347501549.db2.gz APWDZOLBKOVTHO-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN Cc1cnc(CN[C@@H](C)CN(C)C)o1 639167988 347503209 /nfs/dbraw/zinc/50/32/09/347503209.db2.gz MBDZESMZDUQLKF-QMMMGPOBSA-N 0 3 197.282 1.023 20 0 ADADHN CO[C@H](C)[C@@H](C)N[C@H](C)CF 639182685 347503551 /nfs/dbraw/zinc/50/35/51/347503551.db2.gz IWAABBNUWOLRRT-BWZBUEFSSA-N 0 3 163.236 1.357 20 0 ADADHN CO[C@@H](CN[C@H](C)CF)C1CC1 639182323 347503568 /nfs/dbraw/zinc/50/35/68/347503568.db2.gz DZWWQYGXLBWPDU-APPZFPTMSA-N 0 3 175.247 1.359 20 0 ADADHN CO[C@H](CN[C@H](C)CF)C1CC1 639182329 347503592 /nfs/dbraw/zinc/50/35/92/347503592.db2.gz DZWWQYGXLBWPDU-VXNVDRBHSA-N 0 3 175.247 1.359 20 0 ADADHN CC[C@](C)(CN[C@@H](C)CF)OC 639182592 347503603 /nfs/dbraw/zinc/50/36/03/347503603.db2.gz HOMLGQHWECQBOU-DTWKUNHWSA-N 0 3 177.263 1.749 20 0 ADADHN CC[C@](C)(CN[C@H](C)CF)OC 639182595 347503655 /nfs/dbraw/zinc/50/36/55/347503655.db2.gz HOMLGQHWECQBOU-RKDXNWHRSA-N 0 3 177.263 1.749 20 0 ADADHN CO[C@H](CN[C@H](C)CF)CC(C)C 639181980 347503662 /nfs/dbraw/zinc/50/36/62/347503662.db2.gz BXDXAEYFMSSUOA-ZJUUUORDSA-N 0 3 191.290 1.995 20 0 ADADHN C[C@@H](CF)NC1CC(n2cccn2)C1 639181924 347503670 /nfs/dbraw/zinc/50/36/70/347503670.db2.gz ASOXJEPRQPUDRW-IDKOKCKLSA-N 0 3 197.257 1.534 20 0 ADADHN C[C@@H](CF)N[C@@H](C)Cc1cnccn1 639182620 347503678 /nfs/dbraw/zinc/50/36/78/347503678.db2.gz IELCSYRBWITMNI-IUCAKERBSA-N 0 3 197.257 1.355 20 0 ADADHN C[C@H](CF)N[C@H](C)[C@H]1CC1(F)F 639182564 347503689 /nfs/dbraw/zinc/50/36/89/347503689.db2.gz HFQCDPNMHUFMLB-FSDSQADBSA-N 0 3 181.201 1.978 20 0 ADADHN CCC[C@H](CN[C@H](C)CF)OC 639183324 347504268 /nfs/dbraw/zinc/50/42/68/347504268.db2.gz RGXUXXXGKDVBSC-RKDXNWHRSA-N 0 3 177.263 1.749 20 0 ADADHN C[C@H](CF)NC1CC(n2cccn2)C1 639181925 347503694 /nfs/dbraw/zinc/50/36/94/347503694.db2.gz ASOXJEPRQPUDRW-XNWIYYODSA-N 0 3 197.257 1.534 20 0 ADADHN CO[C@H](CN[C@@H](C)CF)CC(C)C 639181978 347503701 /nfs/dbraw/zinc/50/37/01/347503701.db2.gz BXDXAEYFMSSUOA-UWVGGRQHSA-N 0 3 191.290 1.995 20 0 ADADHN CO[C@@H](CN[C@@H](C)CF)CC(C)C 639181979 347503745 /nfs/dbraw/zinc/50/37/45/347503745.db2.gz BXDXAEYFMSSUOA-VHSXEESVSA-N 0 3 191.290 1.995 20 0 ADADHN CO[C@H](C)[C@@H](C)N[C@@H](C)CF 639182687 347503764 /nfs/dbraw/zinc/50/37/64/347503764.db2.gz IWAABBNUWOLRRT-XLPZGREQSA-N 0 3 163.236 1.357 20 0 ADADHN CO[C@H](CN[C@@H](C)CF)C1CC1 639182327 347503775 /nfs/dbraw/zinc/50/37/75/347503775.db2.gz DZWWQYGXLBWPDU-IONNQARKSA-N 0 3 175.247 1.359 20 0 ADADHN CO[C@@H](CN[C@@H](C)CF)C1CC1 639182324 347503818 /nfs/dbraw/zinc/50/38/18/347503818.db2.gz DZWWQYGXLBWPDU-CBAPKCEASA-N 0 3 175.247 1.359 20 0 ADADHN CO[C@@](C)(CN[C@@H](C)CF)C1CC1 639182456 347503824 /nfs/dbraw/zinc/50/38/24/347503824.db2.gz GBFZYGQAISPTJT-WPRPVWTQSA-N 0 3 189.274 1.749 20 0 ADADHN C[C@@H](CF)N[C@H](C)Cc1cnccn1 639182616 347503852 /nfs/dbraw/zinc/50/38/52/347503852.db2.gz IELCSYRBWITMNI-BDAKNGLRSA-N 0 3 197.257 1.355 20 0 ADADHN CO[C@](C)(CN[C@@H](C)CF)C1CC1 639182455 347503864 /nfs/dbraw/zinc/50/38/64/347503864.db2.gz GBFZYGQAISPTJT-WCBMZHEXSA-N 0 3 189.274 1.749 20 0 ADADHN C[C@H](CF)N[C@H](C)[C@@H]1CCCO1 639182751 347504366 /nfs/dbraw/zinc/50/43/66/347504366.db2.gz KVBZAPOBCDXMGT-HLTSFMKQSA-N 0 3 175.247 1.502 20 0 ADADHN CO[C@](C)(CN[C@H](C)CF)C1CC1 639182453 347503880 /nfs/dbraw/zinc/50/38/80/347503880.db2.gz GBFZYGQAISPTJT-PSASIEDQSA-N 0 3 189.274 1.749 20 0 ADADHN C[C@H](CF)N[C@H](C)[C@@H]1CC1(F)F 639182566 347503891 /nfs/dbraw/zinc/50/38/91/347503891.db2.gz HFQCDPNMHUFMLB-QYNIQEEDSA-N 0 3 181.201 1.978 20 0 ADADHN C[C@H](N[C@H](C)CF)[C@@H]1CC1(F)F 639182568 347503927 /nfs/dbraw/zinc/50/39/27/347503927.db2.gz HFQCDPNMHUFMLB-VQVTYTSYSA-N 0 3 181.201 1.978 20 0 ADADHN CC[C@@](C)(CN[C@H](C)CF)OC 639182590 347503958 /nfs/dbraw/zinc/50/39/58/347503958.db2.gz HOMLGQHWECQBOU-BDAKNGLRSA-N 0 3 177.263 1.749 20 0 ADADHN CO[C@H](C)[C@H](C)N[C@@H](C)CF 639182668 347504016 /nfs/dbraw/zinc/50/40/16/347504016.db2.gz IWAABBNUWOLRRT-BIIVOSGPSA-N 0 3 163.236 1.357 20 0 ADADHN CO[C@H](C)[C@H](C)N[C@H](C)CF 639182686 347504029 /nfs/dbraw/zinc/50/40/29/347504029.db2.gz IWAABBNUWOLRRT-GJMOJQLCSA-N 0 3 163.236 1.357 20 0 ADADHN C[C@H](CF)N[C@H](C)Cc1cnccn1 639182622 347504042 /nfs/dbraw/zinc/50/40/42/347504042.db2.gz IELCSYRBWITMNI-RKDXNWHRSA-N 0 3 197.257 1.355 20 0 ADADHN C[C@@H](Cc1cnccn1)N[C@H](C)CF 639182618 347504071 /nfs/dbraw/zinc/50/40/71/347504071.db2.gz IELCSYRBWITMNI-DTWKUNHWSA-N 0 3 197.257 1.355 20 0 ADADHN CO[C@@H](CN[C@H](C)CF)CC(C)C 639181977 347504085 /nfs/dbraw/zinc/50/40/85/347504085.db2.gz BXDXAEYFMSSUOA-NXEZZACHSA-N 0 3 191.290 1.995 20 0 ADADHN C[C@H](N[C@H](C)CF)[C@H]1CC1(F)F 639182558 347504087 /nfs/dbraw/zinc/50/40/87/347504087.db2.gz HFQCDPNMHUFMLB-DSYKOEDSSA-N 0 3 181.201 1.978 20 0 ADADHN CC[C@@](C)(CN[C@@H](C)CF)OC 639182594 347504094 /nfs/dbraw/zinc/50/40/94/347504094.db2.gz HOMLGQHWECQBOU-IUCAKERBSA-N 0 3 177.263 1.749 20 0 ADADHN C[C@H](CF)N[C@H](C)[C@@H]1CCCCO1 639184015 347504282 /nfs/dbraw/zinc/50/42/82/347504282.db2.gz YZQZKWDZBHJOOB-BBBLOLIVSA-N 0 3 189.274 1.892 20 0 ADADHN C[C@H](CF)N[C@H](C)[C@H]1CCCCO1 639184017 347504294 /nfs/dbraw/zinc/50/42/94/347504294.db2.gz YZQZKWDZBHJOOB-OPRDCNLKSA-N 0 3 189.274 1.892 20 0 ADADHN CC[C@H](C)[C@H](CN[C@H](C)CF)OC 639183989 347504314 /nfs/dbraw/zinc/50/43/14/347504314.db2.gz YBAZWXSHBYRAAE-AEJSXWLSSA-N 0 3 191.290 1.995 20 0 ADADHN COC[C@@H](N[C@@H](C)CF)C1CC1 639182715 347504343 /nfs/dbraw/zinc/50/43/43/347504343.db2.gz JUOWIDDDGSLQSG-IONNQARKSA-N 0 3 175.247 1.359 20 0 ADADHN COCC1(CN[C@H](C)CF)CCC1 639182698 347504418 /nfs/dbraw/zinc/50/44/18/347504418.db2.gz JHWXVIGIVSMZLE-SECBINFHSA-N 0 3 189.274 1.751 20 0 ADADHN COC[C@H](N[C@H](C)CF)C1CC1 639182713 347504444 /nfs/dbraw/zinc/50/44/44/347504444.db2.gz JUOWIDDDGSLQSG-APPZFPTMSA-N 0 3 175.247 1.359 20 0 ADADHN CC[C@H](C)[C@H](CN[C@@H](C)CF)OC 639183990 347504488 /nfs/dbraw/zinc/50/44/88/347504488.db2.gz YBAZWXSHBYRAAE-GUBZILKMSA-N 0 3 191.290 1.995 20 0 ADADHN C[C@H](N[C@H](C)CF)[C@H]1CCCCO1 639184016 347504495 /nfs/dbraw/zinc/50/44/95/347504495.db2.gz YZQZKWDZBHJOOB-KXUCPTDWSA-N 0 3 189.274 1.892 20 0 ADADHN COC[C@@H](N[C@H](C)CF)C1CC1 639182716 347504504 /nfs/dbraw/zinc/50/45/04/347504504.db2.gz JUOWIDDDGSLQSG-VXNVDRBHSA-N 0 3 175.247 1.359 20 0 ADADHN C[C@H](CF)NCCCc1cnn(C)c1 639183155 347504521 /nfs/dbraw/zinc/50/45/21/347504521.db2.gz POUFAKYZVGUESW-SECBINFHSA-N 0 3 199.273 1.300 20 0 ADADHN C[C@H](N[C@H](C)CF)[C@@H]1CCCCO1 639184018 347504529 /nfs/dbraw/zinc/50/45/29/347504529.db2.gz YZQZKWDZBHJOOB-UTLUCORTSA-N 0 3 189.274 1.892 20 0 ADADHN C[C@H](N[C@H](C)CF)[C@@H]1CCCO1 639182754 347504534 /nfs/dbraw/zinc/50/45/34/347504534.db2.gz KVBZAPOBCDXMGT-VGMNWLOBSA-N 0 3 175.247 1.502 20 0 ADADHN C[C@H](N[C@H](C)CF)[C@H]1CCCO1 639182752 347504553 /nfs/dbraw/zinc/50/45/53/347504553.db2.gz KVBZAPOBCDXMGT-HRDYMLBCSA-N 0 3 175.247 1.502 20 0 ADADHN CCC[C@H](CN[C@@H](C)CF)OC 639183322 347504628 /nfs/dbraw/zinc/50/46/28/347504628.db2.gz RGXUXXXGKDVBSC-DTWKUNHWSA-N 0 3 177.263 1.749 20 0 ADADHN CCC[C@@H](CN[C@@H](C)CF)OC 639183323 347504654 /nfs/dbraw/zinc/50/46/54/347504654.db2.gz RGXUXXXGKDVBSC-IUCAKERBSA-N 0 3 177.263 1.749 20 0 ADADHN CC[C@H](C)[C@@H](CN[C@@H](C)CF)OC 639183992 347504665 /nfs/dbraw/zinc/50/46/65/347504665.db2.gz YBAZWXSHBYRAAE-LPEHRKFASA-N 0 3 191.290 1.995 20 0 ADADHN C[C@H](CF)N[C@H](C)[C@H]1CCCO1 639182753 347504700 /nfs/dbraw/zinc/50/47/00/347504700.db2.gz KVBZAPOBCDXMGT-IWSPIJDZSA-N 0 3 175.247 1.502 20 0 ADADHN COCC1(CN[C@@H](C)CF)CCC1 639182699 347504715 /nfs/dbraw/zinc/50/47/15/347504715.db2.gz JHWXVIGIVSMZLE-VIFPVBQESA-N 0 3 189.274 1.751 20 0 ADADHN COC[C@H](N[C@@H](C)CF)C1CC1 639182714 347504720 /nfs/dbraw/zinc/50/47/20/347504720.db2.gz JUOWIDDDGSLQSG-CBAPKCEASA-N 0 3 175.247 1.359 20 0 ADADHN CC[C@H](C)[C@@H](CN[C@H](C)CF)OC 639183991 347504762 /nfs/dbraw/zinc/50/47/62/347504762.db2.gz YBAZWXSHBYRAAE-IVZWLZJFSA-N 0 3 191.290 1.995 20 0 ADADHN CCC[C@@H](CN1CC[C@@H](F)C1)OC 639229731 347507118 /nfs/dbraw/zinc/50/71/18/347507118.db2.gz XMJDJYOFIJLDBH-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@](C)(CN1CC[C@H](F)C1)OC 639228555 347507041 /nfs/dbraw/zinc/50/70/41/347507041.db2.gz PGGZLABDVSTCOP-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN CCC[C@@H](CN1CC[C@H](F)C1)OC 639229729 347507048 /nfs/dbraw/zinc/50/70/48/347507048.db2.gz XMJDJYOFIJLDBH-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN CCC[C@H](CN1CC[C@H](F)C1)OC 639229730 347507055 /nfs/dbraw/zinc/50/70/55/347507055.db2.gz XMJDJYOFIJLDBH-VHSXEESVSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@](C)(CN1CC[C@@H](F)C1)OC 639228553 347507138 /nfs/dbraw/zinc/50/71/38/347507138.db2.gz PGGZLABDVSTCOP-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN Cc1cc(CN[C@H]2C[C@@H](O)C2)sn1 639240668 347507142 /nfs/dbraw/zinc/50/71/42/347507142.db2.gz VSQKISQRSNUITP-OCAPTIKFSA-N 0 3 198.291 1.064 20 0 ADADHN CCC[C@H](CN1CC[C@@H](F)C1)OC 639229728 347507189 /nfs/dbraw/zinc/50/71/89/347507189.db2.gz XMJDJYOFIJLDBH-NXEZZACHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@@](C)(CN1CC[C@H](F)C1)OC 639228554 347507252 /nfs/dbraw/zinc/50/72/52/347507252.db2.gz PGGZLABDVSTCOP-UWVGGRQHSA-N 0 3 189.274 1.845 20 0 ADADHN CC[C@@](C)(CN1CC[C@@H](F)C1)OC 639228557 347507406 /nfs/dbraw/zinc/50/74/06/347507406.db2.gz PGGZLABDVSTCOP-ZJUUUORDSA-N 0 3 189.274 1.845 20 0 ADADHN CCC1CN(Cc2ccc(=O)[nH]c2)C1 639248293 347507875 /nfs/dbraw/zinc/50/78/75/347507875.db2.gz FZSFMIFVOJRHAR-UHFFFAOYSA-N 0 3 192.262 1.629 20 0 ADADHN Cc1cc(CN[C@H]2C[C@H](O)C2)sn1 639335618 347511700 /nfs/dbraw/zinc/51/17/00/347511700.db2.gz VSQKISQRSNUITP-ZKCHVHJHSA-N 0 3 198.291 1.064 20 0 ADADHN Cc1cc(CN2C[C@H]3C[C@H]3C2)sn1 639348892 347513276 /nfs/dbraw/zinc/51/32/76/347513276.db2.gz SAPSBRLCNHGOEU-DTORHVGOSA-N 0 3 194.303 1.903 20 0 ADADHN CC1=CC[C@@H](NCc2ncc[nH]2)CC1 639371160 347514293 /nfs/dbraw/zinc/51/42/93/347514293.db2.gz KGLKXAPQLLROJD-SNVBAGLBSA-N 0 3 191.278 1.998 20 0 ADADHN CC[C@H](C)CNC1(C)COC1 639380794 347514307 /nfs/dbraw/zinc/51/43/07/347514307.db2.gz KNFXKFLYDUJQRU-QMMMGPOBSA-N 0 3 157.257 1.411 20 0 ADADHN CC1(NCCC2CCOCC2)COC1 639380246 347514358 /nfs/dbraw/zinc/51/43/58/347514358.db2.gz CRFGDNWOPHTBTE-UHFFFAOYSA-N 0 3 199.294 1.182 20 0 ADADHN CC1(NC[C@@H]2CCSC2)COC1 639380968 347514374 /nfs/dbraw/zinc/51/43/74/347514374.db2.gz LQVFQVVOQQHSOV-QMMMGPOBSA-N 0 3 187.308 1.118 20 0 ADADHN CC1(NC[C@H]2CCSC2)COC1 639380896 347514410 /nfs/dbraw/zinc/51/44/10/347514410.db2.gz LQVFQVVOQQHSOV-MRVPVSSYSA-N 0 3 187.308 1.118 20 0 ADADHN CC1=CC[C@H](NCc2ncc[nH]2)CC1 639371159 347514494 /nfs/dbraw/zinc/51/44/94/347514494.db2.gz KGLKXAPQLLROJD-JTQLQIEISA-N 0 3 191.278 1.998 20 0 ADADHN CC[C@](C)(CNC1(C)COC1)OC 639380195 347514584 /nfs/dbraw/zinc/51/45/84/347514584.db2.gz BONRBRTUMCRHAL-SNVBAGLBSA-N 0 3 187.283 1.180 20 0 ADADHN CC[C@@](C)(CNC1(C)COC1)OC 639380194 347514682 /nfs/dbraw/zinc/51/46/82/347514682.db2.gz BONRBRTUMCRHAL-JTQLQIEISA-N 0 3 187.283 1.180 20 0 ADADHN CC[C@@H](C)CNC1(C)COC1 639380783 347514695 /nfs/dbraw/zinc/51/46/95/347514695.db2.gz KNFXKFLYDUJQRU-MRVPVSSYSA-N 0 3 157.257 1.411 20 0 ADADHN C[C@@H]1C[C@@H]1CNC1(C)COC1 639380986 347515017 /nfs/dbraw/zinc/51/50/17/347515017.db2.gz MTHUNDIHWYKMLX-HTQZYQBOSA-N 0 3 155.241 1.021 20 0 ADADHN CC(C)CNC1(C)COC1 639381122 347515033 /nfs/dbraw/zinc/51/50/33/347515033.db2.gz QABAOBBKUMYJGS-UHFFFAOYSA-N 0 3 143.230 1.021 20 0 ADADHN C[C@@H]1C[C@H]1CNC1(C)COC1 639380988 347515048 /nfs/dbraw/zinc/51/50/48/347515048.db2.gz MTHUNDIHWYKMLX-SFYZADRCSA-N 0 3 155.241 1.021 20 0 ADADHN CC1(NCC2CCCCC2)COC1 639381633 347515053 /nfs/dbraw/zinc/51/50/53/347515053.db2.gz ZCZRLDGTKGZNDB-UHFFFAOYSA-N 0 3 183.295 1.945 20 0 ADADHN CCC(CC)CNC1(C)COC1 639381136 347515124 /nfs/dbraw/zinc/51/51/24/347515124.db2.gz QHKIDMXYSDVLNJ-UHFFFAOYSA-N 0 3 171.284 1.801 20 0 ADADHN CCC[C@H](CNC1(C)COC1)OC 639381602 347515230 /nfs/dbraw/zinc/51/52/30/347515230.db2.gz YSRZWCISGQNFGU-SECBINFHSA-N 0 3 187.283 1.180 20 0 ADADHN CC(C)(C)CCNC1(C)COC1 639381600 347515238 /nfs/dbraw/zinc/51/52/38/347515238.db2.gz YSKKMEHAXKIPRA-UHFFFAOYSA-N 0 3 171.284 1.801 20 0 ADADHN C[C@H]1C[C@H]1CNC1(C)COC1 639380989 347515271 /nfs/dbraw/zinc/51/52/71/347515271.db2.gz MTHUNDIHWYKMLX-YUMQZZPRSA-N 0 3 155.241 1.021 20 0 ADADHN C[C@H]1C[C@@H]1CNC1(C)COC1 639380987 347515295 /nfs/dbraw/zinc/51/52/95/347515295.db2.gz MTHUNDIHWYKMLX-JGVFFNPUSA-N 0 3 155.241 1.021 20 0 ADADHN CC1(C)CN(Cc2ccc(=O)[nH]c2)C1 639393582 347515739 /nfs/dbraw/zinc/51/57/39/347515739.db2.gz NVRKLGGMHWFMJW-UHFFFAOYSA-N 0 3 192.262 1.629 20 0 ADADHN CO[C@H](CN1CC(C)(C)C1)C1CC1 639392973 347515841 /nfs/dbraw/zinc/51/58/41/347515841.db2.gz DEEHORYCGIRBBN-SNVBAGLBSA-N 0 3 183.295 1.753 20 0 ADADHN CO[C@@H](CN1CC(C)(C)C1)C1CC1 639392972 347515881 /nfs/dbraw/zinc/51/58/81/347515881.db2.gz DEEHORYCGIRBBN-JTQLQIEISA-N 0 3 183.295 1.753 20 0 ADADHN Cc1cn[nH]c1CN1CC(C)(C)C1 639392971 347516032 /nfs/dbraw/zinc/51/60/32/347516032.db2.gz DEABBYVEZBYAOI-UHFFFAOYSA-N 0 3 179.267 1.560 20 0 ADADHN CO[C@]1(CN2CC(C)(C)C2)CCOC1 639393954 347516747 /nfs/dbraw/zinc/51/67/47/347516747.db2.gz ZCFXQCSNSVZBCD-NSHDSACASA-N 0 3 199.294 1.134 20 0 ADADHN Cn1ccc(CN2CC(C)(C)C2)c1 639393949 347516857 /nfs/dbraw/zinc/51/68/57/347516857.db2.gz YYYUNLBZUOWGMU-UHFFFAOYSA-N 0 3 178.279 1.867 20 0 ADADHN CO[C@@]1(CN2CC(C)(C)C2)CCOC1 639393953 347516864 /nfs/dbraw/zinc/51/68/64/347516864.db2.gz ZCFXQCSNSVZBCD-LLVKDONJSA-N 0 3 199.294 1.134 20 0 ADADHN CC1(C)CN(CC2=CCCOC2)C1 639404964 347516877 /nfs/dbraw/zinc/51/68/77/347516877.db2.gz KFMHYXXGKQOTIZ-UHFFFAOYSA-N 0 3 181.279 1.675 20 0 ADADHN C[C@@H]1CN(C[C@@H]2CCO[C@@H]2C)CCO1 639432669 347517201 /nfs/dbraw/zinc/51/72/01/347517201.db2.gz HQEGHLHPVUXDHL-MXWKQRLJSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCC[C@@H]1CN1CCO[C@H](C)C1 639432670 347517250 /nfs/dbraw/zinc/51/72/50/347517250.db2.gz HQEGHLHPVUXDHL-OUAUKWLOSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCC[C@H]1CN1CCO[C@H](C)C1 639432671 347517334 /nfs/dbraw/zinc/51/73/34/347517334.db2.gz HQEGHLHPVUXDHL-VWYCJHECSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1CN(C[C@H]2CCO[C@@H]2C)CCO1 639432668 347517516 /nfs/dbraw/zinc/51/75/16/347517516.db2.gz HQEGHLHPVUXDHL-GMTAPVOTSA-N 0 3 199.294 1.132 20 0 ADADHN CCN(CCc1cnccn1)C1CC1 639449577 347517924 /nfs/dbraw/zinc/51/79/24/347517924.db2.gz LKNXRQALZGDDTA-UHFFFAOYSA-N 0 3 191.278 1.503 20 0 ADADHN COCCN(CC(C)=O)C1CCCC1 639460925 347518636 /nfs/dbraw/zinc/51/86/36/347518636.db2.gz ZUPOKRGJHSDNSO-UHFFFAOYSA-N 0 3 199.294 1.466 20 0 ADADHN CC(=O)CN(C(C)C)C1CC1 639453313 347518675 /nfs/dbraw/zinc/51/86/75/347518675.db2.gz XJJSSOSRNAAXGG-UHFFFAOYSA-N 0 3 155.241 1.448 20 0 ADADHN CC(=O)CN(C1CC1)[C@@H](C)C1CC1 639452923 347518687 /nfs/dbraw/zinc/51/86/87/347518687.db2.gz UQRDRSXFBVTRDC-VIFPVBQESA-N 0 3 181.279 1.838 20 0 ADADHN CC(=O)CN(C1CC1)[C@H](C)C1CC1 639452918 347518732 /nfs/dbraw/zinc/51/87/32/347518732.db2.gz UQRDRSXFBVTRDC-SECBINFHSA-N 0 3 181.279 1.838 20 0 ADADHN CN(CCc1cnccn1)C1CC1 639451666 347518797 /nfs/dbraw/zinc/51/87/97/347518797.db2.gz HOUMWVPHLCTMNH-UHFFFAOYSA-N 0 3 177.251 1.113 20 0 ADADHN CCN(CC(C)=O)[C@@H](C)C(C)C 639460774 347518851 /nfs/dbraw/zinc/51/88/51/347518851.db2.gz LKHCMPZSJUIMJV-JTQLQIEISA-N 0 3 171.284 1.942 20 0 ADADHN CCN(CC(C)=O)[C@H](C)C(C)C 639460775 347519049 /nfs/dbraw/zinc/51/90/49/347519049.db2.gz LKHCMPZSJUIMJV-SNVBAGLBSA-N 0 3 171.284 1.942 20 0 ADADHN CC(=O)CN1CCC[C@@H]1C1CCC1 639475339 347519443 /nfs/dbraw/zinc/51/94/43/347519443.db2.gz ZWAGVHYCMIKXCS-LLVKDONJSA-N 0 3 181.279 1.840 20 0 ADADHN C[C@H]1CCN(CCc2cnccn2)C1 639469148 347519786 /nfs/dbraw/zinc/51/97/86/347519786.db2.gz NMFSMCBJAXCMKT-JTQLQIEISA-N 0 3 191.278 1.361 20 0 ADADHN C[C@@H]1CCN(CCc2cnccn2)C1 639469149 347519881 /nfs/dbraw/zinc/51/98/81/347519881.db2.gz NMFSMCBJAXCMKT-SNVBAGLBSA-N 0 3 191.278 1.361 20 0 ADADHN CC(=O)CN1CCC[C@H]1C1CCC1 639475340 347519916 /nfs/dbraw/zinc/51/99/16/347519916.db2.gz ZWAGVHYCMIKXCS-NSHDSACASA-N 0 3 181.279 1.840 20 0 ADADHN CC(=O)CN(C1CCCC1)C1CC1 639484093 347520361 /nfs/dbraw/zinc/52/03/61/347520361.db2.gz ZKQSWFSHMQOIOE-UHFFFAOYSA-N 0 3 181.279 1.982 20 0 ADADHN CC[C@@H](O)[C@H]1CCCCN1CC(C)=O 639497545 347520637 /nfs/dbraw/zinc/52/06/37/347520637.db2.gz RZPFNZPPQJMLDJ-GHMZBOCLSA-N 0 3 199.294 1.201 20 0 ADADHN CCN(CC(C)=O)C1CCC1 639501818 347521257 /nfs/dbraw/zinc/52/12/57/347521257.db2.gz YJISASSIYSEBBJ-UHFFFAOYSA-N 0 3 155.241 1.450 20 0 ADADHN CC[C@H](O)[C@@H]1CCCCN1CC(C)=O 639497547 347521123 /nfs/dbraw/zinc/52/11/23/347521123.db2.gz RZPFNZPPQJMLDJ-QWRGUYRKSA-N 0 3 199.294 1.201 20 0 ADADHN CC[C@@H](O)[C@@H]1CCCCN1CC(C)=O 639497548 347521216 /nfs/dbraw/zinc/52/12/16/347521216.db2.gz RZPFNZPPQJMLDJ-WDEREUQCSA-N 0 3 199.294 1.201 20 0 ADADHN C[C@H]1CCCN1CCc1cnccn1 639504471 347521784 /nfs/dbraw/zinc/52/17/84/347521784.db2.gz RQZOKVWNZSPPJL-JTQLQIEISA-N 0 3 191.278 1.503 20 0 ADADHN CC(=O)CN(C(C)C)C1CCC1 639533508 347522239 /nfs/dbraw/zinc/52/22/39/347522239.db2.gz OFYOAAYQRGBUSP-UHFFFAOYSA-N 0 3 169.268 1.838 20 0 ADADHN CC(=O)CN1CC[C@H](C)C[C@H](C)C1 639544968 347523049 /nfs/dbraw/zinc/52/30/49/347523049.db2.gz MNFMNDFJSNJFIS-UWVGGRQHSA-N 0 3 183.295 1.943 20 0 ADADHN CC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 639544967 347523152 /nfs/dbraw/zinc/52/31/52/347523152.db2.gz MNFMNDFJSNJFIS-NXEZZACHSA-N 0 3 183.295 1.943 20 0 ADADHN CC(=O)CN1CC[C@@H](C)C[C@H](C)C1 639544970 347523196 /nfs/dbraw/zinc/52/31/96/347523196.db2.gz MNFMNDFJSNJFIS-ZJUUUORDSA-N 0 3 183.295 1.943 20 0 ADADHN CC(=O)CN(C)C1CCC(CO)CC1 639541619 347523222 /nfs/dbraw/zinc/52/32/22/347523222.db2.gz PZMPRCQEPHMVLJ-UHFFFAOYSA-N 0 3 199.294 1.058 20 0 ADADHN CC(=O)CN1CC[C@H](C)C[C@@H](C)C1 639544969 347523708 /nfs/dbraw/zinc/52/37/08/347523708.db2.gz MNFMNDFJSNJFIS-VHSXEESVSA-N 0 3 183.295 1.943 20 0 ADADHN CC(=O)CN(C)C[C@@H]1CC=CCC1 639577948 347525430 /nfs/dbraw/zinc/52/54/30/347525430.db2.gz PYGWNNCAFBSITD-LLVKDONJSA-N 0 3 181.279 1.864 20 0 ADADHN CC(=O)CN(C)C[C@H]1CC=CCC1 639577949 347525858 /nfs/dbraw/zinc/52/58/58/347525858.db2.gz PYGWNNCAFBSITD-NSHDSACASA-N 0 3 181.279 1.864 20 0 ADADHN CC(=O)CN1C[C@H](C)CC(C)(C)C1 639582651 347526287 /nfs/dbraw/zinc/52/62/87/347526287.db2.gz JDIRSEAHHRLOFV-SECBINFHSA-N 0 3 183.295 1.943 20 0 ADADHN CC(=O)CN[C@@H]1CC(C)(C)OC1(C)C 639590164 347526369 /nfs/dbraw/zinc/52/63/69/347526369.db2.gz SXZQJIMVDXBEIE-SECBINFHSA-N 0 3 199.294 1.511 20 0 ADADHN CO[C@@H]1CCCN(CC(C)=O)CC1 639583662 347526646 /nfs/dbraw/zinc/52/66/46/347526646.db2.gz NYUVSDBCKFRJLU-SNVBAGLBSA-N 0 3 185.267 1.076 20 0 ADADHN CC(=O)CN1CC[C@H](C)C(C)(C)C1 639585959 347526672 /nfs/dbraw/zinc/52/66/72/347526672.db2.gz ZVZAOBCYJGCBQH-VIFPVBQESA-N 0 3 183.295 1.943 20 0 ADADHN CC(=O)CN1C[C@@H](C)CC(C)(C)C1 639582652 347526699 /nfs/dbraw/zinc/52/66/99/347526699.db2.gz JDIRSEAHHRLOFV-VIFPVBQESA-N 0 3 183.295 1.943 20 0 ADADHN CC(=O)CN1CC[C@@H](C)C(C)(C)C1 639585958 347526722 /nfs/dbraw/zinc/52/67/22/347526722.db2.gz ZVZAOBCYJGCBQH-SECBINFHSA-N 0 3 183.295 1.943 20 0 ADADHN CO[C@H]1CCCN(CC(C)=O)CC1 639583660 347526757 /nfs/dbraw/zinc/52/67/57/347526757.db2.gz NYUVSDBCKFRJLU-JTQLQIEISA-N 0 3 185.267 1.076 20 0 ADADHN CC(=O)CN[C@H]1CC(C)(C)OC1(C)C 639590166 347526808 /nfs/dbraw/zinc/52/68/08/347526808.db2.gz SXZQJIMVDXBEIE-VIFPVBQESA-N 0 3 199.294 1.511 20 0 ADADHN CC(=O)CN[C@H]1CCCC1(C)C 639601957 347527096 /nfs/dbraw/zinc/52/70/96/347527096.db2.gz VUIQMUWRLDLUKO-VIFPVBQESA-N 0 3 169.268 1.744 20 0 ADADHN CC(=O)CN1CC[C@H](C)C[C@@H]1[C@@H](C)O 639605966 347527706 /nfs/dbraw/zinc/52/77/06/347527706.db2.gz MMXIRTHYWAWQNO-JMJZKYOTSA-N 0 3 199.294 1.057 20 0 ADADHN CC(=O)CN1CC[C@H](C)C[C@@H]1[C@H](C)O 639605965 347527133 /nfs/dbraw/zinc/52/71/33/347527133.db2.gz MMXIRTHYWAWQNO-INTQDDNPSA-N 0 3 199.294 1.057 20 0 ADADHN CC(=O)CN(C1CCCC1)[C@@H](C)CO 639602108 347527554 /nfs/dbraw/zinc/52/75/54/347527554.db2.gz XLXRGUKIIGJAOO-VIFPVBQESA-N 0 3 199.294 1.201 20 0 ADADHN CC(=O)CN1CC[C@H](C)C[C@H]1[C@@H](C)O 639605964 347527641 /nfs/dbraw/zinc/52/76/41/347527641.db2.gz MMXIRTHYWAWQNO-GDPRMGEGSA-N 0 3 199.294 1.057 20 0 ADADHN CC(=O)CN(C1CCCC1)[C@H](C)CO 639602107 347527681 /nfs/dbraw/zinc/52/76/81/347527681.db2.gz XLXRGUKIIGJAOO-SECBINFHSA-N 0 3 199.294 1.201 20 0 ADADHN CC(=O)CN1CC[C@H](C)C[C@H]1[C@H](C)O 639605967 347527735 /nfs/dbraw/zinc/52/77/35/347527735.db2.gz MMXIRTHYWAWQNO-LSJOCFKGSA-N 0 3 199.294 1.057 20 0 ADADHN COC[C@@H]1CCCCN(CC(C)=O)C1 639590638 347527752 /nfs/dbraw/zinc/52/77/52/347527752.db2.gz ZEFLQDPYLUOVEM-LLVKDONJSA-N 0 3 199.294 1.324 20 0 ADADHN COC[C@H]1CCCCN(CC(C)=O)C1 639590639 347527804 /nfs/dbraw/zinc/52/78/04/347527804.db2.gz ZEFLQDPYLUOVEM-NSHDSACASA-N 0 3 199.294 1.324 20 0 ADADHN CC(=O)CN[C@@H]1CCCC1(C)C 639601956 347527924 /nfs/dbraw/zinc/52/79/24/347527924.db2.gz VUIQMUWRLDLUKO-SECBINFHSA-N 0 3 169.268 1.744 20 0 ADADHN C[C@H]1OCC[C@@H]1CN1CCOC[C@H]1C 639612472 347528266 /nfs/dbraw/zinc/52/82/66/347528266.db2.gz OWABEBCUKSQCOI-GMTAPVOTSA-N 0 3 199.294 1.132 20 0 ADADHN CO[C@]1(C)CCCN(CC(C)=O)CC1 639619237 347528418 /nfs/dbraw/zinc/52/84/18/347528418.db2.gz LAVPUCINBFIMNN-LLVKDONJSA-N 0 3 199.294 1.466 20 0 ADADHN C[C@H]1OCC[C@H]1CN1CCOC[C@H]1C 639612473 347528440 /nfs/dbraw/zinc/52/84/40/347528440.db2.gz OWABEBCUKSQCOI-MXWKQRLJSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCC[C@@H]1CN1CCOC[C@H]1C 639612475 347528496 /nfs/dbraw/zinc/52/84/96/347528496.db2.gz OWABEBCUKSQCOI-OUAUKWLOSA-N 0 3 199.294 1.132 20 0 ADADHN CC(=O)CN(CC1CC1)C1CCC1 639621185 347528749 /nfs/dbraw/zinc/52/87/49/347528749.db2.gz SCOWLGVWBZJIGS-UHFFFAOYSA-N 0 3 181.279 1.840 20 0 ADADHN CO[C@@]1(C)CCCN(CC(C)=O)CC1 639619238 347528791 /nfs/dbraw/zinc/52/87/91/347528791.db2.gz LAVPUCINBFIMNN-NSHDSACASA-N 0 3 199.294 1.466 20 0 ADADHN CC(=O)CN(CC1CCC1)[C@@H](C)CO 639621326 347528899 /nfs/dbraw/zinc/52/88/99/347528899.db2.gz OVLYVOFHCYCMSY-VIFPVBQESA-N 0 3 199.294 1.058 20 0 ADADHN CC(=O)CN(CC1CCC1)[C@H](C)CO 639621325 347528924 /nfs/dbraw/zinc/52/89/24/347528924.db2.gz OVLYVOFHCYCMSY-SECBINFHSA-N 0 3 199.294 1.058 20 0 ADADHN C[C@@H]1OCC[C@H]1CN1CCOC[C@H]1C 639612476 347528937 /nfs/dbraw/zinc/52/89/37/347528937.db2.gz OWABEBCUKSQCOI-VWYCJHECSA-N 0 3 199.294 1.132 20 0 ADADHN CCC[C@@]1(CO)CCCN1CC(C)=O 639632705 347529220 /nfs/dbraw/zinc/52/92/20/347529220.db2.gz ZOCUMRMZTYFRRL-NSHDSACASA-N 0 3 199.294 1.202 20 0 ADADHN CC(=O)CN1CCC[C@@H](C2CC2)C1 639646666 347529488 /nfs/dbraw/zinc/52/94/88/347529488.db2.gz QQYVOFPCKJCIKH-LLVKDONJSA-N 0 3 181.279 1.697 20 0 ADADHN CC(=O)CN1CCC[C@H](C2CC2)C1 639646667 347529533 /nfs/dbraw/zinc/52/95/33/347529533.db2.gz QQYVOFPCKJCIKH-NSHDSACASA-N 0 3 181.279 1.697 20 0 ADADHN CCC[C@]1(CO)CCCN1CC(C)=O 639632704 347529767 /nfs/dbraw/zinc/52/97/67/347529767.db2.gz ZOCUMRMZTYFRRL-LLVKDONJSA-N 0 3 199.294 1.202 20 0 ADADHN CO[C@]1(C)C[C@H](NCC(C)=O)C1(C)C 639662290 347530829 /nfs/dbraw/zinc/53/08/29/347530829.db2.gz JUEUMUBOVMMZIZ-GXSJLCMTSA-N 0 3 199.294 1.369 20 0 ADADHN C[C@H]1OCC[C@H]1CN1CC[C@H](F)C1 639664317 347530844 /nfs/dbraw/zinc/53/08/44/347530844.db2.gz UVVDTBVGXPCQBT-UTLUCORTSA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@@H]1[C@H](C)[C@@H](NCC(C)=O)C1(C)C 639663480 347530878 /nfs/dbraw/zinc/53/08/78/347530878.db2.gz OTCUYUMWFORIDA-OPRDCNLKSA-N 0 3 199.294 1.225 20 0 ADADHN C[C@H]1OCC[C@@H]1CN1CC[C@H](F)C1 639664307 347530957 /nfs/dbraw/zinc/53/09/57/347530957.db2.gz UVVDTBVGXPCQBT-BBBLOLIVSA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@@]1(C)C[C@@H](NCC(C)=O)C1(C)C 639662291 347530968 /nfs/dbraw/zinc/53/09/68/347530968.db2.gz JUEUMUBOVMMZIZ-KOLCDFICSA-N 0 3 199.294 1.369 20 0 ADADHN CO[C@@H]1[C@@H](C)[C@H](NCC(C)=O)C1(C)C 639663479 347531012 /nfs/dbraw/zinc/53/10/12/347531012.db2.gz OTCUYUMWFORIDA-LPEHRKFASA-N 0 3 199.294 1.225 20 0 ADADHN C[C@H]1OCC[C@H]1CN1CC[C@@H](F)C1 639664312 347531065 /nfs/dbraw/zinc/53/10/65/347531065.db2.gz UVVDTBVGXPCQBT-KXUCPTDWSA-N 0 3 187.258 1.455 20 0 ADADHN C[C@@H]1OCC[C@H]1CN1CCOC[C@@H]1C 639659756 347531081 /nfs/dbraw/zinc/53/10/81/347531081.db2.gz OWABEBCUKSQCOI-DCAQKATOSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1OCC[C@H]1CN1CC[C@@H](F)C1 639664314 347531087 /nfs/dbraw/zinc/53/10/87/347531087.db2.gz UVVDTBVGXPCQBT-LPEHRKFASA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@@]1(C)C[C@H](NCC(C)=O)C1(C)C 639662293 347531095 /nfs/dbraw/zinc/53/10/95/347531095.db2.gz JUEUMUBOVMMZIZ-ONGXEEELSA-N 0 3 199.294 1.369 20 0 ADADHN C[C@@H]1OCC[C@@H]1CN1CCOC[C@@H]1C 639659759 347531103 /nfs/dbraw/zinc/53/11/03/347531103.db2.gz OWABEBCUKSQCOI-GARJFASQSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@H]1OCC[C@@H]1CN1CC[C@@H](F)C1 639664315 347531115 /nfs/dbraw/zinc/53/11/15/347531115.db2.gz UVVDTBVGXPCQBT-OPRDCNLKSA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@@H]1[C@H](C)[C@H](NCC(C)=O)C1(C)C 639663478 347531136 /nfs/dbraw/zinc/53/11/36/347531136.db2.gz OTCUYUMWFORIDA-KXUCPTDWSA-N 0 3 199.294 1.225 20 0 ADADHN CO[C@]1(C)C[C@@H](NCC(C)=O)C1(C)C 639662292 347531213 /nfs/dbraw/zinc/53/12/13/347531213.db2.gz JUEUMUBOVMMZIZ-MWLCHTKSSA-N 0 3 199.294 1.369 20 0 ADADHN C[C@@H]1OCC[C@@H]1CN1CC[C@@H](F)C1 639664311 347531220 /nfs/dbraw/zinc/53/12/20/347531220.db2.gz UVVDTBVGXPCQBT-IVZWLZJFSA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@@H]1[C@@H](C)[C@@H](NCC(C)=O)C1(C)C 639663477 347531231 /nfs/dbraw/zinc/53/12/31/347531231.db2.gz OTCUYUMWFORIDA-IVZWLZJFSA-N 0 3 199.294 1.225 20 0 ADADHN C[C@H]1COCCN1C[C@H]1CCO[C@@H]1C 639659760 347531269 /nfs/dbraw/zinc/53/12/69/347531269.db2.gz OWABEBCUKSQCOI-HBNTYKKESA-N 0 3 199.294 1.132 20 0 ADADHN CCO[C@@H]1CCC[C@H]1NCC(C)=O 639667674 347531646 /nfs/dbraw/zinc/53/16/46/347531646.db2.gz INSALEYUIOOTSJ-NXEZZACHSA-N 0 3 185.267 1.123 20 0 ADADHN CO[C@@H]1C[C@@H](NCC(C)=O)C12CCC2 639671310 347531722 /nfs/dbraw/zinc/53/17/22/347531722.db2.gz PJQXDEBLRBJNEI-NXEZZACHSA-N 0 3 197.278 1.123 20 0 ADADHN CC(=O)CN1CC[C@@H](C2CCC2)C1 639675216 347531762 /nfs/dbraw/zinc/53/17/62/347531762.db2.gz ZNKSKEANIIKFIL-LLVKDONJSA-N 0 3 181.279 1.697 20 0 ADADHN CC(=O)CN1CC[C@H](C2CCC2)C1 639675217 347531831 /nfs/dbraw/zinc/53/18/31/347531831.db2.gz ZNKSKEANIIKFIL-NSHDSACASA-N 0 3 181.279 1.697 20 0 ADADHN CC(=O)CN1CC(C)(C)C[C@@H]1C 639676901 347531845 /nfs/dbraw/zinc/53/18/45/347531845.db2.gz BNULPLJCDUSFAR-QMMMGPOBSA-N 0 3 169.268 1.696 20 0 ADADHN CCO[C@@H]1CCCC[C@H]1NCC(C)=O 639668122 347531878 /nfs/dbraw/zinc/53/18/78/347531878.db2.gz LWIDLYHRIFFCSD-GHMZBOCLSA-N 0 3 199.294 1.513 20 0 ADADHN CO[C@@H]1C[C@H](NCC(C)=O)C12CCC2 639671312 347531943 /nfs/dbraw/zinc/53/19/43/347531943.db2.gz PJQXDEBLRBJNEI-VHSXEESVSA-N 0 3 197.278 1.123 20 0 ADADHN CO[C@H]1C[C@H](NCC(C)=O)C12CCC2 639671311 347531994 /nfs/dbraw/zinc/53/19/94/347531994.db2.gz PJQXDEBLRBJNEI-UWVGGRQHSA-N 0 3 197.278 1.123 20 0 ADADHN CC(=O)CN1CC(C)(C)C[C@H]1C 639676900 347532022 /nfs/dbraw/zinc/53/20/22/347532022.db2.gz BNULPLJCDUSFAR-MRVPVSSYSA-N 0 3 169.268 1.696 20 0 ADADHN CC(=O)CN1[C@H](C)CCC1(C)C 639668067 347532099 /nfs/dbraw/zinc/53/20/99/347532099.db2.gz KXZIATZHKJGJTC-MRVPVSSYSA-N 0 3 169.268 1.838 20 0 ADADHN CO[C@H]1C[C@@H](NCC(C)=O)C12CCC2 639671313 347532136 /nfs/dbraw/zinc/53/21/36/347532136.db2.gz PJQXDEBLRBJNEI-ZJUUUORDSA-N 0 3 197.278 1.123 20 0 ADADHN CC(=O)CN1[C@@H](C)CCC1(C)C 639668072 347532160 /nfs/dbraw/zinc/53/21/60/347532160.db2.gz KXZIATZHKJGJTC-QMMMGPOBSA-N 0 3 169.268 1.838 20 0 ADADHN CCCN1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C 639687595 347532584 /nfs/dbraw/zinc/53/25/84/347532584.db2.gz IMPFMZALXSYOFB-OPRDCNLKSA-N 0 3 198.310 1.336 20 0 ADADHN CCCN1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C 639687592 347532717 /nfs/dbraw/zinc/53/27/17/347532717.db2.gz IMPFMZALXSYOFB-IVZWLZJFSA-N 0 3 198.310 1.336 20 0 ADADHN CCCN1[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]1C 639687593 347533010 /nfs/dbraw/zinc/53/30/10/347533010.db2.gz IMPFMZALXSYOFB-KXUCPTDWSA-N 0 3 198.310 1.336 20 0 ADADHN COC1([C@@H](C)NCC(C)=O)CCC1 639678196 347533051 /nfs/dbraw/zinc/53/30/51/347533051.db2.gz WQPPRDYFTZUUNN-SECBINFHSA-N 0 3 185.267 1.123 20 0 ADADHN CCCN1[C@@H](C)[C@H](C)N(C)C(=O)[C@H]1C 639687594 347533116 /nfs/dbraw/zinc/53/31/16/347533116.db2.gz IMPFMZALXSYOFB-LPEHRKFASA-N 0 3 198.310 1.336 20 0 ADADHN COC1([C@H](C)NCC(C)=O)CCC1 639678197 347533152 /nfs/dbraw/zinc/53/31/52/347533152.db2.gz WQPPRDYFTZUUNN-VIFPVBQESA-N 0 3 185.267 1.123 20 0 ADADHN CC(=O)CNC1(C2CCC2)CC1 639732503 347533930 /nfs/dbraw/zinc/53/39/30/347533930.db2.gz RWOABVUDINUBSH-UHFFFAOYSA-N 0 3 167.252 1.498 20 0 ADADHN CO[C@@H]1CCCC[C@H]1NCC(C)=O 639731149 347533995 /nfs/dbraw/zinc/53/39/95/347533995.db2.gz QIKJUAGCOYCIGF-NXEZZACHSA-N 0 3 185.267 1.123 20 0 ADADHN CC(=O)CN1CCC[C@@H](C)[C@@H]1CCO 639801960 347535261 /nfs/dbraw/zinc/53/52/61/347535261.db2.gz SZKRGOVSXRWXJO-KOLCDFICSA-N 0 3 199.294 1.058 20 0 ADADHN CC(=O)CN1CCC[C@@H](C)[C@H]1CCO 639801961 347535490 /nfs/dbraw/zinc/53/54/90/347535490.db2.gz SZKRGOVSXRWXJO-MWLCHTKSSA-N 0 3 199.294 1.058 20 0 ADADHN CC(=O)CN1CCC[C@H](C)[C@@H]1CCO 639801963 347535608 /nfs/dbraw/zinc/53/56/08/347535608.db2.gz SZKRGOVSXRWXJO-ONGXEEELSA-N 0 3 199.294 1.058 20 0 ADADHN CC(=O)CN1CCC[C@H](C)[C@H]1CCO 639801944 347535994 /nfs/dbraw/zinc/53/59/94/347535994.db2.gz SZKRGOVSXRWXJO-GXSJLCMTSA-N 0 3 199.294 1.058 20 0 ADADHN CC(=O)CN(C)C[C@H]1CC1(C)C 639878598 347539192 /nfs/dbraw/zinc/53/91/92/347539192.db2.gz KKRBSKRSIYZNHN-SECBINFHSA-N 0 3 169.268 1.553 20 0 ADADHN CC(=O)CN(C)C[C@@H]1CC1(C)C 639878602 347539211 /nfs/dbraw/zinc/53/92/11/347539211.db2.gz KKRBSKRSIYZNHN-VIFPVBQESA-N 0 3 169.268 1.553 20 0 ADADHN CC(=O)CNC1(CC(C)C)CC1 639862554 347539493 /nfs/dbraw/zinc/53/94/93/347539493.db2.gz LUQDOHMQQOEBAP-UHFFFAOYSA-N 0 3 169.268 1.744 20 0 ADADHN COC[C@@](C)(CO)N[C@H]1C=CCCC1 639956529 347540907 /nfs/dbraw/zinc/54/09/07/347540907.db2.gz XWVDCNJFXGNSFI-WDEREUQCSA-N 0 3 199.294 1.082 20 0 ADADHN COC[C@](C)(CO)NCC1=CCCC1 639958271 347540938 /nfs/dbraw/zinc/54/09/38/347540938.db2.gz QRSZBXHWXYKHPF-NSHDSACASA-N 0 3 199.294 1.084 20 0 ADADHN Cc1n[nH]cc1CN(C)CCCCF 639971047 347541133 /nfs/dbraw/zinc/54/11/33/347541133.db2.gz MQTVMFNUAZQXMU-UHFFFAOYSA-N 0 3 199.273 1.900 20 0 ADADHN COC[C@@](C)(CO)NCC1=CCCC1 639958270 347541304 /nfs/dbraw/zinc/54/13/04/347541304.db2.gz QRSZBXHWXYKHPF-LLVKDONJSA-N 0 3 199.294 1.084 20 0 ADADHN COC[C@](C)(CO)N[C@H]1C=CCCC1 639956528 347541363 /nfs/dbraw/zinc/54/13/63/347541363.db2.gz XWVDCNJFXGNSFI-QWRGUYRKSA-N 0 3 199.294 1.082 20 0 ADADHN COC[C@@](C)(CO)N[C@@H]1C=CCCC1 639956526 347541387 /nfs/dbraw/zinc/54/13/87/347541387.db2.gz XWVDCNJFXGNSFI-GHMZBOCLSA-N 0 3 199.294 1.082 20 0 ADADHN COC[C@](C)(CO)N[C@@H]1C=CCCC1 639956527 347541433 /nfs/dbraw/zinc/54/14/33/347541433.db2.gz XWVDCNJFXGNSFI-MNOVXSKESA-N 0 3 199.294 1.082 20 0 ADADHN CCOCCN1CCC(C)(F)CC1 640070513 347544675 /nfs/dbraw/zinc/54/46/75/347544675.db2.gz JMCKSLGDNNHYQE-UHFFFAOYSA-N 0 3 189.274 1.847 20 0 ADADHN CCCn1cc([C@@H](N)C(C)(C)C)nn1 640753726 347557284 /nfs/dbraw/zinc/55/72/84/347557284.db2.gz XAILERNHSUNDFJ-SECBINFHSA-N 0 3 196.298 1.734 20 0 ADADHN CCCn1cc([C@H](N)C(C)(C)C)nn1 640753727 347557408 /nfs/dbraw/zinc/55/74/08/347557408.db2.gz XAILERNHSUNDFJ-VIFPVBQESA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@@H](N)c1cn(CC=C(C)C)nn1 640846305 347558110 /nfs/dbraw/zinc/55/81/10/347558110.db2.gz OSPXTSLLISPPJM-SECBINFHSA-N 0 3 194.282 1.654 20 0 ADADHN CC[C@H](N)c1cn(CC=C(C)C)nn1 640846306 347558462 /nfs/dbraw/zinc/55/84/62/347558462.db2.gz OSPXTSLLISPPJM-VIFPVBQESA-N 0 3 194.282 1.654 20 0 ADADHN CC[C@H](C)n1cc(CCN(C)C)nn1 640937726 347559032 /nfs/dbraw/zinc/55/90/32/347559032.db2.gz BHWOEUNTZLOZAU-VIFPVBQESA-N 0 3 196.298 1.353 20 0 ADADHN CC[C@@H](C)n1cc(CCN(C)C)nn1 640937725 347559208 /nfs/dbraw/zinc/55/92/08/347559208.db2.gz BHWOEUNTZLOZAU-SECBINFHSA-N 0 3 196.298 1.353 20 0 ADADHN CCn1cc([C@@H](N)C(C)(C)C)nn1 641187477 347562035 /nfs/dbraw/zinc/56/20/35/347562035.db2.gz LTOMGKZOEZDEPI-MRVPVSSYSA-N 0 3 182.271 1.344 20 0 ADADHN CCn1cc([C@H](N)C(C)(C)C)nn1 641187478 347562125 /nfs/dbraw/zinc/56/21/25/347562125.db2.gz LTOMGKZOEZDEPI-QMMMGPOBSA-N 0 3 182.271 1.344 20 0 ADADHN CC(C)[C@@H](C(=O)N1CC[C@H]1C)N(C)C 641240833 347564161 /nfs/dbraw/zinc/56/41/61/347564161.db2.gz IGUZEYAVNQVINE-ZJUUUORDSA-N 0 3 198.310 1.193 20 0 ADADHN CC(C)[C@@H](C(=O)N1CC[C@@H]1C)N(C)C 641240832 347564257 /nfs/dbraw/zinc/56/42/57/347564257.db2.gz IGUZEYAVNQVINE-UWVGGRQHSA-N 0 3 198.310 1.193 20 0 ADADHN C[C@H](C(=O)N(C)C)N1C2CCC1CC2 641442266 347572077 /nfs/dbraw/zinc/57/20/77/347572077.db2.gz WNSPSWKXVXABGL-XNWIYYODSA-N 0 3 196.294 1.090 20 0 ADADHN CN(C)CCN(C)c1ccncc1F 641424701 347572123 /nfs/dbraw/zinc/57/21/23/347572123.db2.gz HRALENKGJDQTHJ-UHFFFAOYSA-N 0 3 197.257 1.219 20 0 ADADHN C[C@@H](C(=O)N(C)C)N1C2CCC1CC2 641442260 347572394 /nfs/dbraw/zinc/57/23/94/347572394.db2.gz WNSPSWKXVXABGL-IDKOKCKLSA-N 0 3 196.294 1.090 20 0 ADADHN CC1(C)C[C@H]1NCc1ccncc1N 641709436 347580011 /nfs/dbraw/zinc/58/00/11/347580011.db2.gz LIAGCFJLYTUXBN-SNVBAGLBSA-N 0 3 191.278 1.552 20 0 ADADHN CC1(C)C[C@@H]1NCc1ccncc1N 641709435 347580018 /nfs/dbraw/zinc/58/00/18/347580018.db2.gz LIAGCFJLYTUXBN-JTQLQIEISA-N 0 3 191.278 1.552 20 0 ADADHN CCCNC(=O)CN(C(C)C)C1CC1 641976837 347587208 /nfs/dbraw/zinc/58/72/08/347587208.db2.gz HGEYHYFYBWUALR-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)N(CC(=O)NC1CC1)C1CC1 642094023 347588738 /nfs/dbraw/zinc/58/87/38/347588738.db2.gz MLOSYYGCUNSYGK-UHFFFAOYSA-N 0 3 196.294 1.138 20 0 ADADHN CC(C)CN(CC(=O)N(C)C)C1CC1 642094203 347588970 /nfs/dbraw/zinc/58/89/70/347588970.db2.gz PWEBFWVLDNJYFJ-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)OCCN(C)C1CC1 642189381 347590045 /nfs/dbraw/zinc/59/00/45/347590045.db2.gz FRFTXTXGXNKCGG-UHFFFAOYSA-N 0 3 157.257 1.506 20 0 ADADHN CCCN(CCC)CC(=O)N1CCC1 642188007 347590054 /nfs/dbraw/zinc/59/00/54/347590054.db2.gz PTPLROGTOPIXHY-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CCCCN(CC)CC(=O)N1CCC1 642188001 347590070 /nfs/dbraw/zinc/59/00/70/347590070.db2.gz OVBOJZDZCVYSCM-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CN(CCc1ccccn1)C1CC1 642189486 347590225 /nfs/dbraw/zinc/59/02/25/347590225.db2.gz TXIFIKHGJSCFJE-UHFFFAOYSA-N 0 3 176.263 1.718 20 0 ADADHN C[C@@H](CNC(=O)C1CCCC1)N(C)C 642152503 347590315 /nfs/dbraw/zinc/59/03/15/347590315.db2.gz HKNSYZDORGGTSN-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N(CC(=O)N1CCC1)C1CC1 642187951 347590359 /nfs/dbraw/zinc/59/03/59/347590359.db2.gz QYZROYWLWOMUJK-UHFFFAOYSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@H](CNC(=O)C1CCCC1)N(C)C 642152502 347590363 /nfs/dbraw/zinc/59/03/63/347590363.db2.gz HKNSYZDORGGTSN-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCCN(CC(=O)N(C)C)C1CC1 642189428 347590407 /nfs/dbraw/zinc/59/04/07/347590407.db2.gz PKTVPBGSCZVRSK-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCNC(=O)CN1CCC[C@H](CC)C1 642252684 347591831 /nfs/dbraw/zinc/59/18/31/347591831.db2.gz MIKQPXIMFGYFTM-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CC(C)[C@H](C)N(C)CC(=O)NC1CC1 642253202 347591899 /nfs/dbraw/zinc/59/18/99/347591899.db2.gz OKXNIZNCKBCGOX-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)[C@@H](C)N(C)CC(=O)NC1CC1 642253201 347591952 /nfs/dbraw/zinc/59/19/52/347591952.db2.gz OKXNIZNCKBCGOX-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CCNC(=O)CN1CCC[C@@H](CC)C1 642252689 347592139 /nfs/dbraw/zinc/59/21/39/347592139.db2.gz MIKQPXIMFGYFTM-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CCC[C@H](C)N(C)CC(=O)NC1CC1 642253527 347592261 /nfs/dbraw/zinc/59/22/61/347592261.db2.gz SNNNLEIHFLIUOB-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CCC[C@@H](C)N(C)CC(=O)NC1CC1 642253526 347592291 /nfs/dbraw/zinc/59/22/91/347592291.db2.gz SNNNLEIHFLIUOB-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCC[C@H](C)N(C)CC(=O)N1CCC1 642330822 347593173 /nfs/dbraw/zinc/59/31/73/347593173.db2.gz SKORSAPFXGRFSQ-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCN(C)C(=O)CN1C2CCC1CC2 642329005 347593206 /nfs/dbraw/zinc/59/32/06/347593206.db2.gz YVSBFYODYGTEDJ-UHFFFAOYSA-N 0 3 196.294 1.092 20 0 ADADHN CCN(C)C(=O)CN(C)[C@H](C)C1CC1 642328968 347593238 /nfs/dbraw/zinc/59/32/38/347593238.db2.gz LPKFSYADVXDZSO-SECBINFHSA-N 0 3 198.310 1.195 20 0 ADADHN CCN(C)C(=O)CN(C)[C@@H](C)C1CC1 642328969 347593264 /nfs/dbraw/zinc/59/32/64/347593264.db2.gz LPKFSYADVXDZSO-VIFPVBQESA-N 0 3 198.310 1.195 20 0 ADADHN CCN(C)C(=O)CN(C)C1CCCC1 642328899 347593287 /nfs/dbraw/zinc/59/32/87/347593287.db2.gz ILAAPRXFAJXNCV-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(C)C(=O)CN(C(C)C)C1CC1 642329884 347593375 /nfs/dbraw/zinc/59/33/75/347593375.db2.gz FURCRPYQLSLPDV-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)[C@H](C)N(C)CC(=O)N1CCC1 642330286 347593497 /nfs/dbraw/zinc/59/34/97/347593497.db2.gz OVQFPZCNVYBEHE-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)[C@@H](C)N(C)CC(=O)N1CCC1 642330287 347593508 /nfs/dbraw/zinc/59/35/08/347593508.db2.gz OVQFPZCNVYBEHE-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CCC[C@@H](C)N(C)CC(=O)N1CCC1 642330823 347593544 /nfs/dbraw/zinc/59/35/44/347593544.db2.gz SKORSAPFXGRFSQ-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(CC(=O)N1CCC1)CC(C)C 642526662 347595168 /nfs/dbraw/zinc/59/51/68/347595168.db2.gz FPHKJRGWYPOGES-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCCCN(CC(=O)NCC)C1CC1 642529748 347595193 /nfs/dbraw/zinc/59/51/93/347595193.db2.gz VSCDPLCLBOWDRP-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCN(CC(=O)NC1CC1)CC(C)C 642527024 347595324 /nfs/dbraw/zinc/59/53/24/347595324.db2.gz XQLUEZAATJDBMG-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCC(=O)NCCN1CCC[C@H](C)C1 642568004 347595969 /nfs/dbraw/zinc/59/59/69/347595969.db2.gz DDAQDEJVCDZEPA-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN C[C@H]1CO[C@H](C)CN1C[C@H]1CCOC1 642620356 347596486 /nfs/dbraw/zinc/59/64/86/347596486.db2.gz NDFZQFMUUMCSPV-HBNTYKKESA-N 0 3 199.294 1.132 20 0 ADADHN C[C@H]1CN(C[C@H]2CCOC2)C[C@@H](C)O1 642619506 347596558 /nfs/dbraw/zinc/59/65/58/347596558.db2.gz AAXOQTXWFFWVCU-OUAUKWLOSA-N 0 3 199.294 1.132 20 0 ADADHN CC(C)N(CC(N)=O)CC1CCCC1 642620363 347596598 /nfs/dbraw/zinc/59/65/98/347596598.db2.gz QHRGJYJPRORZQU-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CCCN(C)Cc1cnn(C)c1 642619626 347596613 /nfs/dbraw/zinc/59/66/13/347596613.db2.gz OTMYSFUFLWGBKF-UHFFFAOYSA-N 0 3 167.256 1.262 20 0 ADADHN C[C@H]1CN(C[C@@H]2CCOC2)C[C@@H](C)O1 642619503 347596684 /nfs/dbraw/zinc/59/66/84/347596684.db2.gz AAXOQTXWFFWVCU-AXFHLTTASA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1CN(C[C@H]2CCOC2)[C@H](C)CO1 642620355 347596690 /nfs/dbraw/zinc/59/66/90/347596690.db2.gz NDFZQFMUUMCSPV-GMTAPVOTSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@H]1CO[C@H](C)CN1C[C@@H]1CCOC1 642620354 347596700 /nfs/dbraw/zinc/59/67/00/347596700.db2.gz NDFZQFMUUMCSPV-AXFHLTTASA-N 0 3 199.294 1.132 20 0 ADADHN CN(Cc1ccco1)C[C@H]1CCOC1 642619673 347596722 /nfs/dbraw/zinc/59/67/22/347596722.db2.gz CXQUFXCWFXFCLS-SNVBAGLBSA-N 0 3 195.262 1.748 20 0 ADADHN C[C@@H]1CN(C[C@@H]2CCOC2)[C@H](C)CO1 642620357 347596743 /nfs/dbraw/zinc/59/67/43/347596743.db2.gz NDFZQFMUUMCSPV-MXWKQRLJSA-N 0 3 199.294 1.132 20 0 ADADHN CN(Cc1ccco1)C[C@@H]1CCOC1 642619672 347596794 /nfs/dbraw/zinc/59/67/94/347596794.db2.gz CXQUFXCWFXFCLS-JTQLQIEISA-N 0 3 195.262 1.748 20 0 ADADHN CN(CC(=O)N(C)C)CC1CCCC1 642620724 347597134 /nfs/dbraw/zinc/59/71/34/347597134.db2.gz GTDULMZRDFBUEK-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN NC(=O)CN(C1CCCCC1)C1CC1 642634259 347597613 /nfs/dbraw/zinc/59/76/13/347597613.db2.gz RAZVJKNQRJNFRE-UHFFFAOYSA-N 0 3 196.294 1.269 20 0 ADADHN CNC(=O)CN(CCC(C)C)C1CC1 642634702 347598043 /nfs/dbraw/zinc/59/80/43/347598043.db2.gz JNNJCNYUXDOKEP-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCNC(=O)CN(CC)C1CCCC1 642642614 347598076 /nfs/dbraw/zinc/59/80/76/347598076.db2.gz KYBREIWXQLROFU-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN COCCCN(C)Cc1ccco1 642637025 347598446 /nfs/dbraw/zinc/59/84/46/347598446.db2.gz SCYPQXPIOZSPDS-UHFFFAOYSA-N 0 3 183.251 1.748 20 0 ADADHN CC[C@H](CN1CCSCC1)OC 642680015 347599105 /nfs/dbraw/zinc/59/91/05/347599105.db2.gz FSKPTMMKQXEAOG-SECBINFHSA-N 0 3 189.324 1.460 20 0 ADADHN CCN(CC(=O)N(C)C)C1CCCC1 642642607 347598737 /nfs/dbraw/zinc/59/87/37/347598737.db2.gz IDMHNEPKWAXUAM-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@@H](CN1CCSCC1)OC 642680016 347599446 /nfs/dbraw/zinc/59/94/46/347599446.db2.gz FSKPTMMKQXEAOG-VIFPVBQESA-N 0 3 189.324 1.460 20 0 ADADHN CC[C@@H](CN1CCCOCC1)OC 642682912 347599775 /nfs/dbraw/zinc/59/97/75/347599775.db2.gz ZAHHWQJUUJCSQP-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@H](CN(C)[C@@H]1CCOC1)OC 642686715 347599868 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C[C@@H]1CN(Cc2c[nH]cn2)[C@H](C)[C@H]1C 642722187 347603890 /nfs/dbraw/zinc/60/38/90/347603890.db2.gz ISQQODVUBCYJDA-KXUCPTDWSA-N 0 3 193.294 1.886 20 0 ADADHN C[C@@H]1CN(Cc2cn[nH]n2)[C@H](C)[C@@H]1C 642722015 347603950 /nfs/dbraw/zinc/60/39/50/347603950.db2.gz YLEWVZKMVMDACD-IWSPIJDZSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1CN(Cc2c[nH]cn2)[C@H](C)[C@@H]1C 642722188 347603980 /nfs/dbraw/zinc/60/39/80/347603980.db2.gz ISQQODVUBCYJDA-OPRDCNLKSA-N 0 3 193.294 1.886 20 0 ADADHN C[C@@H]1CN(Cc2cn[nH]n2)[C@@H](C)[C@H]1C 642722016 347604040 /nfs/dbraw/zinc/60/40/40/347604040.db2.gz YLEWVZKMVMDACD-VGMNWLOBSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1CN(Cc2cn[nH]n2)[C@@H](C)[C@@H]1C 642722013 347604064 /nfs/dbraw/zinc/60/40/64/347604064.db2.gz YLEWVZKMVMDACD-HLTSFMKQSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1CN(Cc2cn[nH]n2)[C@H](C)[C@H]1C 642722014 347604186 /nfs/dbraw/zinc/60/41/86/347604186.db2.gz YLEWVZKMVMDACD-HRDYMLBCSA-N 0 3 194.282 1.281 20 0 ADADHN C[C@@H]1CN(Cc2c[nH]cn2)[C@@H](C)[C@@H]1C 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/nfs/dbraw/zinc/37/11/52/351371152.db2.gz FYFOKADMYIIUER-UHFFFAOYSA-N 0 3 194.278 1.334 20 0 ADADHN c1ccn2cc(CNC3CC3)nc2c1 19386774 351389257 /nfs/dbraw/zinc/38/92/57/351389257.db2.gz YIPYMGUDENOFML-UHFFFAOYSA-N 0 3 187.246 1.586 20 0 ADADHN CC(C)CCNC(=O)[C@H]1CCCCN1 19408514 351389445 /nfs/dbraw/zinc/38/94/45/351389445.db2.gz MFGXGMDZQMNBSK-SNVBAGLBSA-N 0 3 198.310 1.291 20 0 ADADHN CC(C)C[C@@H](N)C(=O)NC1CCCC1 19476582 351391535 /nfs/dbraw/zinc/39/15/35/351391535.db2.gz YCJAYBVRGMMWPV-SNVBAGLBSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)NC(=O)C1(N)CCCCC1 19517033 351392153 /nfs/dbraw/zinc/39/21/53/351392153.db2.gz JTIJSEJHCRUJDS-SECBINFHSA-N 0 3 198.310 1.563 20 0 ADADHN CC(C)CCNC(=O)[C@H](N)C(C)C 19513498 351392201 /nfs/dbraw/zinc/39/22/01/351392201.db2.gz LYVDLDISZJUBRP-SECBINFHSA-N 0 3 186.299 1.132 20 0 ADADHN c1coc(CNCC2CC2)c1 19884703 351398236 /nfs/dbraw/zinc/39/82/36/351398236.db2.gz CXGVDRJBZSXWPK-UHFFFAOYSA-N 0 3 151.209 1.779 20 0 ADADHN c1ccc(CNC[C@@H]2CCOC2)nc1 19957862 351398918 /nfs/dbraw/zinc/39/89/18/351398918.db2.gz ULEWBOVYYLNQKA-JTQLQIEISA-N 0 3 192.262 1.208 20 0 ADADHN c1ccc(CNC[C@H]2CCOC2)nc1 19957866 351398955 /nfs/dbraw/zinc/39/89/55/351398955.db2.gz ULEWBOVYYLNQKA-SNVBAGLBSA-N 0 3 192.262 1.208 20 0 ADADHN OCCCNCc1cccc(F)c1 20187763 351401256 /nfs/dbraw/zinc/40/12/56/351401256.db2.gz HRTPLJZVCIEOFR-UHFFFAOYSA-N 0 3 183.226 1.298 20 0 ADADHN c1coc(CNCCN2CCCC2)c1 20126771 351401968 /nfs/dbraw/zinc/40/19/68/351401968.db2.gz SHGSQFSTJUFBDA-UHFFFAOYSA-N 0 3 194.278 1.465 20 0 ADADHN C[C@@H]1CNCC2(CCCC2)O1 20262973 351402942 /nfs/dbraw/zinc/40/29/42/351402942.db2.gz UTVSZYNMYJKCEY-MRVPVSSYSA-N 0 3 155.241 1.308 20 0 ADADHN OCCNCc1cc2ccccc2o1 20305934 351404162 /nfs/dbraw/zinc/40/41/62/351404162.db2.gz PWOBVVLXPMJERT-UHFFFAOYSA-N 0 3 191.230 1.515 20 0 ADADHN c1coc(CNC2CCOCC2)c1 20479698 351406333 /nfs/dbraw/zinc/40/63/33/351406333.db2.gz PHUPZYYCGOHUAI-UHFFFAOYSA-N 0 3 181.235 1.548 20 0 ADADHN c1coc(CN[C@@H]2CCSC2)c1 22166836 351412453 /nfs/dbraw/zinc/41/24/53/351412453.db2.gz APQSLYYKLMVSJN-MRVPVSSYSA-N 0 3 183.276 1.875 20 0 ADADHN c1coc(CNC[C@@H]2CCOC2)c1 22144308 351412479 /nfs/dbraw/zinc/41/24/79/351412479.db2.gz MVIHMVZZCSTKIT-VIFPVBQESA-N 0 3 181.235 1.406 20 0 ADADHN c1coc(CN[C@H]2CCSC2)c1 22166839 351412497 /nfs/dbraw/zinc/41/24/97/351412497.db2.gz APQSLYYKLMVSJN-QMMMGPOBSA-N 0 3 183.276 1.875 20 0 ADADHN c1coc(CNC[C@H]2CCOC2)c1 22144310 351412566 /nfs/dbraw/zinc/41/25/66/351412566.db2.gz MVIHMVZZCSTKIT-SECBINFHSA-N 0 3 181.235 1.406 20 0 ADADHN c1ccc2[nH]c(CNC3CC3)nc2c1 22863391 351414747 /nfs/dbraw/zinc/41/47/47/351414747.db2.gz JYYQBSZWLNWSQL-UHFFFAOYSA-N 0 3 187.246 1.815 20 0 ADADHN CC[C@@H](C)NCc1ncc[nH]1 22861405 351414801 /nfs/dbraw/zinc/41/48/01/351414801.db2.gz COVUXBAGPYPNIL-SSDOTTSWSA-N 0 3 153.229 1.298 20 0 ADADHN CC[C@@H](C)NCc1nccn1CC 22861686 351414886 /nfs/dbraw/zinc/41/48/86/351414886.db2.gz VTWPBGLZIILXDF-SECBINFHSA-N 0 3 181.283 1.791 20 0 ADADHN c1ccc([C@H]2CCN2)nc1 23894341 351415678 /nfs/dbraw/zinc/41/56/78/351415678.db2.gz HJZDRJCJLHAPQR-MRVPVSSYSA-N 0 3 134.182 1.116 20 0 ADADHN c1coc(CNC2CCC2)c1 26511110 351419759 /nfs/dbraw/zinc/41/97/59/351419759.db2.gz DTWLVWHXWSHPMV-UHFFFAOYSA-N 0 3 151.209 1.922 20 0 ADADHN CC(C)(O)CNCc1ccco1 32006563 351424098 /nfs/dbraw/zinc/42/40/98/351424098.db2.gz ULUNJCOWLCDPHL-UHFFFAOYSA-N 0 3 169.224 1.140 20 0 ADADHN O[C@@H]1CCCN(Cc2cccs2)C1 34076425 351434636 /nfs/dbraw/zinc/43/46/36/351434636.db2.gz RYLQQBHHFIIAHU-SECBINFHSA-N 0 3 197.303 1.705 20 0 ADADHN O[C@H]1CCCN(Cc2cccs2)C1 34076424 351434489 /nfs/dbraw/zinc/43/44/89/351434489.db2.gz RYLQQBHHFIIAHU-VIFPVBQESA-N 0 3 197.303 1.705 20 0 ADADHN OC[C@H]1CCN(Cc2cccs2)C1 34180349 351436940 /nfs/dbraw/zinc/43/69/40/351436940.db2.gz SELBPLXJCOLEIH-VIFPVBQESA-N 0 3 197.303 1.562 20 0 ADADHN OC[C@@H]1CCN(Cc2cccs2)C1 34180350 351436991 /nfs/dbraw/zinc/43/69/91/351436991.db2.gz SELBPLXJCOLEIH-SECBINFHSA-N 0 3 197.303 1.562 20 0 ADADHN c1scc2c1CNC2 34536839 351442562 /nfs/dbraw/zinc/44/25/62/351442562.db2.gz CQTYDCWVBWBDBH-UHFFFAOYSA-N 0 3 125.196 1.351 20 0 ADADHN CC(C)=CCN1CCC(O)CC1 35018247 351447872 /nfs/dbraw/zinc/44/78/72/351447872.db2.gz KJOKXRRRIAIZSM-UHFFFAOYSA-N 0 3 169.268 1.409 20 0 ADADHN CC(C)CN(CC(C)C)C(=O)CN 35133194 351448056 /nfs/dbraw/zinc/44/80/56/351448056.db2.gz WCQKFYUNVNTZQA-UHFFFAOYSA-N 0 3 186.299 1.086 20 0 ADADHN OCCCN1CCc2sccc2C1 35119428 351448082 /nfs/dbraw/zinc/44/80/82/351448082.db2.gz RZOFGACTSNTZKX-UHFFFAOYSA-N 0 3 197.303 1.489 20 0 ADADHN OCCNC/C=C\c1ccccc1 35535684 351450363 /nfs/dbraw/zinc/45/03/63/351450363.db2.gz SKTUNMLBMMTJHS-DAXSKMNVSA-N 0 3 177.247 1.282 20 0 ADADHN C[C@@H]1C[C@H](N)c2cc(F)ccc2O1 35749548 351453634 /nfs/dbraw/zinc/45/36/34/351453634.db2.gz KQUSNUBHADVPBO-MUWHJKNJSA-N 0 3 181.210 1.997 20 0 ADADHN CC[C@@H](C)NCc1cc[nH]n1 36899947 351459601 /nfs/dbraw/zinc/45/96/01/351459601.db2.gz ODEUIXHLOIRMMB-SSDOTTSWSA-N 0 3 153.229 1.298 20 0 ADADHN c1cc(CNCC2CCCC2)n[nH]1 36900326 351459667 /nfs/dbraw/zinc/45/96/67/351459667.db2.gz QIYXWRKNTIXUTR-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN c1cc(CNCC2CCC2)n[nH]1 36900317 351460315 /nfs/dbraw/zinc/46/03/15/351460315.db2.gz WNKBMTIPMOIXEB-UHFFFAOYSA-N 0 3 165.240 1.299 20 0 ADADHN c1cc(CNC2CCCC2)n[nH]1 36899950 351460356 /nfs/dbraw/zinc/46/03/56/351460356.db2.gz HYIYGZQKXMCIFS-UHFFFAOYSA-N 0 3 165.240 1.442 20 0 ADADHN CC(C)CN(C)C(=O)[C@@H]1CCCCN1 37108616 351463580 /nfs/dbraw/zinc/46/35/80/351463580.db2.gz GIBZDEPRAPWHIU-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)CN(C)C(=O)[C@H]1CCCCN1 37108617 351463602 /nfs/dbraw/zinc/46/36/02/351463602.db2.gz GIBZDEPRAPWHIU-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN c1ccc(CNCC2CCC2)nc1 37179638 351464414 /nfs/dbraw/zinc/46/44/14/351464414.db2.gz IGNMKMNMHQFEMO-UHFFFAOYSA-N 0 3 176.263 1.971 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)NCC1CCC1 37180821 351464612 /nfs/dbraw/zinc/46/46/12/351464612.db2.gz JDBNWFDWCSMRDI-SCZZXKLOSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)N)C1 37256194 351465131 /nfs/dbraw/zinc/46/51/31/351465131.db2.gz BWCTWCJXGNBDSC-IWSPIJDZSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N)C1 37256190 351465766 /nfs/dbraw/zinc/46/57/66/351465766.db2.gz BWCTWCJXGNBDSC-HLTSFMKQSA-N 0 3 184.283 1.029 20 0 ADADHN c1ccc2c(c1)C[C@@H]1NCCO[C@H]21 37405057 351467862 /nfs/dbraw/zinc/46/78/62/351467862.db2.gz FSLMFLKQWNNSKH-WDEREUQCSA-N 0 3 175.231 1.272 20 0 ADADHN c1ccc2c(c1)C[C@H]1NCCO[C@H]21 37405056 351467937 /nfs/dbraw/zinc/46/79/37/351467937.db2.gz FSLMFLKQWNNSKH-GHMZBOCLSA-N 0 3 175.231 1.272 20 0 ADADHN c1ccc2c(c1)C[C@H]1NCCO[C@@H]21 37405058 351468127 /nfs/dbraw/zinc/46/81/27/351468127.db2.gz FSLMFLKQWNNSKH-MNOVXSKESA-N 0 3 175.231 1.272 20 0 ADADHN CC(C)CN(C)C(=O)C1(N)CCCC1 37479453 351468885 /nfs/dbraw/zinc/46/88/85/351468885.db2.gz FWKPLCGDCPITSH-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CCNC(=O)C1(N)CCCC1 37479379 351468900 /nfs/dbraw/zinc/46/89/00/351468900.db2.gz WDPQHUBBUVGNKN-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN c1cc(CNC2CCCCC2)n[nH]1 37507436 351470080 /nfs/dbraw/zinc/47/00/80/351470080.db2.gz SSHYSBLCBWCDER-UHFFFAOYSA-N 0 3 179.267 1.832 20 0 ADADHN CC[C@@H](C)NC(=O)C1(N)CCCC1 37479348 351469137 /nfs/dbraw/zinc/46/91/37/351469137.db2.gz XDXGNYKLADKJSN-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN C[C@@H](c1ccccc1)N(C)C(=O)CN 37495229 351469640 /nfs/dbraw/zinc/46/96/40/351469640.db2.gz LQPPBJISSKFKGI-VIFPVBQESA-N 0 3 192.262 1.165 20 0 ADADHN CC[C@@H](C)NCc1cccnc1OC 37485427 351469796 /nfs/dbraw/zinc/46/97/96/351469796.db2.gz ARBUYSYYHKTWTA-SECBINFHSA-N 0 3 194.278 1.978 20 0 ADADHN O[C@H]1CCCC[C@H]1NCc1ccco1 37490551 351469889 /nfs/dbraw/zinc/46/98/89/351469889.db2.gz YGPPAWHZJFBRSC-MNOVXSKESA-N 0 3 195.262 1.673 20 0 ADADHN O[C@@H]1CCC[C@H]1NCc1ccco1 37489861 351469955 /nfs/dbraw/zinc/46/99/55/351469955.db2.gz RZNZIBUOFIQOEW-NXEZZACHSA-N 0 3 181.235 1.283 20 0 ADADHN O[C@@H]1CCCC[C@@H]1NCc1ccco1 37490554 351470003 /nfs/dbraw/zinc/47/00/03/351470003.db2.gz YGPPAWHZJFBRSC-WDEREUQCSA-N 0 3 195.262 1.673 20 0 ADADHN OCCCNCc1ccc(Cl)o1 37486967 351470097 /nfs/dbraw/zinc/47/00/97/351470097.db2.gz BRUBIWDXOOWCOJ-UHFFFAOYSA-N 0 3 189.642 1.405 20 0 ADADHN CC(C)(O)CNCc1ccccc1F 37692234 351471868 /nfs/dbraw/zinc/47/18/68/351471868.db2.gz DEFDZVJAMVOAFQ-UHFFFAOYSA-N 0 3 197.253 1.686 20 0 ADADHN CC(C)(O)CNCc1cccc(F)c1 37692265 351471894 /nfs/dbraw/zinc/47/18/94/351471894.db2.gz XUNJTDPAHQAGSA-UHFFFAOYSA-N 0 3 197.253 1.686 20 0 ADADHN C[C@@H](c1cccs1)N(C)C(=O)CN 37821242 351473770 /nfs/dbraw/zinc/47/37/70/351473770.db2.gz WIVGMJRKAACLSF-ZETCQYMHSA-N 0 3 198.291 1.226 20 0 ADADHN CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C 37912041 351475464 /nfs/dbraw/zinc/47/54/64/351475464.db2.gz GPMAQKLUQCNJCX-UWVGGRQHSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H]1CCCN1C(=O)C1(N)CCCC1 37911958 351475579 /nfs/dbraw/zinc/47/55/79/351475579.db2.gz VMDKZUPXRWRUGM-SECBINFHSA-N 0 3 196.294 1.269 20 0 ADADHN CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C 37912040 351475666 /nfs/dbraw/zinc/47/56/66/351475666.db2.gz GPMAQKLUQCNJCX-ZJUUUORDSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1 37911972 351475802 /nfs/dbraw/zinc/47/58/02/351475802.db2.gz BMFRBVQLSPUKJN-NXEZZACHSA-N 0 3 196.294 1.139 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1 37911970 351475964 /nfs/dbraw/zinc/47/59/64/351475964.db2.gz BMFRBVQLSPUKJN-ZJUUUORDSA-N 0 3 196.294 1.139 20 0 ADADHN C[C@@H]1CCC[C@@H](NCc2nc[nH]n2)C1 37919142 351476676 /nfs/dbraw/zinc/47/66/76/351476676.db2.gz QMIPQIYGPGZARO-RKDXNWHRSA-N 0 3 194.282 1.473 20 0 ADADHN C[C@@H]1CCC[C@H](NCc2nc[nH]n2)C1 37919140 351476689 /nfs/dbraw/zinc/47/66/89/351476689.db2.gz QMIPQIYGPGZARO-BDAKNGLRSA-N 0 3 194.282 1.473 20 0 ADADHN c1cnc(CNC2CCCCC2)cn1 37927368 351477102 /nfs/dbraw/zinc/47/71/02/351477102.db2.gz FDALQYXICDKSFF-UHFFFAOYSA-N 0 3 191.278 1.899 20 0 ADADHN c1cnc(CNC2CCCC2)cn1 37927319 351477457 /nfs/dbraw/zinc/47/74/57/351477457.db2.gz LLSIHLIYZUSWOL-UHFFFAOYSA-N 0 3 177.251 1.509 20 0 ADADHN c1coc(CNC[C@@H]2CCCOC2)c1 38043782 351478098 /nfs/dbraw/zinc/47/80/98/351478098.db2.gz ATHPPMBAFZEDPC-JTQLQIEISA-N 0 3 195.262 1.796 20 0 ADADHN c1coc(CNC[C@H]2CCCOC2)c1 38043783 351478419 /nfs/dbraw/zinc/47/84/19/351478419.db2.gz ATHPPMBAFZEDPC-SNVBAGLBSA-N 0 3 195.262 1.796 20 0 ADADHN OCc1ccc(CN2CCCCC2)o1 38434860 351480938 /nfs/dbraw/zinc/48/09/38/351480938.db2.gz JUIJGGYDHOOPAB-UHFFFAOYSA-N 0 3 195.262 1.758 20 0 ADADHN O[C@@H]1CCN(Cc2cccs2)C1 38539032 351481865 /nfs/dbraw/zinc/48/18/65/351481865.db2.gz BNUNYUGUHBNHSM-MRVPVSSYSA-N 0 3 183.276 1.315 20 0 ADADHN O[C@H]1CCN(Cc2cccs2)C1 38539030 351482321 /nfs/dbraw/zinc/48/23/21/351482321.db2.gz BNUNYUGUHBNHSM-QMMMGPOBSA-N 0 3 183.276 1.315 20 0 ADADHN CC[C@@H](C)N1CCN(C)CC1 39113525 351492352 /nfs/dbraw/zinc/49/23/52/351492352.db2.gz UOPPHGCAWSUIAW-SECBINFHSA-N 0 3 156.273 1.032 20 0 ADADHN C[C@@H]1Cc2sccc2CN1 39123420 351494670 /nfs/dbraw/zinc/49/46/70/351494670.db2.gz QKVPIYNGWXJVJC-ZCFIWIBFSA-N 0 3 153.250 1.782 20 0 ADADHN CC(C)CCN1CCOCC1 39271148 351500369 /nfs/dbraw/zinc/50/03/69/351500369.db2.gz PWPUPXJJCPIOGY-UHFFFAOYSA-N 0 3 157.257 1.365 20 0 ADADHN CC(C)CCC[C@H](C)NC(=O)CN 40430771 351506850 /nfs/dbraw/zinc/50/68/50/351506850.db2.gz YMZWOVRYDQMQLN-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN CC(C)CCC[C@@H](C)NC(=O)CN 40430769 351507014 /nfs/dbraw/zinc/50/70/14/351507014.db2.gz YMZWOVRYDQMQLN-SECBINFHSA-N 0 3 186.299 1.276 20 0 ADADHN c1nc(CNC[C@H]2CCOC2)cs1 40505235 351507902 /nfs/dbraw/zinc/50/79/02/351507902.db2.gz RUKZJDPMQYJHKW-MRVPVSSYSA-N 0 3 198.291 1.269 20 0 ADADHN c1nc(CNCC2CC2)cs1 40504058 351507917 /nfs/dbraw/zinc/50/79/17/351507917.db2.gz AOLVBJSTHNUGQL-UHFFFAOYSA-N 0 3 168.265 1.643 20 0 ADADHN C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C 40468909 351508121 /nfs/dbraw/zinc/50/81/21/351508121.db2.gz SXNZFVSMMXQSGG-RKDXNWHRSA-N 0 3 198.310 1.371 20 0 ADADHN OCc1ccc(CN2CCCC2)o1 40542580 351508629 /nfs/dbraw/zinc/50/86/29/351508629.db2.gz POLAFJCRVYXYDM-UHFFFAOYSA-N 0 3 181.235 1.368 20 0 endogenous,in-man ADADHN C[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 40724773 351509892 /nfs/dbraw/zinc/50/98/92/351509892.db2.gz STOWZDQVRQAHCY-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN CC(C)C[C@H](N)C(=O)N1CC[C@@H](C)C1 40724583 351510020 /nfs/dbraw/zinc/51/00/20/351510020.db2.gz RDCOPHUVQZGVIJ-ZJUUUORDSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 40724484 351510081 /nfs/dbraw/zinc/51/00/81/351510081.db2.gz IYNOPKNZTFPNNB-RKDXNWHRSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)C[C@H](N)C(=O)N1CC[C@H](C)C1 40724585 351510331 /nfs/dbraw/zinc/51/03/31/351510331.db2.gz RDCOPHUVQZGVIJ-UWVGGRQHSA-N 0 3 198.310 1.228 20 0 ADADHN OCCCCNCc1ccccc1F 40744126 351510568 /nfs/dbraw/zinc/51/05/68/351510568.db2.gz UNNLRBJZHMCNAH-UHFFFAOYSA-N 0 3 197.253 1.688 20 0 ADADHN OCCCCNCc1ccsc1 40744342 351511841 /nfs/dbraw/zinc/51/18/41/351511841.db2.gz XCBCKTRBLLBAKH-UHFFFAOYSA-N 0 3 185.292 1.610 20 0 ADADHN c1coc(CNCC2CCOCC2)c1 40887152 351511943 /nfs/dbraw/zinc/51/19/43/351511943.db2.gz KGNFFBWXASREDI-UHFFFAOYSA-N 0 3 195.262 1.796 20 0 ADADHN c1cc(CNC2CCCC2)on1 41042027 351514957 /nfs/dbraw/zinc/51/49/57/351514957.db2.gz YAXAVTGMIPJCNR-UHFFFAOYSA-N 0 3 166.224 1.707 20 0 ADADHN C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N 40920240 351512760 /nfs/dbraw/zinc/51/27/60/351512760.db2.gz BPFPPLHFZZVJAX-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)n1cc(CN)cn1 40930740 351512767 /nfs/dbraw/zinc/51/27/67/351512767.db2.gz QEOSQLWPGIKPSC-SSDOTTSWSA-N 0 3 153.229 1.313 20 0 ADADHN C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N 40920234 351512862 /nfs/dbraw/zinc/51/28/62/351512862.db2.gz BPFPPLHFZZVJAX-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN c1cc(CNC2CCSCC2)n[nH]1 41015022 351513039 /nfs/dbraw/zinc/51/30/39/351513039.db2.gz NHAQJNFWXXKKIO-UHFFFAOYSA-N 0 3 197.307 1.395 20 0 ADADHN CC[C@@H](C)n1cc(CNC)cn1 40932663 351513148 /nfs/dbraw/zinc/51/31/48/351513148.db2.gz VIUHZEQQLJSNKQ-MRVPVSSYSA-N 0 3 167.256 1.574 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(C(=O)C(C)(C)N)C1 40920262 351513221 /nfs/dbraw/zinc/51/32/21/351513221.db2.gz AWPKJBXSYKRLAH-RKDXNWHRSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)(N)C(=O)Nc1ccc(O)cc1 40922246 351513326 /nfs/dbraw/zinc/51/33/26/351513326.db2.gz BQVBGDQJBNECKY-UHFFFAOYSA-N 0 3 194.234 1.068 20 0 ADADHN CC[C@@H](C)NCc1cc(C)no1 41042233 351514575 /nfs/dbraw/zinc/51/45/75/351514575.db2.gz MDQRNIQKMBCOSF-SSDOTTSWSA-N 0 3 168.240 1.871 20 0 ADADHN C[C@@H]1CCC[C@@H](NC(=O)C(C)(C)N)C1 41043536 351514753 /nfs/dbraw/zinc/51/47/53/351514753.db2.gz OXRTVVUXQICEQW-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN c1coc(CNCCn2ccnc2)c1 41041862 351514902 /nfs/dbraw/zinc/51/49/02/351514902.db2.gz HSHNTQPATXPSDK-UHFFFAOYSA-N 0 3 191.234 1.266 20 0 ADADHN C[C@@H]1CCC[C@H](NC(=O)C(C)(C)N)C1 41043534 351514934 /nfs/dbraw/zinc/51/49/34/351514934.db2.gz OXRTVVUXQICEQW-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(CC(=O)N(C)C)C1 41363040 351518329 /nfs/dbraw/zinc/51/83/29/351518329.db2.gz QIZRSQYZJHDRKQ-NXEZZACHSA-N 0 3 198.310 1.053 20 0 ADADHN CC[C@@H](C)NC(=O)CN(CC)CC 41392081 351518664 /nfs/dbraw/zinc/51/86/64/351518664.db2.gz FLSUMTRSHGSHRH-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H](C)N)C1 42476981 351522570 /nfs/dbraw/zinc/52/25/70/351522570.db2.gz HBRQIKFFDGRZQI-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)CCn1cc(CN)cn1 42439555 351522584 /nfs/dbraw/zinc/52/25/84/351522584.db2.gz ZAMYTGHNINYEHO-UHFFFAOYSA-N 0 3 167.256 1.388 20 0 ADADHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H](C)N)C1 42476985 351523108 /nfs/dbraw/zinc/52/31/08/351523108.db2.gz HBRQIKFFDGRZQI-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@@H]1c2ccsc2CCN1CCO 42778355 351525201 /nfs/dbraw/zinc/52/52/01/351525201.db2.gz PDELOJYEWUIISH-MRVPVSSYSA-N 0 3 197.303 1.660 20 0 ADADHN c1cc([C@H]2CCN2)co1 44257313 351537339 /nfs/dbraw/zinc/53/73/39/351537339.db2.gz LDRKUVUBGXHHTB-SSDOTTSWSA-N 0 3 123.155 1.314 20 0 ADADHN c1cnc2[n-]c([C@H]3CCC[NH2+]3)nc2c1 44264203 351537680 /nfs/dbraw/zinc/53/76/80/351537680.db2.gz HLQVCOMZIBWLOZ-SSDOTTSWSA-N 0 3 188.234 1.382 20 0 ADADHN c1cnc2[n-]c([C@@H]3CCC[NH2+]3)nc2c1 44264199 351537704 /nfs/dbraw/zinc/53/77/04/351537704.db2.gz HLQVCOMZIBWLOZ-ZETCQYMHSA-N 0 3 188.234 1.382 20 0 ADADHN c1cc([C@@H]2CCN2)co1 44257307 351537811 /nfs/dbraw/zinc/53/78/11/351537811.db2.gz LDRKUVUBGXHHTB-ZETCQYMHSA-N 0 3 123.155 1.314 20 0 ADADHN c1ccc(CNC2CCC2)nc1 44480132 351538763 /nfs/dbraw/zinc/53/87/63/351538763.db2.gz YPODSGQTJHKIEN-UHFFFAOYSA-N 0 3 162.236 1.724 20 0 ADADHN c1cc(CNC2CCC2)n[nH]1 44481907 351538918 /nfs/dbraw/zinc/53/89/18/351538918.db2.gz KVDDUYXQFYAXTO-UHFFFAOYSA-N 0 3 151.213 1.052 20 0 ADADHN CC(C)(N)C(=O)NC[C@@H]1CC=CCC1 45647256 351543123 /nfs/dbraw/zinc/54/31/23/351543123.db2.gz AICJRAPDIDPOEE-SECBINFHSA-N 0 3 196.294 1.196 20 0 ADADHN O[C@H]1CCCN(C[C@@H]2CCCCO2)C1 47915884 351545584 /nfs/dbraw/zinc/54/55/84/351545584.db2.gz AGAVMRPLCSBUDA-QWRGUYRKSA-N 0 3 199.294 1.012 20 0 ADADHN CCC[C@H](C)NCc1ncc[nH]1 49714476 351548215 /nfs/dbraw/zinc/54/82/15/351548215.db2.gz TYLFPBXIFIEQSU-QMMMGPOBSA-N 0 3 167.256 1.688 20 0 ADADHN O[C@H]1CCCN(C[C@H]2CCCCO2)C1 47915887 351546322 /nfs/dbraw/zinc/54/63/22/351546322.db2.gz AGAVMRPLCSBUDA-WDEREUQCSA-N 0 3 199.294 1.012 20 0 ADADHN CC(C)CN1CCC(=O)[C@@H](C)C1 49693579 351548394 /nfs/dbraw/zinc/54/83/94/351548394.db2.gz JLKNRXRZJBKPMK-VIFPVBQESA-N 0 3 169.268 1.553 20 0 ADADHN C[C@@H]1CN(CC2CCC2)CCC1=O 49693704 351548528 /nfs/dbraw/zinc/54/85/28/351548528.db2.gz LVXSUBDHVVPPAN-SECBINFHSA-N 0 3 181.279 1.697 20 0 ADADHN CC(C)CN1CCC(=O)[C@H](C)C1 49693578 351548678 /nfs/dbraw/zinc/54/86/78/351548678.db2.gz JLKNRXRZJBKPMK-SECBINFHSA-N 0 3 169.268 1.553 20 0 ADADHN CC(C)=CCN1CCC[C@@H](O)C1 49773536 351549821 /nfs/dbraw/zinc/54/98/21/351549821.db2.gz UWLKXIODPRKJOF-SNVBAGLBSA-N 0 3 169.268 1.409 20 0 ADADHN CC(C)=CCN1CCC[C@H](O)C1 49773534 351549885 /nfs/dbraw/zinc/54/98/85/351549885.db2.gz UWLKXIODPRKJOF-JTQLQIEISA-N 0 3 169.268 1.409 20 0 ADADHN CC(C)CCCNCc1ncc[nH]1 49715628 351550068 /nfs/dbraw/zinc/55/00/68/351550068.db2.gz BFDUUWLVIGCTKQ-UHFFFAOYSA-N 0 3 181.283 1.936 20 0 ADADHN CC(C)OCCCNCc1ncc[nH]1 49714765 351550196 /nfs/dbraw/zinc/55/01/96/351550196.db2.gz WKKBMKMEIALJPB-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN C[C@H](NCc1ncc[nH]1)C1CC1 49714846 351550436 /nfs/dbraw/zinc/55/04/36/351550436.db2.gz HYFSHVSUIOPYJM-ZETCQYMHSA-N 0 3 165.240 1.298 20 0 ADADHN CC[C@@H](C)[C@@H](C)NCc1ncc[nH]1 49715690 351550930 /nfs/dbraw/zinc/55/09/30/351550930.db2.gz GBFWTBQUDTUHCE-RKDXNWHRSA-N 0 3 181.283 1.934 20 0 ADADHN OC[C@@H]1CCCN1C/C=C/Cl 50113528 351552149 /nfs/dbraw/zinc/55/21/49/351552149.db2.gz QRTQEYLEKVUCOT-KHVHVRLGSA-N 0 3 175.659 1.196 20 0 ADADHN CC[C@@H](C)CN1CCC[C@@H]1C(=O)OC 50428205 351554026 /nfs/dbraw/zinc/55/40/26/351554026.db2.gz XBWGJDWLWFCZBK-NXEZZACHSA-N 0 3 199.294 1.670 20 0 ADADHN C[C@@H]1CCN(Cc2ccc(N)nc2)C1 50814635 351555710 /nfs/dbraw/zinc/55/57/10/351555710.db2.gz JVIAHWQPQKZMSJ-SECBINFHSA-N 0 3 191.278 1.506 20 0 ADADHN C[C@@H]1CCCN1Cc1ccc(N)nc1 50791642 351555727 /nfs/dbraw/zinc/55/57/27/351555727.db2.gz XMIUFFAFYRVURT-SECBINFHSA-N 0 3 191.278 1.648 20 0 ADADHN c1ccc2c(CNC3CC3)n[nH]c2c1 51666665 351558433 /nfs/dbraw/zinc/55/84/33/351558433.db2.gz GYJPKUMDCAOBEU-UHFFFAOYSA-N 0 3 187.246 1.815 20 0 ADADHN c1ccc2c(CNC3CC3)[nH]nc2c1 51666665 351558437 /nfs/dbraw/zinc/55/84/37/351558437.db2.gz GYJPKUMDCAOBEU-UHFFFAOYSA-N 0 3 187.246 1.815 20 0 ADADHN C[C@@H]1CCN(C(=O)C(C)(C)N)[C@H](C)C1 51733212 351558840 /nfs/dbraw/zinc/55/88/40/351558840.db2.gz BMRZVSYLCXIQFT-RKDXNWHRSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)=CCN(C)C[C@@H](C)O 51837848 351560469 /nfs/dbraw/zinc/56/04/69/351560469.db2.gz PWNIBSLYCAODAU-SECBINFHSA-N 0 3 157.257 1.265 20 0 ADADHN CC(C)=CCN(C)C[C@H](C)O 51837846 351560616 /nfs/dbraw/zinc/56/06/16/351560616.db2.gz PWNIBSLYCAODAU-VIFPVBQESA-N 0 3 157.257 1.265 20 0 ADADHN C[C@@H]1CCCN1Cc1cccnc1N 52709412 351567507 /nfs/dbraw/zinc/56/75/07/351567507.db2.gz PPYHDANSBMSILX-SECBINFHSA-N 0 3 191.278 1.648 20 0 ADADHN C[C@@H]1CCN(Cc2ccnc(N)c2)C1 52723149 351567941 /nfs/dbraw/zinc/56/79/41/351567941.db2.gz BPWGXYFAABTLBX-SECBINFHSA-N 0 3 191.278 1.506 20 0 ADADHN C[C@@H]1CCCN1Cc1ccnc(N)c1 52709421 351568126 /nfs/dbraw/zinc/56/81/26/351568126.db2.gz BAVUEYSCTUFBFK-SECBINFHSA-N 0 3 191.278 1.648 20 0 ADADHN C[C@@H]1CCN(Cc2cccnc2N)C1 52723119 351568147 /nfs/dbraw/zinc/56/81/47/351568147.db2.gz XDGYIIRPPARJHE-SECBINFHSA-N 0 3 191.278 1.506 20 0 ADADHN c1ncc(CNC2CCC2)s1 54788466 351574770 /nfs/dbraw/zinc/57/47/70/351574770.db2.gz XNRFBWWYVPHFKX-UHFFFAOYSA-N 0 3 168.265 1.785 20 0 ADADHN OCCN[C@H]1CCCc2sccc21 61325564 351582159 /nfs/dbraw/zinc/58/21/59/351582159.db2.gz URCDEBFWOXDFSK-VIFPVBQESA-N 0 3 197.303 1.707 20 0 ADADHN OCCN[C@@H]1CCCc2sccc21 61325562 351582413 /nfs/dbraw/zinc/58/24/13/351582413.db2.gz URCDEBFWOXDFSK-SECBINFHSA-N 0 3 197.303 1.707 20 0 ADADHN O[C@H]1CCN(Cc2ccsc2)C1 61708284 351583878 /nfs/dbraw/zinc/58/38/78/351583878.db2.gz BHMHVXFXSKDSGO-VIFPVBQESA-N 0 3 183.276 1.315 20 0 ADADHN O[C@@H]1CCN(Cc2ccsc2)C1 61708285 351584003 /nfs/dbraw/zinc/58/40/03/351584003.db2.gz BHMHVXFXSKDSGO-SECBINFHSA-N 0 3 183.276 1.315 20 0 ADADHN CC(C)COc1ccnc(C(=N)N)c1 61814514 351584752 /nfs/dbraw/zinc/58/47/52/351584752.db2.gz MZEVDHQGLGHAPU-UHFFFAOYSA-N 0 3 193.250 1.400 20 0 ADADHN CC(C)CC(=O)N1C[C@@H](C)NC[C@H]1C 62568097 351588697 /nfs/dbraw/zinc/58/86/97/351588697.db2.gz YRJGPXBLXXFCIC-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CC(=O)N1C[C@H](C)NC[C@H]1C 62568100 351588586 /nfs/dbraw/zinc/58/85/86/351588586.db2.gz YRJGPXBLXXFCIC-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)C(=O)N1CCN[C@@H](C(C)C)C1 62568150 351588776 /nfs/dbraw/zinc/58/87/76/351588776.db2.gz ORLVSBKDQFRDTP-SNVBAGLBSA-N 0 3 198.310 1.099 20 0 ADADHN C[C@@H]1Oc2c(ccc(F)c2F)[C@@H]1N 62611502 351588821 /nfs/dbraw/zinc/58/88/21/351588821.db2.gz BKBLOLZHKWEOLE-RNHFCUEFSA-N 0 3 185.173 1.746 20 0 ADADHN CC(C)CC(=O)N1C[C@@H](C)NC[C@@H]1C 62568099 351588828 /nfs/dbraw/zinc/58/88/28/351588828.db2.gz YRJGPXBLXXFCIC-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)C(=O)N1CCN[C@H](C(C)C)C1 62568148 351588860 /nfs/dbraw/zinc/58/88/60/351588860.db2.gz ORLVSBKDQFRDTP-JTQLQIEISA-N 0 3 198.310 1.099 20 0 ADADHN C[C@@H]1Oc2c(ccc(F)c2F)[C@H]1N 62611498 351588961 /nfs/dbraw/zinc/58/89/61/351588961.db2.gz BKBLOLZHKWEOLE-NVNXEXLPSA-N 0 3 185.173 1.746 20 0 ADADHN CC(C)CC(=O)N1C[C@H](C)NC[C@@H]1C 62568101 351589069 /nfs/dbraw/zinc/58/90/69/351589069.db2.gz YRJGPXBLXXFCIC-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN c1ncc([C@@H]2CCCCN2)cn1 62772344 351589601 /nfs/dbraw/zinc/58/96/01/351589601.db2.gz VEDOGBLDKCMJKM-VIFPVBQESA-N 0 3 163.224 1.291 20 0 ADADHN c1ncc([C@H]2CCCCN2)cn1 62772345 351589995 /nfs/dbraw/zinc/58/99/95/351589995.db2.gz VEDOGBLDKCMJKM-SECBINFHSA-N 0 3 163.224 1.291 20 0 ADADHN OC[C@H](NC1CCC1)c1ccccc1 63000817 351590826 /nfs/dbraw/zinc/59/08/26/351590826.db2.gz WWHANCXCPCPVLC-LBPRGKRZSA-N 0 3 191.274 1.862 20 0 ADADHN OC[C@@H](NC1CCC1)c1ccccc1 63000816 351590832 /nfs/dbraw/zinc/59/08/32/351590832.db2.gz WWHANCXCPCPVLC-GFCCVEGCSA-N 0 3 191.274 1.862 20 0 ADADHN CN(C)C(=O)CN(C)C1CCCCC1 66216006 351592655 /nfs/dbraw/zinc/59/26/55/351592655.db2.gz WEFAQFCMWCORFQ-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)NCc1cncc(F)c1 69049571 351597733 /nfs/dbraw/zinc/59/77/33/351597733.db2.gz MUVUMSQUHXEISL-UHFFFAOYSA-N 0 3 168.215 1.719 20 0 ADADHN CC(C)[C@@H](C)C(=O)N1CCCNCC1 69684390 351598725 /nfs/dbraw/zinc/59/87/25/351598725.db2.gz CHMHHMOYAVVXSX-SNVBAGLBSA-N 0 3 198.310 1.100 20 0 ADADHN CC(C)[C@H](C)C(=O)N1CCCNCC1 69684391 351598885 /nfs/dbraw/zinc/59/88/85/351598885.db2.gz CHMHHMOYAVVXSX-JTQLQIEISA-N 0 3 198.310 1.100 20 0 ADADHN C[C@@H]1C[C@@H](NCc2cc[nH]n2)CCO1 69889906 351600585 /nfs/dbraw/zinc/60/05/85/351600585.db2.gz RLLQHKHRVHHWEC-BDAKNGLRSA-N 0 3 195.266 1.067 20 0 ADADHN C[C@@H]1C[C@H](NCc2ccco2)CCO1 69855698 351600622 /nfs/dbraw/zinc/60/06/22/351600622.db2.gz FCASVQVIUGOSIV-NXEZZACHSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@@H]1C[C@H](NCc2cc[nH]n2)CCO1 69889903 351600932 /nfs/dbraw/zinc/60/09/32/351600932.db2.gz RLLQHKHRVHHWEC-RKDXNWHRSA-N 0 3 195.266 1.067 20 0 ADADHN CC(C)C(=O)Nc1ccccc1CN 70162450 351601796 /nfs/dbraw/zinc/60/17/96/351601796.db2.gz HXNSELMRJNDYMC-UHFFFAOYSA-N 0 3 192.262 1.740 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2ncc[nH]2)C1 70646374 351604751 /nfs/dbraw/zinc/60/47/51/351604751.db2.gz IKOFJGKISDMENZ-RKDXNWHRSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CC[C@H](NCc2ncc[nH]2)C1 70646372 351604814 /nfs/dbraw/zinc/60/48/14/351604814.db2.gz IKOFJGKISDMENZ-BDAKNGLRSA-N 0 3 179.267 1.688 20 0 ADADHN Cc1ccccc1CN[C@H]1CCOC1 70967517 351607677 /nfs/dbraw/zinc/60/76/77/351607677.db2.gz KMUBEWDXYPIAKK-LBPRGKRZSA-N 0 3 191.274 1.874 20 0 ADADHN O[C@@H]1CCN(CCC(F)(F)F)C1 70916157 351607959 /nfs/dbraw/zinc/60/79/59/351607959.db2.gz NJHWHGGPGCPQGI-ZCFIWIBFSA-N 0 3 183.173 1.005 20 0 ADADHN c1cc(CN[C@H]2CCOC2)cs1 70969654 351608021 /nfs/dbraw/zinc/60/80/21/351608021.db2.gz JMGVEAGEWFMTCF-VIFPVBQESA-N 0 3 183.276 1.627 20 0 ADADHN c1cc(CN[C@@H]2CCOC2)cs1 70969650 351608033 /nfs/dbraw/zinc/60/80/33/351608033.db2.gz JMGVEAGEWFMTCF-SECBINFHSA-N 0 3 183.276 1.627 20 0 ADADHN O[C@H]1CCN(CCC(F)(F)F)C1 70916161 351608240 /nfs/dbraw/zinc/60/82/40/351608240.db2.gz NJHWHGGPGCPQGI-LURJTMIESA-N 0 3 183.173 1.005 20 0 ADADHN c1csc(CN[C@H]2CCOC2)c1 70964752 351608417 /nfs/dbraw/zinc/60/84/17/351608417.db2.gz QYHGWJPELCAHLB-QMMMGPOBSA-N 0 3 183.276 1.627 20 0 ADADHN c1csc(CN[C@@H]2CCOC2)c1 70964748 351608479 /nfs/dbraw/zinc/60/84/79/351608479.db2.gz QYHGWJPELCAHLB-MRVPVSSYSA-N 0 3 183.276 1.627 20 0 ADADHN c1coc(CN[C@@H]2CCCOC2)c1 71011087 351609604 /nfs/dbraw/zinc/60/96/04/351609604.db2.gz PPKICJNTRMPHNE-SECBINFHSA-N 0 3 181.235 1.548 20 0 ADADHN CCOc1ccc(C(=N)N)nc1Cl 71186708 351610005 /nfs/dbraw/zinc/61/00/05/351610005.db2.gz UOLNHNCMKPTWRI-UHFFFAOYSA-N 0 3 199.641 1.418 20 0 ADADHN c1nc([C@H]2CCCN2)cs1 71484796 351610993 /nfs/dbraw/zinc/61/09/93/351610993.db2.gz FCGXVNAOFWTJEW-ZCFIWIBFSA-N 0 3 154.238 1.568 20 0 ADADHN CC(C)CC(=O)N1CCN[C@@H](C)[C@H]1C 71507745 351612544 /nfs/dbraw/zinc/61/25/44/351612544.db2.gz SUYWHCWXGBSWGC-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CC(=O)N1CCN[C@H](C)[C@@H]1C 71507742 351612670 /nfs/dbraw/zinc/61/26/70/351612670.db2.gz SUYWHCWXGBSWGC-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CC(=O)N1CCN[C@@H](C)[C@@H]1C 71507743 351612887 /nfs/dbraw/zinc/61/28/87/351612887.db2.gz SUYWHCWXGBSWGC-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)CC(=O)N1CCN[C@H](C)[C@H]1C 71507744 351613145 /nfs/dbraw/zinc/61/31/45/351613145.db2.gz SUYWHCWXGBSWGC-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN C[C@@H]1Cc2ccccc2CN1CCO 74450440 351620307 /nfs/dbraw/zinc/62/03/07/351620307.db2.gz UYUKUVJJGCDYRR-SNVBAGLBSA-N 0 3 191.274 1.426 20 0 ADADHN Cc1ccc(CN2CC[C@@H](O)C2)s1 74239008 351620573 /nfs/dbraw/zinc/62/05/73/351620573.db2.gz PVCPPNOLWHFSPP-SECBINFHSA-N 0 3 197.303 1.623 20 0 ADADHN Cc1ccsc1CN1CC[C@@H](O)C1 74239014 351620642 /nfs/dbraw/zinc/62/06/42/351620642.db2.gz JSEBKFSXSIQUFP-SECBINFHSA-N 0 3 197.303 1.623 20 0 ADADHN Cc1ccc2c(c1)CCN(CCO)C2 74448013 351620954 /nfs/dbraw/zinc/62/09/54/351620954.db2.gz YLAXLRGCQIZWBZ-UHFFFAOYSA-N 0 3 191.274 1.345 20 0 ADADHN Cc1ccc(CNC(C)C)nc1 74340006 351621026 /nfs/dbraw/zinc/62/10/26/351621026.db2.gz GLBCIRGBFJNJDD-UHFFFAOYSA-N 0 3 164.252 1.888 20 0 ADADHN Cc1ccsc1CN1CC[C@H](O)C1 74239012 351621074 /nfs/dbraw/zinc/62/10/74/351621074.db2.gz JSEBKFSXSIQUFP-VIFPVBQESA-N 0 3 197.303 1.623 20 0 ADADHN Cc1cccc2c1CN(CCO)CC2 74449844 351621113 /nfs/dbraw/zinc/62/11/13/351621113.db2.gz PMSNRSJNMHCTRO-UHFFFAOYSA-N 0 3 191.274 1.345 20 0 ADADHN c1ccc(-c2n[nH]c3c2CCNC3)cc1 74214959 351621352 /nfs/dbraw/zinc/62/13/52/351621352.db2.gz NDFRYOUKVFHOTN-UHFFFAOYSA-N 0 3 199.257 1.722 20 0 ADADHN C[C@H]1Cc2ccccc2CN1CCO 74450443 351621888 /nfs/dbraw/zinc/62/18/88/351621888.db2.gz UYUKUVJJGCDYRR-JTQLQIEISA-N 0 3 191.274 1.426 20 0 ADADHN c1cnn([C@@H]2CCCCN2)c1 75914037 351624931 /nfs/dbraw/zinc/62/49/31/351624931.db2.gz CXHGNQHRGFEZKH-MRVPVSSYSA-N 0 3 151.213 1.155 20 0 ADADHN c1cnn([C@H]2CCCCN2)c1 75914038 351625339 /nfs/dbraw/zinc/62/53/39/351625339.db2.gz CXHGNQHRGFEZKH-QMMMGPOBSA-N 0 3 151.213 1.155 20 0 ADADHN c1ccn2c(CNC3CC3)cnc2c1 76632459 351625476 /nfs/dbraw/zinc/62/54/76/351625476.db2.gz XZGKYNDKMVLRRJ-UHFFFAOYSA-N 0 3 187.246 1.586 20 0 ADADHN O[C@@H]1CCN[C@H]1c1ccccc1Cl 82384717 351635664 /nfs/dbraw/zinc/63/56/64/351635664.db2.gz PXRWXLZGSNYAHI-ZJUUUORDSA-N 0 3 197.665 1.735 20 0 ADADHN C1=CC[C@H](NCc2cc[nH]n2)CC1 80122770 351631309 /nfs/dbraw/zinc/63/13/09/351631309.db2.gz ZLCQZAKHSCWEGN-VIFPVBQESA-N 0 3 177.251 1.608 20 0 ADADHN C1=CC[C@@H](NCc2cc[nH]n2)CC1 80122775 351631448 /nfs/dbraw/zinc/63/14/48/351631448.db2.gz ZLCQZAKHSCWEGN-SECBINFHSA-N 0 3 177.251 1.608 20 0 ADADHN CC(C)CCNCc1ccc(CO)o1 81546821 351632114 /nfs/dbraw/zinc/63/21/14/351632114.db2.gz AGMAAOQXQWXLCV-UHFFFAOYSA-N 0 3 197.278 1.908 20 0 ADADHN OCc1ccc(CNCC2CC2)o1 81546733 351632299 /nfs/dbraw/zinc/63/22/99/351632299.db2.gz DGEMJIKHBOHWGR-UHFFFAOYSA-N 0 3 181.235 1.272 20 0 ADADHN CC[C@@H](C)NCc1ccc(CO)o1 81546723 351632454 /nfs/dbraw/zinc/63/24/54/351632454.db2.gz LTLUYIYXKVCCQX-MRVPVSSYSA-N 0 3 183.251 1.660 20 0 ADADHN OCc1ccc(CNC2CC2)o1 81546705 351632465 /nfs/dbraw/zinc/63/24/65/351632465.db2.gz NPCXDLUUXLDBCT-UHFFFAOYSA-N 0 3 167.208 1.024 20 0 ADADHN CC(C)CNCc1ccc(CO)o1 81546725 351632509 /nfs/dbraw/zinc/63/25/09/351632509.db2.gz KJHIKLPGFGFWNK-UHFFFAOYSA-N 0 3 183.251 1.518 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccnc(C)c1 82247656 351634958 /nfs/dbraw/zinc/63/49/58/351634958.db2.gz WHAZFNNRDATZKK-VIFPVBQESA-N 0 3 193.250 1.066 20 0 ADADHN Cc1cnccc1NC(=O)C(C)(C)N 82247549 351634986 /nfs/dbraw/zinc/63/49/86/351634986.db2.gz QNEWWIBOUODAFE-UHFFFAOYSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccncc1C 82247658 351635043 /nfs/dbraw/zinc/63/50/43/351635043.db2.gz VYDJZRKSKDLCTP-QMMMGPOBSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@H](N)C(=O)Nc1cccc(C)n1 82247662 351635101 /nfs/dbraw/zinc/63/51/01/351635101.db2.gz AMELTNNWJNDMHU-QMMMGPOBSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccc(C)nc1 82247654 351635173 /nfs/dbraw/zinc/63/51/73/351635173.db2.gz WFXAHCMXHIOECW-VIFPVBQESA-N 0 3 193.250 1.066 20 0 ADADHN Cc1cc(NC(=O)C(C)(C)N)ccn1 82247548 351635198 /nfs/dbraw/zinc/63/51/98/351635198.db2.gz NVBOIIKDRSWNDM-UHFFFAOYSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccc(C)cn1 82247660 351635243 /nfs/dbraw/zinc/63/52/43/351635243.db2.gz XQPYSIIYDJBILA-QMMMGPOBSA-N 0 3 193.250 1.066 20 0 ADADHN Cc1ccc(NC(=O)C(C)(C)N)cn1 82247547 351635259 /nfs/dbraw/zinc/63/52/59/351635259.db2.gz LWZXXBKSLGQIHM-UHFFFAOYSA-N 0 3 193.250 1.066 20 0 ADADHN O[C@H]1CCN[C@H]1c1ccccc1Cl 82384719 351635647 /nfs/dbraw/zinc/63/56/47/351635647.db2.gz PXRWXLZGSNYAHI-UWVGGRQHSA-N 0 3 197.665 1.735 20 0 ADADHN O[C@H]1CCN[C@@H]1c1ccccc1F 82395980 351635797 /nfs/dbraw/zinc/63/57/97/351635797.db2.gz NVBXLWRQCFZTLB-VHSXEESVSA-N 0 3 181.210 1.221 20 0 ADADHN O[C@@H]1CCN[C@@H]1c1ccccc1F 82395978 351635834 /nfs/dbraw/zinc/63/58/34/351635834.db2.gz NVBXLWRQCFZTLB-NXEZZACHSA-N 0 3 181.210 1.221 20 0 ADADHN O[C@@H]1CCN[C@H]1c1ccccc1F 82395979 351635939 /nfs/dbraw/zinc/63/59/39/351635939.db2.gz NVBXLWRQCFZTLB-ZJUUUORDSA-N 0 3 181.210 1.221 20 0 ADADHN O[C@@H]1CCN[C@@H]1c1ccccc1Cl 82384716 351635984 /nfs/dbraw/zinc/63/59/84/351635984.db2.gz PXRWXLZGSNYAHI-NXEZZACHSA-N 0 3 197.665 1.735 20 0 ADADHN O[C@H]1CCN[C@@H]1c1ccccc1Cl 82384718 351636145 /nfs/dbraw/zinc/63/61/45/351636145.db2.gz PXRWXLZGSNYAHI-VHSXEESVSA-N 0 3 197.665 1.735 20 0 ADADHN C[C@@H]1N[C@H](C)Cc2nc[nH]c21 82407944 351636862 /nfs/dbraw/zinc/63/68/62/351636862.db2.gz IILAXZULSWKXQZ-RITPCOANSA-N 0 3 151.213 1.005 20 0 ADADHN O[C@H]1CCN[C@H]1c1ccccc1F 82395981 351637223 /nfs/dbraw/zinc/63/72/23/351637223.db2.gz NVBXLWRQCFZTLB-UWVGGRQHSA-N 0 3 181.210 1.221 20 0 ADADHN c1ccc2c3c([nH]c2c1)CNC3 82405667 351637257 /nfs/dbraw/zinc/63/72/57/351637257.db2.gz MICHWNKGSYKDCM-UHFFFAOYSA-N 0 3 158.204 1.771 20 0 ADADHN C[C@@H]1Cc2nc[nH]c2[C@@H](C)N1 82407946 351637283 /nfs/dbraw/zinc/63/72/83/351637283.db2.gz IILAXZULSWKXQZ-PHDIDXHHSA-N 0 3 151.213 1.005 20 0 ADADHN c1noc2c1[C@H]1CC[C@@H](C2)N1 82408451 351637663 /nfs/dbraw/zinc/63/76/63/351637663.db2.gz GVEVZOCENZMSNV-CAHLUQPWSA-N 0 3 150.181 1.024 20 0 ADADHN CC(C)=CCn1cc(CN)cn1 82632797 351640405 /nfs/dbraw/zinc/64/04/05/351640405.db2.gz RNGALHVKLOEMTB-UHFFFAOYSA-N 0 3 165.240 1.308 20 0 ADADHN CC(C)(O)CNCc1cccc(O)c1 82687422 351641366 /nfs/dbraw/zinc/64/13/66/351641366.db2.gz UAQWQJVDOYMZIT-UHFFFAOYSA-N 0 3 195.262 1.253 20 0 ADADHN c1ccc([C@H]2CCOCCN2)cc1 82869744 351642204 /nfs/dbraw/zinc/64/22/04/351642204.db2.gz KNDDKASDDMIEGY-LLVKDONJSA-N 0 3 177.247 1.738 20 0 ADADHN CSc1nccc(C2(N)CC2)n1 82874374 351642570 /nfs/dbraw/zinc/64/25/70/351642570.db2.gz HXOMKSWQFRSJDZ-UHFFFAOYSA-N 0 3 181.264 1.146 20 0 ADADHN O[C@@H]1CCNCc2ccccc21 83269575 351644405 /nfs/dbraw/zinc/64/44/05/351644405.db2.gz FDTCSQHVULAFEA-SNVBAGLBSA-N 0 3 163.220 1.213 20 0 in-vitro ADADHN OC[C@@H]1NCCc2cc(Cl)ccc21 83300796 351644513 /nfs/dbraw/zinc/64/45/13/351644513.db2.gz LGGVOQIFMZMCFS-JTQLQIEISA-N 0 3 197.665 1.519 20 0 ADADHN OC[C@H]1NCCc2cc(Cl)ccc21 83300793 351644736 /nfs/dbraw/zinc/64/47/36/351644736.db2.gz LGGVOQIFMZMCFS-SNVBAGLBSA-N 0 3 197.665 1.519 20 0 ADADHN O[C@H]1CCNCc2ccccc21 83269574 351644801 /nfs/dbraw/zinc/64/48/01/351644801.db2.gz FDTCSQHVULAFEA-JTQLQIEISA-N 0 3 163.220 1.213 20 0 in-vitro ADADHN CC(C)(O)CNCc1cncs1 83461661 351645364 /nfs/dbraw/zinc/64/53/64/351645364.db2.gz WTDJPIVGIJXFTF-UHFFFAOYSA-N 0 3 186.280 1.004 20 0 ADADHN OCCNCc1ccc2cc[nH]c2c1 83341573 351645499 /nfs/dbraw/zinc/64/54/99/351645499.db2.gz TZDUMVSPMSCFMW-UHFFFAOYSA-N 0 3 190.246 1.250 20 0 ADADHN c1cc2c(o1)CCCNC2 84234118 351648570 /nfs/dbraw/zinc/64/85/70/351648570.db2.gz INHBEZLAWKRIEI-UHFFFAOYSA-N 0 3 137.182 1.315 20 0 in-vitro ADADHN c1nc(C2CCC2)nc2c1CNCC2 84249231 351649899 /nfs/dbraw/zinc/64/98/99/351649899.db2.gz SXDZHXOKBVCUHI-UHFFFAOYSA-N 0 3 189.262 1.390 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCCCC1(C)C 86877618 351656558 /nfs/dbraw/zinc/65/65/58/351656558.db2.gz IMNHPKCKUMSLNR-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN CNCC(=O)N[C@@H]1CCCCC1(C)C 86877599 351656649 /nfs/dbraw/zinc/65/66/49/351656649.db2.gz FDUKHZCYSBLOCN-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCCCC1(C)C 86877612 351656657 /nfs/dbraw/zinc/65/66/57/351656657.db2.gz IMNHPKCKUMSLNR-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](N)C(=O)N[C@H]1CCCC1(C)C 86877154 351656794 /nfs/dbraw/zinc/65/67/94/351656794.db2.gz RZFZJIWDGXSNAC-SFYZADRCSA-N 0 3 184.283 1.029 20 0 ADADHN CC1(C)CCCC[C@H]1NC(=O)CN 86877646 351656808 /nfs/dbraw/zinc/65/68/08/351656808.db2.gz YFGCPNJJFSLVIX-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCCC1(C)C 86877207 351656867 /nfs/dbraw/zinc/65/68/67/351656867.db2.gz HSAFCOPDMBBVJT-IUCAKERBSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](N)C(=O)N[C@H]1CCCCC1(C)C 86877620 351656911 /nfs/dbraw/zinc/65/69/11/351656911.db2.gz IMNHPKCKUMSLNR-BDAKNGLRSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1CCCC1(C)C 86877149 351656961 /nfs/dbraw/zinc/65/69/61/351656961.db2.gz RZFZJIWDGXSNAC-HTQZYQBOSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCCC1(C)C 86877206 351656990 /nfs/dbraw/zinc/65/69/90/351656990.db2.gz HSAFCOPDMBBVJT-DTWKUNHWSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCCC1(C)C 86877146 351657004 /nfs/dbraw/zinc/65/70/04/351657004.db2.gz RZFZJIWDGXSNAC-JGVFFNPUSA-N 0 3 184.283 1.029 20 0 ADADHN CNCC(=O)N[C@H]1CCCCC1(C)C 86877596 351657014 /nfs/dbraw/zinc/65/70/14/351657014.db2.gz FDUKHZCYSBLOCN-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CC1(C)CCCC[C@@H]1NC(=O)CN 86877643 351657027 /nfs/dbraw/zinc/65/70/27/351657027.db2.gz YFGCPNJJFSLVIX-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCCC1(C)C 86877151 351657116 /nfs/dbraw/zinc/65/71/16/351657116.db2.gz RZFZJIWDGXSNAC-YUMQZZPRSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1CCCCC1(C)C 86877615 351657140 /nfs/dbraw/zinc/65/71/40/351657140.db2.gz IMNHPKCKUMSLNR-RKDXNWHRSA-N 0 3 198.310 1.419 20 0 ADADHN C1CCN2CCN(CC3CC3)C[C@@H]2C1 86929269 351657527 /nfs/dbraw/zinc/65/75/27/351657527.db2.gz YVADMADTHLPXGP-LBPRGKRZSA-N 0 3 194.322 1.567 20 0 ADADHN CC[C@@H](C)N1CCN2CCCC[C@@H]2C1 86929279 351657581 /nfs/dbraw/zinc/65/75/81/351657581.db2.gz KIFCYUYVKHSBRP-VXGBXAGGSA-N 0 3 196.338 1.955 20 0 ADADHN CC[C@H](C)N1CCN2CCCC[C@@H]2C1 86929281 351657995 /nfs/dbraw/zinc/65/79/95/351657995.db2.gz KIFCYUYVKHSBRP-NWDGAFQWSA-N 0 3 196.338 1.955 20 0 ADADHN CCOc1cscc1CN 90394374 351664808 /nfs/dbraw/zinc/66/48/08/351664808.db2.gz KJYSNZOOPPZLKG-UHFFFAOYSA-N 0 3 157.238 1.606 20 0 ADADHN CCOc1ccsc1CN 90394360 351664851 /nfs/dbraw/zinc/66/48/51/351664851.db2.gz XPCJUTOFEMMHQW-UHFFFAOYSA-N 0 3 157.238 1.606 20 0 ADADHN c1cc2c(s1)CCN1CCNC[C@H]21 90394310 351665092 /nfs/dbraw/zinc/66/50/92/351665092.db2.gz NLRRDRKYIZDCSD-SECBINFHSA-N 0 3 194.303 1.251 20 0 ADADHN c1cc2c(s1)CCN1CCNC[C@@H]21 90394308 351665493 /nfs/dbraw/zinc/66/54/93/351665493.db2.gz NLRRDRKYIZDCSD-VIFPVBQESA-N 0 3 194.303 1.251 20 0 ADADHN CCOc1ccnc2c1CCC[C@@H]2N 95221068 351670030 /nfs/dbraw/zinc/67/00/30/351670030.db2.gz HXRVJXAEXROYCL-VIFPVBQESA-N 0 3 192.262 1.816 20 0 ADADHN CCOc1ccnc2c1CCC[C@H]2N 95221070 351670464 /nfs/dbraw/zinc/67/04/64/351670464.db2.gz HXRVJXAEXROYCL-SECBINFHSA-N 0 3 192.262 1.816 20 0 ADADHN N[C@H]1COc2cc(F)c(F)cc21 95636650 351671106 /nfs/dbraw/zinc/67/11/06/351671106.db2.gz NKOQNQIOPYUDTK-ZETCQYMHSA-N 0 3 171.146 1.357 20 0 ADADHN c1coc(CN2CCCC2)c1 95620542 351671143 /nfs/dbraw/zinc/67/11/43/351671143.db2.gz OTCUCAGXTNHLEI-UHFFFAOYSA-N 0 3 151.209 1.875 20 0 endogenous,in-man ADADHN c1ccc(-n2ncc3c2CNCC3)cc1 95705173 351672066 /nfs/dbraw/zinc/67/20/66/351672066.db2.gz CLJFBQFORGCVGB-UHFFFAOYSA-N 0 3 199.257 1.518 20 0 ADADHN C[C@@H]1OCC[C@@H]1NCc1cccnc1 96033438 351678330 /nfs/dbraw/zinc/67/83/30/351678330.db2.gz TWZITSICFTWZTA-ONGXEEELSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@H]1OCC[C@@H]1NCc1ccccc1 96033498 351678386 /nfs/dbraw/zinc/67/83/86/351678386.db2.gz WYYROTROHMUABP-JQWIXIFHSA-N 0 3 191.274 1.954 20 0 ADADHN CC(C)(C)CCN1CCOCC1 96329072 351680772 /nfs/dbraw/zinc/68/07/72/351680772.db2.gz PYOXIJHTSXVKMZ-UHFFFAOYSA-N 0 3 171.284 1.755 20 0 ADADHN c1ccc(CNC[C@@H]2COCO2)cc1 97944025 351683993 /nfs/dbraw/zinc/68/39/93/351683993.db2.gz VCOXMSSPLOOSBR-LLVKDONJSA-N 0 3 193.246 1.149 20 0 ADADHN c1cc([C@@H]2CCCCN2)cnn1 97758381 351684594 /nfs/dbraw/zinc/68/45/94/351684594.db2.gz QOYHCOFANYZPDN-VIFPVBQESA-N 0 3 163.224 1.291 20 0 ADADHN c1ccc(CNC[C@H]2COCO2)cc1 97944026 351684606 /nfs/dbraw/zinc/68/46/06/351684606.db2.gz VCOXMSSPLOOSBR-NSHDSACASA-N 0 3 193.246 1.149 20 0 ADADHN c1cc([C@H]2CCCCN2)cnn1 97758382 351684670 /nfs/dbraw/zinc/68/46/70/351684670.db2.gz QOYHCOFANYZPDN-SECBINFHSA-N 0 3 163.224 1.291 20 0 ADADHN Cc1ccc2c(c1)OCCNC2 107120230 351717314 /nfs/dbraw/zinc/71/73/14/351717314.db2.gz HOXFFAKNGHEJPI-UHFFFAOYSA-N 0 3 163.220 1.477 20 0 ADADHN N[C@H](CF)c1cccc(F)c1 107118478 351717395 /nfs/dbraw/zinc/71/73/95/351717395.db2.gz HMFRESVNQXINDY-MRVPVSSYSA-N 0 3 157.163 1.795 20 0 ADADHN N[C@@H](CF)c1cccc(F)c1 107118481 351717411 /nfs/dbraw/zinc/71/74/11/351717411.db2.gz HMFRESVNQXINDY-QMMMGPOBSA-N 0 3 157.163 1.795 20 0 ADADHN Cc1cccc([C@H](N)CF)c1 107117554 351717460 /nfs/dbraw/zinc/71/74/60/351717460.db2.gz MVGSBIVOCKBMHF-SECBINFHSA-N 0 3 153.200 1.964 20 0 ADADHN Cc1cccc([C@@H](N)CF)c1 107117556 351717480 /nfs/dbraw/zinc/71/74/80/351717480.db2.gz MVGSBIVOCKBMHF-VIFPVBQESA-N 0 3 153.200 1.964 20 0 ADADHN COc1ccc([C@@H](N)CF)cc1F 107132509 351718320 /nfs/dbraw/zinc/71/83/20/351718320.db2.gz XHCYEDLEHIOKSH-QMMMGPOBSA-N 0 3 187.189 1.804 20 0 ADADHN Cc1cccc([C@H](F)CN)c1 108282491 351720639 /nfs/dbraw/zinc/72/06/39/351720639.db2.gz UTLXPZAHMLHOSV-SECBINFHSA-N 0 3 153.200 1.964 20 0 ADADHN COc1ccc([C@@H](F)CN)cc1 108287910 351720726 /nfs/dbraw/zinc/72/07/26/351720726.db2.gz YRIMKXYUZLHHEW-VIFPVBQESA-N 0 3 169.199 1.665 20 0 ADADHN COc1ccc([C@H](F)CN)cc1 108287907 351721006 /nfs/dbraw/zinc/72/10/06/351721006.db2.gz YRIMKXYUZLHHEW-SECBINFHSA-N 0 3 169.199 1.665 20 0 ADADHN Cc1ccc([C@H](F)CN)cc1 108282505 351721255 /nfs/dbraw/zinc/72/12/55/351721255.db2.gz LWWNWFUGCJMPQN-SECBINFHSA-N 0 3 153.200 1.964 20 0 ADADHN C[C@@H]1CC[C@H](NCc2ccn(C)n2)C1 124699931 351729731 /nfs/dbraw/zinc/72/97/31/351729731.db2.gz COSMXKYYDRJOKT-ZJUUUORDSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2cnccn2)C1 128544459 351734390 /nfs/dbraw/zinc/73/43/90/351734390.db2.gz GKTLUIUILFXEBY-NXEZZACHSA-N 0 3 191.278 1.755 20 0 ADADHN CC[C@H](C)c1ncc2c(n1)CCNC2 132206103 351737006 /nfs/dbraw/zinc/73/70/06/351737006.db2.gz OPXANCOVWJICCT-QMMMGPOBSA-N 0 3 191.278 1.636 20 0 ADADHN CC[C@@H](C)c1ncc2c(n1)CCNC2 132205897 351737184 /nfs/dbraw/zinc/73/71/84/351737184.db2.gz OPXANCOVWJICCT-MRVPVSSYSA-N 0 3 191.278 1.636 20 0 ADADHN C[C@@H]1OCC[C@H]1NCc1ccco1 133941975 351737997 /nfs/dbraw/zinc/73/79/97/351737997.db2.gz STXOWZJHHPJARJ-WCBMZHEXSA-N 0 3 181.235 1.547 20 0 ADADHN Cc1ccc(CNCCCO)c(F)c1 163271015 351761960 /nfs/dbraw/zinc/76/19/60/351761960.db2.gz NHHGYYBTMWQFRJ-UHFFFAOYSA-N 0 3 197.253 1.606 20 0 ADADHN C[C@H]1CCN(Cc2cccnc2)C1 197044625 351777383 /nfs/dbraw/zinc/77/73/83/351777383.db2.gz PADBPOCKWPIIQZ-JTQLQIEISA-N 0 3 176.263 1.923 20 0 ADADHN C[C@H]1CCN([C@@H](C)c2cnccn2)C1 197044204 351777419 /nfs/dbraw/zinc/77/74/19/351777419.db2.gz OLQWGYXRIZENOF-UWVGGRQHSA-N 0 3 191.278 1.879 20 0 ADADHN C[C@@H]1CCN(Cc2cccnc2)C1 197044614 351777430 /nfs/dbraw/zinc/77/74/30/351777430.db2.gz PADBPOCKWPIIQZ-SNVBAGLBSA-N 0 3 176.263 1.923 20 0 ADADHN C[C@@H]1CCN(Cc2ccncc2)C1 197045076 351777540 /nfs/dbraw/zinc/77/75/40/351777540.db2.gz BMXWVEILDHSRIF-SNVBAGLBSA-N 0 3 176.263 1.923 20 0 ADADHN C[C@H]1CCN(Cc2ccncc2)C1 197045085 351777590 /nfs/dbraw/zinc/77/75/90/351777590.db2.gz BMXWVEILDHSRIF-JTQLQIEISA-N 0 3 176.263 1.923 20 0 ADADHN C[C@@H]1CCN(Cc2c[nH]cn2)C1 197045004 351777656 /nfs/dbraw/zinc/77/76/56/351777656.db2.gz GFFROSJKBBXLBT-MRVPVSSYSA-N 0 3 165.240 1.252 20 0 ADADHN C[C@@H]1CCN(Cc2cnc[nH]2)C1 197045004 351777661 /nfs/dbraw/zinc/77/76/61/351777661.db2.gz GFFROSJKBBXLBT-MRVPVSSYSA-N 0 3 165.240 1.252 20 0 ADADHN C[C@H]1CCN(Cc2c[nH]cn2)C1 197045016 351777691 /nfs/dbraw/zinc/77/76/91/351777691.db2.gz GFFROSJKBBXLBT-QMMMGPOBSA-N 0 3 165.240 1.252 20 0 ADADHN C[C@H]1CCN(Cc2cnc[nH]2)C1 197045016 351777695 /nfs/dbraw/zinc/77/76/95/351777695.db2.gz GFFROSJKBBXLBT-QMMMGPOBSA-N 0 3 165.240 1.252 20 0 ADADHN C[C@@H](c1cnccn1)N1CC[C@@H](C)C1 197044194 351777776 /nfs/dbraw/zinc/77/77/76/351777776.db2.gz OLQWGYXRIZENOF-ZJUUUORDSA-N 0 3 191.278 1.879 20 0 ADADHN CN1CCN(CCC2CCCC2)CC1 197529702 351778493 /nfs/dbraw/zinc/77/84/93/351778493.db2.gz BHRXOJCHCZUFPD-UHFFFAOYSA-N 0 3 196.338 1.814 20 0 ADADHN CC1CCN(Cc2cnn(C)c2)CC1 201005333 351781228 /nfs/dbraw/zinc/78/12/28/351781228.db2.gz PPRFBOAVLCISRQ-UHFFFAOYSA-N 0 3 193.294 1.652 20 0 ADADHN O[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 216180625 351787782 /nfs/dbraw/zinc/78/77/82/351787782.db2.gz AGAVMRPLCSBUDA-MNOVXSKESA-N 0 3 199.294 1.012 20 0 ADADHN C[C@]1(O)CCN(Cc2ccsc2)C1 219830927 351791048 /nfs/dbraw/zinc/79/10/48/351791048.db2.gz WNAXYAVZZADGEG-JTQLQIEISA-N 0 3 197.303 1.705 20 0 ADADHN C[C@]1(O)CCN(Cc2ccco2)C1 219827926 351791060 /nfs/dbraw/zinc/79/10/60/351791060.db2.gz ZNQQKELZKJMTIX-JTQLQIEISA-N 0 3 181.235 1.236 20 0 ADADHN C[C@@]1(O)CCN(Cc2ccco2)C1 219827870 351791073 /nfs/dbraw/zinc/79/10/73/351791073.db2.gz ZNQQKELZKJMTIX-SNVBAGLBSA-N 0 3 181.235 1.236 20 0 ADADHN Cc1ccc(CN2CC[C@@](C)(O)C2)o1 219828635 351791151 /nfs/dbraw/zinc/79/11/51/351791151.db2.gz SOPGHAZKLARBQL-LLVKDONJSA-N 0 3 195.262 1.545 20 0 ADADHN Cc1ccc(CN2CC[C@](C)(O)C2)o1 219828708 351791271 /nfs/dbraw/zinc/79/12/71/351791271.db2.gz SOPGHAZKLARBQL-NSHDSACASA-N 0 3 195.262 1.545 20 0 ADADHN C[C@@]1(O)CCN(Cc2cccs2)C1 219828478 351791473 /nfs/dbraw/zinc/79/14/73/351791473.db2.gz FBOJTQBTJVLIPF-SNVBAGLBSA-N 0 3 197.303 1.705 20 0 ADADHN C[C@@]1(O)CCN(Cc2ccsc2)C1 219830878 351791480 /nfs/dbraw/zinc/79/14/80/351791480.db2.gz WNAXYAVZZADGEG-SNVBAGLBSA-N 0 3 197.303 1.705 20 0 ADADHN C[C@]1(O)CCN(Cc2cccs2)C1 219828548 351791497 /nfs/dbraw/zinc/79/14/97/351791497.db2.gz FBOJTQBTJVLIPF-JTQLQIEISA-N 0 3 197.303 1.705 20 0 ADADHN CC(C)C1CCN(C(=O)[C@@H](C)N)CC1 220631043 351792811 /nfs/dbraw/zinc/79/28/11/351792811.db2.gz SQKGGQPTICZBBE-SECBINFHSA-N 0 3 198.310 1.228 20 0 ADADHN FCCNC1CCSCC1 220720713 351792856 /nfs/dbraw/zinc/79/28/56/351792856.db2.gz ADKSDHKZFPAHGJ-UHFFFAOYSA-N 0 3 163.261 1.441 20 0 ADADHN CC(C)C1CCN(C(=O)[C@H](C)N)CC1 223702815 351795445 /nfs/dbraw/zinc/79/54/45/351795445.db2.gz SQKGGQPTICZBBE-VIFPVBQESA-N 0 3 198.310 1.228 20 0 ADADHN Cn1cc(CN[C@@H]2C=CCCC2)cn1 224735830 351797222 /nfs/dbraw/zinc/79/72/22/351797222.db2.gz JHZIUJUNYGLECU-LLVKDONJSA-N 0 3 191.278 1.618 20 0 ADADHN Cn1cc(CN[C@H]2C=CCCC2)cn1 224735869 351797238 /nfs/dbraw/zinc/79/72/38/351797238.db2.gz JHZIUJUNYGLECU-NSHDSACASA-N 0 3 191.278 1.618 20 0 ADADHN C[C@H](O)CCN1CCSC[C@@H]1C 227996585 351804449 /nfs/dbraw/zinc/80/44/49/351804449.db2.gz BXOATJVQXUEOLZ-IUCAKERBSA-N 0 3 189.324 1.195 20 0 ADADHN C[C@@H]1CC[C@H](CN2CCC(O)CC2)O1 232030606 351813240 /nfs/dbraw/zinc/81/32/40/351813240.db2.gz GZTDAYWQPLZAOW-MWLCHTKSSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H]1CC[C@@H](CN2CCC(O)CC2)O1 232030599 351813506 /nfs/dbraw/zinc/81/35/06/351813506.db2.gz GZTDAYWQPLZAOW-KOLCDFICSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H](NC1CC1)c1ccnn1C 235522877 351817385 /nfs/dbraw/zinc/81/73/85/351817385.db2.gz WXHIVBLJCJJJFT-ZETCQYMHSA-N 0 3 165.240 1.233 20 0 ADADHN C[C@H]1c2ccccc2CCN1CCO 238471988 351822037 /nfs/dbraw/zinc/82/20/37/351822037.db2.gz ORBCCOIHUSGRJA-JTQLQIEISA-N 0 3 191.274 1.598 20 0 ADADHN Nc1ccncc1OC1CCC1 238661853 351823592 /nfs/dbraw/zinc/82/35/92/351823592.db2.gz QSUVIYIHNYPPSC-UHFFFAOYSA-N 0 3 164.208 1.595 20 0 ADADHN N[C@H](CF)c1ccc(F)c(F)c1 238684898 351823906 /nfs/dbraw/zinc/82/39/06/351823906.db2.gz FTMXIVXJLPHNFN-MRVPVSSYSA-N 0 3 175.153 1.934 20 0 ADADHN OC[C@@]1(F)CNC[C@H]1c1ccccc1 238854511 351825710 /nfs/dbraw/zinc/82/57/10/351825710.db2.gz OCJUAGWCCHXMJF-QWRGUYRKSA-N 0 3 195.237 1.074 20 0 ADADHN OC[C@@]1(F)CNC[C@@H]1c1ccccc1 238854510 351825748 /nfs/dbraw/zinc/82/57/48/351825748.db2.gz OCJUAGWCCHXMJF-MNOVXSKESA-N 0 3 195.237 1.074 20 0 ADADHN OC[C@]1(F)CNC[C@@H]1c1ccccc1 238854509 351825809 /nfs/dbraw/zinc/82/58/09/351825809.db2.gz OCJUAGWCCHXMJF-GHMZBOCLSA-N 0 3 195.237 1.074 20 0 ADADHN OC[C@]1(F)CNC[C@H]1c1ccccc1 238854512 351825830 /nfs/dbraw/zinc/82/58/30/351825830.db2.gz OCJUAGWCCHXMJF-WDEREUQCSA-N 0 3 195.237 1.074 20 0 ADADHN CO[C@@H]1CCN(Cc2cccnc2)C1 238887859 351826451 /nfs/dbraw/zinc/82/64/51/351826451.db2.gz QHEUXCOKOVVRIV-LLVKDONJSA-N 0 3 192.262 1.302 20 0 ADADHN CO[C@H]1CCN(Cc2cccnc2)C1 238887861 351826649 /nfs/dbraw/zinc/82/66/49/351826649.db2.gz QHEUXCOKOVVRIV-NSHDSACASA-N 0 3 192.262 1.302 20 0 ADADHN CC[C@@H](C)N1CCN2CCCC[C@H]2C1 251798109 351836568 /nfs/dbraw/zinc/83/65/68/351836568.db2.gz KIFCYUYVKHSBRP-NEPJUHHUSA-N 0 3 196.338 1.955 20 0 ADADHN COC(=O)[C@@H](C)N1CCC[C@H](C)CC1 252177819 351837168 /nfs/dbraw/zinc/83/71/68/351837168.db2.gz PJEUZKNORJKSBU-VHSXEESVSA-N 0 3 199.294 1.670 20 0 ADADHN O[C@@H]1CCCN(C[C@H]2CCCCO2)C1 252369901 351837961 /nfs/dbraw/zinc/83/79/61/351837961.db2.gz AGAVMRPLCSBUDA-GHMZBOCLSA-N 0 3 199.294 1.012 20 0 ADADHN O[C@H]1CC[C@H](NCc2ccco2)CC1 252707036 351841980 /nfs/dbraw/zinc/84/19/80/351841980.db2.gz VWECKCHYHZMCFQ-MGCOHNPYSA-N 0 3 195.262 1.673 20 0 ADADHN CC(C)(N)C(=O)N[C@H]1CC[C@H](C)CC1 252712375 351842437 /nfs/dbraw/zinc/84/24/37/351842437.db2.gz MGRITQNFGSOILS-KYZUINATSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H]1CC[C@H](NC(=O)C2(N)CC2)CC1 252715247 351842508 /nfs/dbraw/zinc/84/25/08/351842508.db2.gz VAPUCZOSGVPGCW-KYZUINATSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@H](O)CCN1CCSC[C@H]1C 252844655 351843460 /nfs/dbraw/zinc/84/34/60/351843460.db2.gz BXOATJVQXUEOLZ-BDAKNGLRSA-N 0 3 189.324 1.195 20 0 ADADHN C[C@H](O)CCN1CCS[C@H](C)C1 252885364 351843410 /nfs/dbraw/zinc/84/34/10/351843410.db2.gz XUZAUPQVVYKCIY-DTWKUNHWSA-N 0 3 189.324 1.195 20 0 ADADHN CCN1C(=O)c2ccccc2[C@@H]1CN 257896122 351854060 /nfs/dbraw/zinc/85/40/60/351854060.db2.gz XZPSCVXDSWWWBU-JTQLQIEISA-N 0 3 190.246 1.162 20 0 ADADHN CCN1C(=O)c2ccccc2[C@H]1CN 257896124 351854099 /nfs/dbraw/zinc/85/40/99/351854099.db2.gz XZPSCVXDSWWWBU-SNVBAGLBSA-N 0 3 190.246 1.162 20 0 ADADHN CCOc1cccc2c1CNC2 257981831 351856613 /nfs/dbraw/zinc/85/66/13/351856613.db2.gz KZNSYWWJLLTMAY-UHFFFAOYSA-N 0 3 163.220 1.689 20 0 ADADHN Cc1ncc(CNC(C)C)o1 258029090 351857296 /nfs/dbraw/zinc/85/72/96/351857296.db2.gz DPRCETREPBJMMW-UHFFFAOYSA-N 0 3 154.213 1.481 20 0 ADADHN Nc1ncc(CNC2CCC2)s1 258126145 351859550 /nfs/dbraw/zinc/85/95/50/351859550.db2.gz JUEXSVBXQIFKHS-UHFFFAOYSA-N 0 3 183.280 1.367 20 0 ADADHN c1nc(CN2CCCCCC2)c[nH]1 258178881 351860500 /nfs/dbraw/zinc/86/05/00/351860500.db2.gz MVLGSIRHFDJMOC-UHFFFAOYSA-N 0 3 179.267 1.786 20 0 ADADHN c1ncc(CN2CCCCCC2)[nH]1 258178881 351860504 /nfs/dbraw/zinc/86/05/04/351860504.db2.gz MVLGSIRHFDJMOC-UHFFFAOYSA-N 0 3 179.267 1.786 20 0 ADADHN Cn1cncc1CN1CCCCCC1 258169562 351860629 /nfs/dbraw/zinc/86/06/29/351860629.db2.gz MFOLIYBZDOIICA-UHFFFAOYSA-N 0 3 193.294 1.796 20 0 ADADHN Cn1cncc1CN1CCCCC1 258236472 351861309 /nfs/dbraw/zinc/86/13/09/351861309.db2.gz QHJWZQWZTPMBBV-UHFFFAOYSA-N 0 3 179.267 1.406 20 0 ADADHN C[C@@H]1CN(C2CCCC2)C[C@H](CO)O1 299901216 351893694 /nfs/dbraw/zinc/89/36/94/351893694.db2.gz AWMCJFBSOVQSKW-MWLCHTKSSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H]1CCN(Cc2ccco2)C[C@H]1O 299911008 351893838 /nfs/dbraw/zinc/89/38/38/351893838.db2.gz MNOQRZOIEHPLJQ-MWLCHTKSSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@H]1CCN(Cc2ccco2)[C@H]1CO 299912256 351894270 /nfs/dbraw/zinc/89/42/70/351894270.db2.gz OYHKAKGRCKIQIL-ONGXEEELSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@@H]1CCN(Cc2ccco2)[C@H]1CO 299912255 351894274 /nfs/dbraw/zinc/89/42/74/351894274.db2.gz OYHKAKGRCKIQIL-KOLCDFICSA-N 0 3 195.262 1.482 20 0 ADADHN C[C@H]1CN(C2CCCC2)C[C@H](CO)O1 299901213 351894342 /nfs/dbraw/zinc/89/43/42/351894342.db2.gz AWMCJFBSOVQSKW-GXSJLCMTSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CCN(Cc2ccco2)C[C@H]1O 299911007 351894355 /nfs/dbraw/zinc/89/43/55/351894355.db2.gz MNOQRZOIEHPLJQ-GXSJLCMTSA-N 0 3 195.262 1.482 20 0 ADADHN CC[C@@H](C)N1CCC[C@](F)(CO)C1 306162628 351903171 /nfs/dbraw/zinc/90/31/71/351903171.db2.gz HACNVERJILQXIY-NXEZZACHSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@@H](C)N1CCC[C@@](F)(CO)C1 306162631 351903546 /nfs/dbraw/zinc/90/35/46/351903546.db2.gz HACNVERJILQXIY-ZJUUUORDSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@@H](C)N1CC[C@@](F)(CO)C1 306177902 351905048 /nfs/dbraw/zinc/90/50/48/351905048.db2.gz XUWROWJSRWDZJS-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN CCC(=O)C1(NC)CCC1 306173616 351905052 /nfs/dbraw/zinc/90/50/52/351905052.db2.gz BLILTGAVPUOKTH-UHFFFAOYSA-N 0 3 141.214 1.108 20 0 ADADHN OCCCN1CCc2ccsc2C1 306188693 351905702 /nfs/dbraw/zinc/90/57/02/351905702.db2.gz OYDWYWOCJHAARU-UHFFFAOYSA-N 0 3 197.303 1.489 20 0 ADADHN C[C@@](O)(CN1CCCC1)C(F)(F)F 306186058 351905755 /nfs/dbraw/zinc/90/57/55/351905755.db2.gz IZTBOMPYMGRFKW-SSDOTTSWSA-N 0 3 197.200 1.396 20 0 ADADHN OC[C@]1(F)CCCN(CC2CC2)C1 306201634 351906624 /nfs/dbraw/zinc/90/66/24/351906624.db2.gz OHDMQXUKLMXAQZ-JTQLQIEISA-N 0 3 187.258 1.193 20 0 ADADHN OC[C@@]1(F)CCCN(CC2CC2)C1 306201637 351906705 /nfs/dbraw/zinc/90/67/05/351906705.db2.gz OHDMQXUKLMXAQZ-SNVBAGLBSA-N 0 3 187.258 1.193 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1Cc1ccco1 306210293 351907830 /nfs/dbraw/zinc/90/78/30/351907830.db2.gz GNHNXFTVWIRFHY-RKDXNWHRSA-N 0 3 181.235 1.235 20 0 ADADHN CC(C)=CCN1CCCOCC1 306211927 351907894 /nfs/dbraw/zinc/90/78/94/351907894.db2.gz QQIRSBISQRWCLN-UHFFFAOYSA-N 0 3 169.268 1.675 20 0 ADADHN C[C@@H]1CCCN1Cc1c[nH]cn1 306214184 351908073 /nfs/dbraw/zinc/90/80/73/351908073.db2.gz WPWUQKYJGVBBPB-MRVPVSSYSA-N 0 3 165.240 1.394 20 0 ADADHN C[C@@H]1C[C@H](O)CN1Cc1ccco1 306210285 351908127 /nfs/dbraw/zinc/90/81/27/351908127.db2.gz GNHNXFTVWIRFHY-BDAKNGLRSA-N 0 3 181.235 1.235 20 0 ADADHN C[C@@H]1CCCN(Cc2c[nH]nn2)C1 306225288 351909942 /nfs/dbraw/zinc/90/99/42/351909942.db2.gz FCHZKYSSECKZDP-MRVPVSSYSA-N 0 3 180.255 1.037 20 0 ADADHN C[C@@H]1CN(Cc2cc[nH]n2)C[C@@H]1C 306240655 351912257 /nfs/dbraw/zinc/91/22/57/351912257.db2.gz UEWWNCLXAOXCOV-DTORHVGOSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@@H]1CN(Cc2cc[nH]n2)C[C@H]1C 306240658 351912337 /nfs/dbraw/zinc/91/23/37/351912337.db2.gz UEWWNCLXAOXCOV-RKDXNWHRSA-N 0 3 179.267 1.498 20 0 ADADHN C[C@@H]1[C@@H](C)N(CCCF)CCN1C 306277362 351914295 /nfs/dbraw/zinc/91/42/95/351914295.db2.gz UPLIMEHRKXMNMM-NXEZZACHSA-N 0 3 188.290 1.370 20 0 ADADHN C[C@@H]1CCCN1Cc1ccnn1C 306284001 351915646 /nfs/dbraw/zinc/91/56/46/351915646.db2.gz IQBCULYFNFNBFX-SECBINFHSA-N 0 3 179.267 1.404 20 0 ADADHN C[C@@H]1COCCN1CC1CCC1 306284674 351915835 /nfs/dbraw/zinc/91/58/35/351915835.db2.gz IZTRNYSUTSWJKA-SECBINFHSA-N 0 3 169.268 1.507 20 0 ADADHN C[C@@H]1OCC[C@@H]1N[C@H](C)CF 306287167 351916212 /nfs/dbraw/zinc/91/62/12/351916212.db2.gz KUVNOWFLBIUKQG-CSMHCCOUSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@@H]1OCC[C@H]1N[C@H](C)CF 306287170 351916237 /nfs/dbraw/zinc/91/62/37/351916237.db2.gz KUVNOWFLBIUKQG-GJMOJQLCSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@H](CF)N[C@H]1CCO[C@@H]1C 306287172 351916274 /nfs/dbraw/zinc/91/62/74/351916274.db2.gz KUVNOWFLBIUKQG-PRJMDXOYSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@H](CF)N[C@@H]1CCO[C@@H]1C 306287164 351916384 /nfs/dbraw/zinc/91/63/84/351916384.db2.gz KUVNOWFLBIUKQG-BWZBUEFSSA-N 0 3 161.220 1.111 20 0 ADADHN c1ncn2c1CN(CC1CC1)CC2 306302663 351918642 /nfs/dbraw/zinc/91/86/42/351918642.db2.gz CHEBTEWCQFEHCB-UHFFFAOYSA-N 0 3 177.251 1.109 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCOCC1(C)C 306318355 351920147 /nfs/dbraw/zinc/92/01/47/351920147.db2.gz BEOQVLNUPCEMNN-ZJUUUORDSA-N 0 3 183.295 1.753 20 0 ADADHN CC(C)=CCN1CCN(C)C[C@H]1C 306318757 351920259 /nfs/dbraw/zinc/92/02/59/351920259.db2.gz UNDMAIFDDIVOAY-LLVKDONJSA-N 0 3 182.311 1.589 20 0 ADADHN C[C@@H]1CCCCN1Cc1c[nH]cn1 306344148 351921416 /nfs/dbraw/zinc/92/14/16/351921416.db2.gz CDQSYAAOLMIHBU-SECBINFHSA-N 0 3 179.267 1.784 20 0 ADADHN C[C@@H]1CCCCN1Cc1cnc[nH]1 306344148 351921418 /nfs/dbraw/zinc/92/14/18/351921418.db2.gz CDQSYAAOLMIHBU-SECBINFHSA-N 0 3 179.267 1.784 20 0 ADADHN CC(C)CCN1CCOC[C@@H]1C 306348417 351921429 /nfs/dbraw/zinc/92/14/29/351921429.db2.gz TVRHSVGITRZPSF-JTQLQIEISA-N 0 3 171.284 1.753 20 0 ADADHN CC(C)CCN1CCOC[C@H]1C 306348418 351921656 /nfs/dbraw/zinc/92/16/56/351921656.db2.gz TVRHSVGITRZPSF-SNVBAGLBSA-N 0 3 171.284 1.753 20 0 ADADHN CC(C)CCN1CCOCC12CC2 306363419 351923233 /nfs/dbraw/zinc/92/32/33/351923233.db2.gz XXQSTDMRSFVZIC-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN c1cc(CN[C@H]2CCC23CCC3)n[nH]1 306365021 351923746 /nfs/dbraw/zinc/92/37/46/351923746.db2.gz GMQDJPKYWFEMNL-JTQLQIEISA-N 0 3 191.278 1.832 20 0 ADADHN c1cc(CN[C@@H]2CCC23CCC3)n[nH]1 306365026 351923907 /nfs/dbraw/zinc/92/39/07/351923907.db2.gz GMQDJPKYWFEMNL-SNVBAGLBSA-N 0 3 191.278 1.832 20 0 ADADHN C[C@@H]1COCCN1CCC1CC1 306370189 351924016 /nfs/dbraw/zinc/92/40/16/351924016.db2.gz LRWVNJBFKXYHRC-SECBINFHSA-N 0 3 169.268 1.507 20 0 ADADHN C[C@@H]1CSC[C@H]1NCc1ccno1 306379411 351924393 /nfs/dbraw/zinc/92/43/93/351924393.db2.gz PSWSDRGIRTWTKS-VXNVDRBHSA-N 0 3 198.291 1.516 20 0 ADADHN C[C@@H]1CCCN(Cc2ccno2)C1 306416704 351926873 /nfs/dbraw/zinc/92/68/73/351926873.db2.gz RUIKXNRVLYCGID-SECBINFHSA-N 0 3 180.251 1.907 20 0 ADADHN CC[C@@H](C)N1CCOC(C)(C)C1 306412027 351926924 /nfs/dbraw/zinc/92/69/24/351926924.db2.gz LHEMOJOKIKLBQW-SECBINFHSA-N 0 3 171.284 1.896 20 0 ADADHN C[C@@H]1CN(CCCF)CCS1 306417314 351927681 /nfs/dbraw/zinc/92/76/81/351927681.db2.gz SUYKARAOARTJGC-MRVPVSSYSA-N 0 3 177.288 1.783 20 0 ADADHN CC(C)CCN1CCO[C@H](C)C1 306435740 351928769 /nfs/dbraw/zinc/92/87/69/351928769.db2.gz LHVOXPAJYXQWQF-SNVBAGLBSA-N 0 3 171.284 1.753 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2c[nH]cn2)C1 306439753 351930499 /nfs/dbraw/zinc/93/04/99/351930499.db2.gz HJYCJCJPPIWQIP-RKDXNWHRSA-N 0 3 179.267 1.640 20 0 ADADHN C[C@@H]1CN(CC2CC2)CCO1 306456240 351933196 /nfs/dbraw/zinc/93/31/96/351933196.db2.gz RZNUSHROXRZVLV-MRVPVSSYSA-N 0 3 155.241 1.117 20 0 ADADHN CC(C)=CCN[C@@H]1C(=O)NCC[C@@H]1C 306471453 351934603 /nfs/dbraw/zinc/93/46/03/351934603.db2.gz RSMHADYYCPIGHT-UWVGGRQHSA-N 0 3 196.294 1.067 20 0 ADADHN CC(C)=CCN[C@H]1C(=O)NCC[C@@H]1C 306471455 351934707 /nfs/dbraw/zinc/93/47/07/351934707.db2.gz RSMHADYYCPIGHT-VHSXEESVSA-N 0 3 196.294 1.067 20 0 ADADHN CC(C)=CCN[C@@H]1C(=O)NCC[C@H]1C 306471457 351934810 /nfs/dbraw/zinc/93/48/10/351934810.db2.gz RSMHADYYCPIGHT-ZJUUUORDSA-N 0 3 196.294 1.067 20 0 ADADHN CC(C)=CCN[C@H]1C(=O)NCC[C@H]1C 306471452 351934868 /nfs/dbraw/zinc/93/48/68/351934868.db2.gz RSMHADYYCPIGHT-NXEZZACHSA-N 0 3 196.294 1.067 20 0 ADADHN CC(C)CN1CCO[C@H](C)C1 306505315 351939147 /nfs/dbraw/zinc/93/91/47/351939147.db2.gz FDIZOHMHIJBIBV-SECBINFHSA-N 0 3 157.257 1.363 20 0 ADADHN OCCCN1CCOCC12CCCC2 306523112 351941877 /nfs/dbraw/zinc/94/18/77/351941877.db2.gz ROTWYQFULUAGRD-UHFFFAOYSA-N 0 3 199.294 1.014 20 0 ADADHN CC[C@@H](C)CN1CCOCC12CC2 306532498 351942206 /nfs/dbraw/zinc/94/22/06/351942206.db2.gz GLZKSGUFACCESG-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@@H]1CN(CC2CCC2)[C@H](C)CO1 306537247 351942726 /nfs/dbraw/zinc/94/27/26/351942726.db2.gz LGSSMACHTWELEN-NXEZZACHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1CCCN1Cc1ccno1 306538486 351942813 /nfs/dbraw/zinc/94/28/13/351942813.db2.gz STEJTRJETUADPY-MRVPVSSYSA-N 0 3 166.224 1.659 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2ccno2)C1 306550784 351944752 /nfs/dbraw/zinc/94/47/52/351944752.db2.gz ZRUFAVAAVZTXGU-RKDXNWHRSA-N 0 3 180.251 1.905 20 0 ADADHN CC[C@@H](C)N1CCO[C@@H](C)C1 306558044 351945756 /nfs/dbraw/zinc/94/57/56/351945756.db2.gz OAEAIPJYEGMWAS-BDAKNGLRSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@@H](C(N)=O)N1CCC2(CCC2)C1 306561298 351945858 /nfs/dbraw/zinc/94/58/58/351945858.db2.gz SQPHKCXABLDWHU-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN C[C@@H]1OCCN(CCCF)[C@H]1C 306570601 351946748 /nfs/dbraw/zinc/94/67/48/351946748.db2.gz ZDSILPZKKCRLBY-IUCAKERBSA-N 0 3 175.247 1.455 20 0 ADADHN C[C@@H]1OCCN(CCCF)[C@@H]1C 306570599 351946889 /nfs/dbraw/zinc/94/68/89/351946889.db2.gz ZDSILPZKKCRLBY-BDAKNGLRSA-N 0 3 175.247 1.455 20 0 ADADHN C[C@@H]1CCN(Cc2c[nH]cn2)[C@@H]1C 306574233 351947512 /nfs/dbraw/zinc/94/75/12/351947512.db2.gz QYVWUQYCDHXENL-RKDXNWHRSA-N 0 3 179.267 1.640 20 0 ADADHN c1cn2c(n1)[C@@H](NCC1CCC1)CC2 306590330 351948693 /nfs/dbraw/zinc/94/86/93/351948693.db2.gz ADSYXJPGBOXDLO-JTQLQIEISA-N 0 3 191.278 1.718 20 0 ADADHN C[C@@H]1COC[C@@H](C)N1CC1CCC1 306604153 351949914 /nfs/dbraw/zinc/94/99/14/351949914.db2.gz NLXMHJFWOMSESY-NXEZZACHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1C[C@@H](NCC2CC2)c2nccn21 306628415 351951787 /nfs/dbraw/zinc/95/17/87/351951787.db2.gz KLYXUOALADVZMD-PSASIEDQSA-N 0 3 191.278 1.889 20 0 ADADHN C[C@@H]1C[C@H](NCC2CC2)c2nccn21 306628416 351951851 /nfs/dbraw/zinc/95/18/51/351951851.db2.gz KLYXUOALADVZMD-SCZZXKLOSA-N 0 3 191.278 1.889 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1Cc1ccncc1 306657236 351953990 /nfs/dbraw/zinc/95/39/90/351953990.db2.gz JRVXAKMDTISHTI-MWLCHTKSSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@@H]1C[C@H](O)CN1Cc1ccncc1 306657234 351954004 /nfs/dbraw/zinc/95/40/04/351954004.db2.gz JRVXAKMDTISHTI-KOLCDFICSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@@H]1C[C@H](O)CN1Cc1cccnc1 306663604 351954619 /nfs/dbraw/zinc/95/46/19/351954619.db2.gz QVVRHXWZMJDJJX-KOLCDFICSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1Cc1cccnc1 306663605 351954740 /nfs/dbraw/zinc/95/47/40/351954740.db2.gz QVVRHXWZMJDJJX-MWLCHTKSSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CN 306676966 351955442 /nfs/dbraw/zinc/95/54/42/351955442.db2.gz XRUDNPXLCNZYAB-BDAKNGLRSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@@H]1C[C@H](O)CN1Cc1cccs1 306718854 351958662 /nfs/dbraw/zinc/95/86/62/351958662.db2.gz WVASRKMWYSWPPQ-BDAKNGLRSA-N 0 3 197.303 1.703 20 0 ADADHN CC(=O)CN1CCC2(CCOCC2)C1 306718751 351958737 /nfs/dbraw/zinc/95/87/37/351958737.db2.gz WQBCGCRNVRYGGF-UHFFFAOYSA-N 0 3 197.278 1.078 20 0 ADADHN C[C@@H]1CCN(C(=O)C2(N)CCC2)[C@@H]1C 306721436 351959322 /nfs/dbraw/zinc/95/93/22/351959322.db2.gz ONEHSLDVPUYUKM-RKDXNWHRSA-N 0 3 196.294 1.125 20 0 ADADHN c1cn2c(n1)[C@H](NC1CCC1)CC2 306772701 351963908 /nfs/dbraw/zinc/96/39/08/351963908.db2.gz DMQDHLINBIZBET-SECBINFHSA-N 0 3 177.251 1.470 20 0 ADADHN c1cn2c(n1)[C@@H](NC1CCC1)CC2 306772702 351964129 /nfs/dbraw/zinc/96/41/29/351964129.db2.gz DMQDHLINBIZBET-VIFPVBQESA-N 0 3 177.251 1.470 20 0 ADADHN C[C@@H]1CSC[C@@H]1NCc1cc[nH]n1 306793083 351965636 /nfs/dbraw/zinc/96/56/36/351965636.db2.gz APKCKQVXRFPHPV-APPZFPTMSA-N 0 3 197.307 1.251 20 0 ADADHN C[C@@H]1CN(CC2(C)CCC2)CCO1 306791294 351965818 /nfs/dbraw/zinc/96/58/18/351965818.db2.gz XBUMUMXJNYTFLR-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@@H]1CSC[C@H]1NCc1cc[nH]n1 306793097 351965858 /nfs/dbraw/zinc/96/58/58/351965858.db2.gz APKCKQVXRFPHPV-VXNVDRBHSA-N 0 3 197.307 1.251 20 0 ADADHN c1cn2c(n1)[C@H](NCC1CC1)CC2 306808580 351967089 /nfs/dbraw/zinc/96/70/89/351967089.db2.gz PNJNODNSHXHJST-SECBINFHSA-N 0 3 177.251 1.328 20 0 ADADHN c1cn2c(n1)[C@@H](NCC1CC1)CC2 306808581 351966890 /nfs/dbraw/zinc/96/68/90/351966890.db2.gz PNJNODNSHXHJST-VIFPVBQESA-N 0 3 177.251 1.328 20 0 ADADHN C[C@@H]1CN(CCC2CC2)CCO1 306833736 351968052 /nfs/dbraw/zinc/96/80/52/351968052.db2.gz QGXHRBJZPBDMIO-SECBINFHSA-N 0 3 169.268 1.507 20 0 ADADHN CC(C)CCN1CCO[C@@H](C)C1 306847485 351968620 /nfs/dbraw/zinc/96/86/20/351968620.db2.gz LHVOXPAJYXQWQF-JTQLQIEISA-N 0 3 171.284 1.753 20 0 ADADHN CN(C)C1(CNc2ccccn2)CC1 306844512 351968742 /nfs/dbraw/zinc/96/87/42/351968742.db2.gz FFXZAVMGDUREMO-UHFFFAOYSA-N 0 3 191.278 1.588 20 0 ADADHN O[C@H](CN1CCC1)C1CCCCC1 306859990 351969818 /nfs/dbraw/zinc/96/98/18/351969818.db2.gz DGPYPLFMVDXWES-LLVKDONJSA-N 0 3 183.295 1.633 20 0 ADADHN C[C@@H]1C[C@H](O)CN(Cc2ccco2)C1 306873858 351970317 /nfs/dbraw/zinc/97/03/17/351970317.db2.gz YMNCNMDNETVPBJ-ZJUUUORDSA-N 0 3 195.262 1.482 20 0 ADADHN CC(C)CN1CCOCC12CC2 306925315 351974739 /nfs/dbraw/zinc/97/47/39/351974739.db2.gz MEHWXMJDQAJKQY-UHFFFAOYSA-N 0 3 169.268 1.507 20 0 ADADHN C[C@@H]1N(CCCF)CCOC1(C)C 306975088 351979227 /nfs/dbraw/zinc/97/92/27/351979227.db2.gz ZBSLPDFEDUBOTE-VIFPVBQESA-N 0 3 189.274 1.845 20 0 ADADHN C[C@@H]1CCC[C@@]12NCCc1nc[nH]c12 306981232 351979597 /nfs/dbraw/zinc/97/95/97/351979597.db2.gz HOSTUFAKOGWVAZ-LDYMZIIASA-N 0 3 191.278 1.571 20 0 ADADHN C[C@H]1CCC[C@]12NCCc1nc[nH]c12 306981231 351979603 /nfs/dbraw/zinc/97/96/03/351979603.db2.gz HOSTUFAKOGWVAZ-KWQFWETISA-N 0 3 191.278 1.571 20 0 ADADHN Cc1occc1CN[C@H]1CCC[C@@H]1O 307027454 351981894 /nfs/dbraw/zinc/98/18/94/351981894.db2.gz JUURIYTYJZPAQT-QWRGUYRKSA-N 0 3 195.262 1.591 20 0 ADADHN CC[C@@H](C)N[C@H]1CCn2ccnc21 307073786 351985251 /nfs/dbraw/zinc/98/52/51/351985251.db2.gz ADBJZAIFSZOYCU-BDAKNGLRSA-N 0 3 179.267 1.716 20 0 ADADHN C[C@@H]1COCCN1CC1(C)CCC1 307071579 351985257 /nfs/dbraw/zinc/98/52/57/351985257.db2.gz XLIZYLGGBWFZOJ-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN CC[C@@H](C)N[C@@H]1CCn2ccnc21 307073801 351985273 /nfs/dbraw/zinc/98/52/73/351985273.db2.gz ADBJZAIFSZOYCU-RKDXNWHRSA-N 0 3 179.267 1.716 20 0 ADADHN CC(C)CN1CCOC2(CCC2)C1 307082710 351985978 /nfs/dbraw/zinc/98/59/78/351985978.db2.gz JVYNZXBBPQDWCN-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN CC[C@@H](C)CN1CCO[C@@H](C)C1 307088979 351986084 /nfs/dbraw/zinc/98/60/84/351986084.db2.gz ULLXDROIPPNNDJ-ZJUUUORDSA-N 0 3 171.284 1.753 20 0 ADADHN C[C@@H]1CN(CCCF)CC(C)(C)O1 307124322 351987956 /nfs/dbraw/zinc/98/79/56/351987956.db2.gz YIWHXPOQNYVGHZ-SECBINFHSA-N 0 3 189.274 1.845 20 0 ADADHN CC(C)C(=O)NCC1=CCN(C)CC1 307145127 351990077 /nfs/dbraw/zinc/99/00/77/351990077.db2.gz ITQGHLLPBJNHER-UHFFFAOYSA-N 0 3 196.294 1.021 20 0 ADADHN C[C@@H]1CN(CC2CCCC2)CCO1 307155018 351990612 /nfs/dbraw/zinc/99/06/12/351990612.db2.gz VGGLDFOHJDFIFV-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN CC(C)CN1CCO[C@H]2CCC[C@H]21 307180164 351992335 /nfs/dbraw/zinc/99/23/35/351992335.db2.gz KZOQPZSCTLHBBY-MNOVXSKESA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCOC(C)(C)C1 307191911 351993340 /nfs/dbraw/zinc/99/33/40/351993340.db2.gz KZYPSEMJMWKWMZ-NXEZZACHSA-N 0 3 183.295 1.753 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCOC(C)(C)C1 307191914 351993346 /nfs/dbraw/zinc/99/33/46/351993346.db2.gz KZYPSEMJMWKWMZ-ZJUUUORDSA-N 0 3 183.295 1.753 20 0 ADADHN OC[C@]1(F)CCN(CC2CCC2)C1 307259883 351998749 /nfs/dbraw/zinc/99/87/49/351998749.db2.gz CZNJFYXTAVZHOW-JTQLQIEISA-N 0 3 187.258 1.193 20 0 ADADHN OC[C@@]1(F)CCN(CC2CCC2)C1 307259884 351998985 /nfs/dbraw/zinc/99/89/85/351998985.db2.gz CZNJFYXTAVZHOW-SNVBAGLBSA-N 0 3 187.258 1.193 20 0 ADADHN C[C@@H]1CC[C@@H]1NCc1nccn1C 307273986 352000026 /nfs/dbraw/zinc/00/00/26/352000026.db2.gz LKAWLIZEBQYNOV-BDAKNGLRSA-N 0 3 179.267 1.308 20 0 ADADHN C[C@@H]1CC[C@H]1NCc1nccn1C 307273989 352000057 /nfs/dbraw/zinc/00/00/57/352000057.db2.gz LKAWLIZEBQYNOV-RKDXNWHRSA-N 0 3 179.267 1.308 20 0 ADADHN Cc1nnsc1CNC1CC=CC1 307273835 352000074 /nfs/dbraw/zinc/00/00/74/352000074.db2.gz XITNMXIUCLNNNK-UHFFFAOYSA-N 0 3 195.291 1.655 20 0 ADADHN C[C@@H]1CSCCN1CCCF 307283972 352001283 /nfs/dbraw/zinc/00/12/83/352001283.db2.gz KMKXIISFRLLWPD-MRVPVSSYSA-N 0 3 177.288 1.783 20 0 ADADHN OCc1ccc(CN2C[C@H]3C[C@H]3C2)o1 307308649 352002275 /nfs/dbraw/zinc/00/22/75/352002275.db2.gz HVGIEGIUKFKNDI-DTORHVGOSA-N 0 3 193.246 1.224 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cnns1 307327427 352003775 /nfs/dbraw/zinc/00/37/75/352003775.db2.gz OVUGLAWGVDTVLO-APPZFPTMSA-N 0 3 197.307 1.816 20 0 ADADHN O[C@@H]1CCCN(Cc2ccco2)CC1 307328628 352004005 /nfs/dbraw/zinc/00/40/05/352004005.db2.gz VYQOFBOOVMKRMX-SNVBAGLBSA-N 0 3 195.262 1.626 20 0 ADADHN O[C@H]1CCCN(Cc2ccco2)CC1 307328627 352004105 /nfs/dbraw/zinc/00/41/05/352004105.db2.gz VYQOFBOOVMKRMX-JTQLQIEISA-N 0 3 195.262 1.626 20 0 ADADHN CC1(C)CC(NCCF)C1 307355548 352006696 /nfs/dbraw/zinc/00/66/96/352006696.db2.gz UKZLIOWCQCWFLT-UHFFFAOYSA-N 0 3 145.221 1.734 20 0 ADADHN CC[C@@H](C)CN1CCO[C@H](C)C1 307390848 352009048 /nfs/dbraw/zinc/00/90/48/352009048.db2.gz ULLXDROIPPNNDJ-NXEZZACHSA-N 0 3 171.284 1.753 20 0 ADADHN c1cc(CNC2CC3(CCC3)C2)n[nH]1 307410368 352010646 /nfs/dbraw/zinc/01/06/46/352010646.db2.gz GLHOZQKFCDEHMC-UHFFFAOYSA-N 0 3 191.278 1.832 20 0 ADADHN Cc1nnsc1CN[C@H]1CC1(C)C 307436148 352013242 /nfs/dbraw/zinc/01/32/42/352013242.db2.gz OYDUMMDQOPWSBE-QMMMGPOBSA-N 0 3 197.307 1.735 20 0 ADADHN CC(C)CN1CCOC[C@H]1C1CC1 307441066 352013372 /nfs/dbraw/zinc/01/33/72/352013372.db2.gz ZNPHWVURMRQTQS-NSHDSACASA-N 0 3 183.295 1.753 20 0 ADADHN Cc1nnsc1CN[C@@H]1CC1(C)C 307436144 352013408 /nfs/dbraw/zinc/01/34/08/352013408.db2.gz OYDUMMDQOPWSBE-MRVPVSSYSA-N 0 3 197.307 1.735 20 0 ADADHN CC(C)CN1CCOC[C@@H]1C1CC1 307441065 352013538 /nfs/dbraw/zinc/01/35/38/352013538.db2.gz ZNPHWVURMRQTQS-LLVKDONJSA-N 0 3 183.295 1.753 20 0 ADADHN CCC(=O)N1CCCN(CC)C[C@H]1C 307446654 352013967 /nfs/dbraw/zinc/01/39/67/352013967.db2.gz WQKKPWCXMWSSJH-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCC(=O)N1CCCN(CC)C[C@@H]1C 307446653 352013998 /nfs/dbraw/zinc/01/39/98/352013998.db2.gz WQKKPWCXMWSSJH-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN c1n[nH]cc1CCN1CCSCC1 307459133 352014720 /nfs/dbraw/zinc/01/47/20/352014720.db2.gz DMFNIBXYDMZKDY-UHFFFAOYSA-N 0 3 197.307 1.001 20 0 ADADHN C[C@@H]1CCN(Cc2ccno2)C1 307464621 352015353 /nfs/dbraw/zinc/01/53/53/352015353.db2.gz HDCOYXLMLJQJAV-MRVPVSSYSA-N 0 3 166.224 1.516 20 0 ADADHN Cc1nnsc1CNC1(C)CCC1 307483122 352016486 /nfs/dbraw/zinc/01/64/86/352016486.db2.gz ZZFOVPGXQXPPKQ-UHFFFAOYSA-N 0 3 197.307 1.879 20 0 ADADHN CC[C@@H]1[C@H](C)CCN1CC(C)=O 307505694 352018091 /nfs/dbraw/zinc/01/80/91/352018091.db2.gz QGDSVUMMNBXATB-PSASIEDQSA-N 0 3 169.268 1.696 20 0 ADADHN CC[C@H]1[C@@H](C)CCN1CC(C)=O 307505699 352017984 /nfs/dbraw/zinc/01/79/84/352017984.db2.gz QGDSVUMMNBXATB-WPRPVWTQSA-N 0 3 169.268 1.696 20 0 ADADHN CC[C@H]1[C@H](C)CCN1CC(C)=O 307505696 352018078 /nfs/dbraw/zinc/01/80/78/352018078.db2.gz QGDSVUMMNBXATB-SCZZXKLOSA-N 0 3 169.268 1.696 20 0 ADADHN CC[C@@H]1[C@@H](C)CCN1CC(C)=O 307505697 352018115 /nfs/dbraw/zinc/01/81/15/352018115.db2.gz QGDSVUMMNBXATB-WCBMZHEXSA-N 0 3 169.268 1.696 20 0 ADADHN C[C@@H]1CN(CCCF)[C@H](C)CO1 307518244 352018711 /nfs/dbraw/zinc/01/87/11/352018711.db2.gz KTEFUCHIMUNJCD-RKDXNWHRSA-N 0 3 175.247 1.455 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1Cc1ccsc1 307535723 352020762 /nfs/dbraw/zinc/02/07/62/352020762.db2.gz IFUVCXJAHNFUQZ-PSASIEDQSA-N 0 3 197.303 1.703 20 0 ADADHN C[C@@H]1C[C@H](O)CN1Cc1ccsc1 307535725 352020829 /nfs/dbraw/zinc/02/08/29/352020829.db2.gz IFUVCXJAHNFUQZ-SCZZXKLOSA-N 0 3 197.303 1.703 20 0 ADADHN C[C@@H]1C[C@H](O)CN1Cc1ccccn1 307536640 352021154 /nfs/dbraw/zinc/02/11/54/352021154.db2.gz OEFOQZFXFVOLEK-KOLCDFICSA-N 0 3 192.262 1.037 20 0 ADADHN C[C@@H]1COCCN1CC1CCCC1 307544886 352021295 /nfs/dbraw/zinc/02/12/95/352021295.db2.gz IUJQJFCGKGCTAZ-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1Cc1ccccn1 307536644 352021443 /nfs/dbraw/zinc/02/14/43/352021443.db2.gz OEFOQZFXFVOLEK-MWLCHTKSSA-N 0 3 192.262 1.037 20 0 ADADHN FCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 307567606 352022828 /nfs/dbraw/zinc/02/28/28/352022828.db2.gz UKSMAZLPUKTAGS-AEJSXWLSSA-N 0 3 199.269 1.503 20 0 ADADHN CC(C)CN1CCn2cncc2C1 307579394 352023247 /nfs/dbraw/zinc/02/32/47/352023247.db2.gz POZJPOJWLHMCDK-UHFFFAOYSA-N 0 3 179.267 1.355 20 0 ADADHN OC[C@]1(F)CCN(C2CCCC2)C1 307607619 352025465 /nfs/dbraw/zinc/02/54/65/352025465.db2.gz BWQRGPLWPFPAQG-JTQLQIEISA-N 0 3 187.258 1.335 20 0 ADADHN OC[C@@]1(F)CCN(C2CCCC2)C1 307607620 352025507 /nfs/dbraw/zinc/02/55/07/352025507.db2.gz BWQRGPLWPFPAQG-SNVBAGLBSA-N 0 3 187.258 1.335 20 0 ADADHN C[C@@H]1CN(CCCO)CCC1(F)F 307615728 352026120 /nfs/dbraw/zinc/02/61/20/352026120.db2.gz QTCCBACFXJVPEY-MRVPVSSYSA-N 0 3 193.237 1.346 20 0 ADADHN CN[C@H](C)c1ccnc(C2CC2)n1 307641393 352028276 /nfs/dbraw/zinc/02/82/76/352028276.db2.gz IPJKTPGXPYECJR-SSDOTTSWSA-N 0 3 177.251 1.634 20 0 ADADHN CN[C@@H](C)c1ccnc(C2CC2)n1 307641394 352028362 /nfs/dbraw/zinc/02/83/62/352028362.db2.gz IPJKTPGXPYECJR-ZETCQYMHSA-N 0 3 177.251 1.634 20 0 ADADHN CC(C)CN1CCC[C@](F)(CO)C1 307692312 352032534 /nfs/dbraw/zinc/03/25/34/352032534.db2.gz RHFKUHZCSGDWBQ-SNVBAGLBSA-N 0 3 189.274 1.439 20 0 ADADHN CC(C)CN1CCC[C@@](F)(CO)C1 307692311 352032584 /nfs/dbraw/zinc/03/25/84/352032584.db2.gz RHFKUHZCSGDWBQ-JTQLQIEISA-N 0 3 189.274 1.439 20 0 ADADHN CCNCc1cc(OC)ns1 307703941 352033344 /nfs/dbraw/zinc/03/33/44/352033344.db2.gz SFKSMQGHHDIZCG-UHFFFAOYSA-N 0 3 172.253 1.261 20 0 ADADHN CC(C)=CCN(C)C1CC(O)C1 307699524 352033419 /nfs/dbraw/zinc/03/34/19/352033419.db2.gz KHRNMQDSKYEPNE-UHFFFAOYSA-N 0 3 169.268 1.408 20 0 ADADHN CC[C@@H](C)CN1CCOC[C@H]1C 307706425 352033917 /nfs/dbraw/zinc/03/39/17/352033917.db2.gz ZTIJPONQLUQWDK-NXEZZACHSA-N 0 3 171.284 1.753 20 0 ADADHN CC(=O)CN1CC[C@@H](CC(C)C)C1 307803655 352039340 /nfs/dbraw/zinc/03/93/40/352039340.db2.gz ZWCJCBCVHJUNPV-NSHDSACASA-N 0 3 183.295 1.943 20 0 ADADHN CC(C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 307828710 352039403 /nfs/dbraw/zinc/03/94/03/352039403.db2.gz DZZXRAHQFSVSED-UWVGGRQHSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1ccno1 307757197 352039556 /nfs/dbraw/zinc/03/95/56/352039556.db2.gz KGVHZVQIKPLOPS-BDAKNGLRSA-N 0 3 180.251 1.905 20 0 ADADHN C[C@H]1CCN(Cc2ccno2)[C@H]1C 307757199 352039576 /nfs/dbraw/zinc/03/95/76/352039576.db2.gz KGVHZVQIKPLOPS-IUCAKERBSA-N 0 3 180.251 1.905 20 0 ADADHN C[C@@H]1COCCN1CC1CC1 307760855 352039603 /nfs/dbraw/zinc/03/96/03/352039603.db2.gz XGZOCMUHHRIOFB-MRVPVSSYSA-N 0 3 155.241 1.117 20 0 ADADHN CC(=O)CN1CC[C@H](CC(C)C)C1 307803654 352039685 /nfs/dbraw/zinc/03/96/85/352039685.db2.gz ZWCJCBCVHJUNPV-LLVKDONJSA-N 0 3 183.295 1.943 20 0 ADADHN CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 307828712 352039721 /nfs/dbraw/zinc/03/97/21/352039721.db2.gz DZZXRAHQFSVSED-ZJUUUORDSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 307828711 352039750 /nfs/dbraw/zinc/03/97/50/352039750.db2.gz DZZXRAHQFSVSED-VHSXEESVSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H]1CCN(Cc2ccno2)[C@@H]1C 307757198 352039878 /nfs/dbraw/zinc/03/98/78/352039878.db2.gz KGVHZVQIKPLOPS-DTWKUNHWSA-N 0 3 180.251 1.905 20 0 ADADHN C[C@@H]1CCN(Cc2ccno2)[C@@H]1C 307757200 352039895 /nfs/dbraw/zinc/03/98/95/352039895.db2.gz KGVHZVQIKPLOPS-RKDXNWHRSA-N 0 3 180.251 1.905 20 0 ADADHN CC(C)C[C@H]1CCN(C(=O)[C@@H](C)N)C1 307828709 352039967 /nfs/dbraw/zinc/03/99/67/352039967.db2.gz DZZXRAHQFSVSED-NXEZZACHSA-N 0 3 198.310 1.228 20 0 ADADHN Cc1nnsc1CNCCCF 307971011 352041083 /nfs/dbraw/zinc/04/10/83/352041083.db2.gz XQTPHFBJSBXELN-UHFFFAOYSA-N 0 3 189.259 1.296 20 0 ADADHN CCCN(CC(C)C)C(=O)CNC 308130877 352043246 /nfs/dbraw/zinc/04/32/46/352043246.db2.gz DSUYHBJLIGZUAX-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCCN(CC(C)C)C(=O)[C@@H](C)N 308154714 352043793 /nfs/dbraw/zinc/04/37/93/352043793.db2.gz SNNCJEZEDQYAAL-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CCCN(CC(C)C)C(=O)[C@H](C)N 308154716 352044438 /nfs/dbraw/zinc/04/44/38/352044438.db2.gz SNNCJEZEDQYAAL-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN CCCN(CC)CC(=O)NC(C)C 308231437 352045879 /nfs/dbraw/zinc/04/58/79/352045879.db2.gz OUZJOBRSRZMZIB-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CCCCN(C)CC(=O)N(C)CC 308221323 352046172 /nfs/dbraw/zinc/04/61/72/352046172.db2.gz LFUJLZRUGTXLNJ-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN CCCCC(=O)NC[C@@H](C)N(C)C 308247859 352046917 /nfs/dbraw/zinc/04/69/17/352046917.db2.gz YHMNOFKYJPDQER-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CCCCC(=O)NC[C@H](C)N(C)C 308247860 352047119 /nfs/dbraw/zinc/04/71/19/352047119.db2.gz YHMNOFKYJPDQER-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN C[C@@H](C1CC1)N(C)Cc1ccno1 308250207 352047147 /nfs/dbraw/zinc/04/71/47/352047147.db2.gz HCULAAVAPWACLS-QMMMGPOBSA-N 0 3 180.251 1.905 20 0 ADADHN C[C@H](C1CC1)N(C)Cc1ccno1 308250206 352047250 /nfs/dbraw/zinc/04/72/50/352047250.db2.gz HCULAAVAPWACLS-MRVPVSSYSA-N 0 3 180.251 1.905 20 0 ADADHN O[C@@H](Cc1ccccc1)CN1CCC1 308338523 352049343 /nfs/dbraw/zinc/04/93/43/352049343.db2.gz UUNRPNRMBDKPON-LBPRGKRZSA-N 0 3 191.274 1.296 20 0 ADADHN O[C@H](Cc1ccccc1)CN1CCC1 308338521 352049528 /nfs/dbraw/zinc/04/95/28/352049528.db2.gz UUNRPNRMBDKPON-GFCCVEGCSA-N 0 3 191.274 1.296 20 0 ADADHN CCN(CC(=O)N(C)C)CC(C)C 308385257 352050001 /nfs/dbraw/zinc/05/00/01/352050001.db2.gz WMVGJBRQRVMZMG-UHFFFAOYSA-N 0 3 186.299 1.053 20 0 ADADHN CCC[C@H](C)N(C)CC(=O)N(C)C 308383332 352050017 /nfs/dbraw/zinc/05/00/17/352050017.db2.gz VPUVCJVCPZIYQH-VIFPVBQESA-N 0 3 186.299 1.195 20 0 ADADHN Cc1nnsc1CN[C@@H](C)C1CC1 308344297 352050040 /nfs/dbraw/zinc/05/00/40/352050040.db2.gz UABRJDZFCJEXQH-LURJTMIESA-N 0 3 197.307 1.735 20 0 ADADHN CCC[C@@H](C)N(C)CC(=O)N(C)C 308383329 352050172 /nfs/dbraw/zinc/05/01/72/352050172.db2.gz VPUVCJVCPZIYQH-SECBINFHSA-N 0 3 186.299 1.195 20 0 ADADHN Cc1nnsc1CN[C@H](C)C1CC1 308344298 352050281 /nfs/dbraw/zinc/05/02/81/352050281.db2.gz UABRJDZFCJEXQH-ZCFIWIBFSA-N 0 3 197.307 1.735 20 0 ADADHN CCNC(=O)CN(C)[C@@H](C)C(C)C 308489375 352052374 /nfs/dbraw/zinc/05/23/74/352052374.db2.gz QKHAESFEHZCORK-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CCNC(=O)CN(C)[C@H](C)C(C)C 308489374 352052387 /nfs/dbraw/zinc/05/23/87/352052387.db2.gz QKHAESFEHZCORK-SECBINFHSA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)C[C@H]1CCCCN1C(=O)CN 309154206 352054855 /nfs/dbraw/zinc/05/48/55/352054855.db2.gz XCDNFKRWZPFWSL-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)C[C@@H]1CCCCN1C(=O)CN 309154205 352054862 /nfs/dbraw/zinc/05/48/62/352054862.db2.gz XCDNFKRWZPFWSL-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C)CN1CCNC(=O)C1(C)C 334147333 352056747 /nfs/dbraw/zinc/05/67/47/352056747.db2.gz UBCMZSIRHDTDKM-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H]1CCN(Cc2cncn2C)C1 334145399 352057017 /nfs/dbraw/zinc/05/70/17/352057017.db2.gz YFPPUGDHQLOGLL-SECBINFHSA-N 0 3 179.267 1.262 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2ccn(C)n2)C1 334149827 352057092 /nfs/dbraw/zinc/05/70/92/352057092.db2.gz IYBCHMUWICWBIT-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1ccn(C)n1 334186787 352057568 /nfs/dbraw/zinc/05/75/68/352057568.db2.gz HBGGQLOEWGJPQZ-NXEZZACHSA-N 0 3 193.294 1.793 20 0 ADADHN OCCN1CCC=C(c2ccco2)C1 334189469 352058491 /nfs/dbraw/zinc/05/84/91/352058491.db2.gz IVBFKISKGJUIPR-UHFFFAOYSA-N 0 3 193.246 1.361 20 0 ADADHN c1c[nH]c([C@H]2CCCN2CC2CC2)n1 334231579 352059250 /nfs/dbraw/zinc/05/92/50/352059250.db2.gz LNZDSGIILNGVOF-SNVBAGLBSA-N 0 3 191.278 1.957 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(Cc2cn[nH]n2)C1 334245516 352059375 /nfs/dbraw/zinc/05/93/75/352059375.db2.gz RWKGKEAPQAWBHN-RKDXNWHRSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(Cc2c[nH]nn2)C1 334245516 352059382 /nfs/dbraw/zinc/05/93/82/352059382.db2.gz RWKGKEAPQAWBHN-RKDXNWHRSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@@H]1CC[C@@H](N(C)CC(=O)N(C)C)C1 334268444 352061466 /nfs/dbraw/zinc/06/14/66/352061466.db2.gz CAHXLLKCQQOPPE-NXEZZACHSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H]1CN(CC(=O)N(C)C)CC[C@H]1C 334277713 352061508 /nfs/dbraw/zinc/06/15/08/352061508.db2.gz TTYZYUINEAXEHU-NXEZZACHSA-N 0 3 198.310 1.053 20 0 ADADHN C[C@@H]1CN(CC2CC2)[C@H](C)CO1 334272231 352061675 /nfs/dbraw/zinc/06/16/75/352061675.db2.gz WUNXRJFFEHCXMK-RKDXNWHRSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@@H]1OCCN(CC2CC2)[C@H]1C 334272781 352061803 /nfs/dbraw/zinc/06/18/03/352061803.db2.gz XWIHJCWFXDHQMH-IUCAKERBSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@@H]1CC[C@H](N(C)CC(=O)N(C)C)C1 334268448 352061830 /nfs/dbraw/zinc/06/18/30/352061830.db2.gz CAHXLLKCQQOPPE-ZJUUUORDSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H]1OCCN(CC2CC2)[C@@H]1C 334272777 352061860 /nfs/dbraw/zinc/06/18/60/352061860.db2.gz XWIHJCWFXDHQMH-BDAKNGLRSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@@H]1CN(C[C@@H]2CCCOC2)CCO1 334267710 352061971 /nfs/dbraw/zinc/06/19/71/352061971.db2.gz ZXLTWIDLPVHRLF-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H]1COCCN(C[C@H]2CCCO2)C1 334273384 352062004 /nfs/dbraw/zinc/06/20/04/352062004.db2.gz ZAGIJQLMXUPHJX-WDEREUQCSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1C 334277717 352062071 /nfs/dbraw/zinc/06/20/71/352062071.db2.gz TTYZYUINEAXEHU-ZJUUUORDSA-N 0 3 198.310 1.053 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(Cc2cc[nH]n2)C1 334268385 352062099 /nfs/dbraw/zinc/06/20/99/352062099.db2.gz BZHFTGRRCXKTMN-NXEZZACHSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@@H]1CN(C[C@H]2CCCOC2)CCO1 334267708 352062149 /nfs/dbraw/zinc/06/21/49/352062149.db2.gz ZXLTWIDLPVHRLF-GHMZBOCLSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H]1COCCN(C[C@@H]2CCCO2)C1 334273381 352062175 /nfs/dbraw/zinc/06/21/75/352062175.db2.gz ZAGIJQLMXUPHJX-QWRGUYRKSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H]1CCCN(CC(=O)N(C)C)CC1 334270939 352062259 /nfs/dbraw/zinc/06/22/59/352062259.db2.gz GFMAUZZEOBVPOQ-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1cncn1C 334304130 352062437 /nfs/dbraw/zinc/06/24/37/352062437.db2.gz BXOCEULBXLDJLT-NXEZZACHSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@@H]1CC[C@H](CN(C)C2CC2)O1 334309413 352063761 /nfs/dbraw/zinc/06/37/61/352063761.db2.gz MQFQVOJLDRLHQA-PSASIEDQSA-N 0 3 169.268 1.648 20 0 ADADHN C[C@@H]1CCN(Cc2ccn(C)n2)[C@@H]1C 334313753 352063824 /nfs/dbraw/zinc/06/38/24/352063824.db2.gz YMQJFBVEJPPYAV-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1CN(Cc2ccn(C)n2)C[C@@H]1C 334313033 352064108 /nfs/dbraw/zinc/06/41/08/352064108.db2.gz VCEKTYLEBCXSAH-AOOOYVTPSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1CC[C@@H](CN(C)C2CC2)O1 334309414 352064243 /nfs/dbraw/zinc/06/42/43/352064243.db2.gz MQFQVOJLDRLHQA-SCZZXKLOSA-N 0 3 169.268 1.648 20 0 ADADHN C[C@@H]1CN(Cc2cnc[nH]2)CCCO1 334318315 352064330 /nfs/dbraw/zinc/06/43/30/352064330.db2.gz RYNNBTKLSSDWNK-SECBINFHSA-N 0 3 195.266 1.021 20 0 ADADHN CC[C@@H](C)CN1CCOC[C@@H]1C 334313913 352064483 /nfs/dbraw/zinc/06/44/83/352064483.db2.gz ZTIJPONQLUQWDK-ZJUUUORDSA-N 0 3 171.284 1.753 20 0 ADADHN C[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1C 334313035 352064551 /nfs/dbraw/zinc/06/45/51/352064551.db2.gz VCEKTYLEBCXSAH-NXEZZACHSA-N 0 3 193.294 1.508 20 0 ADADHN CC(C)CCN1CCc2n[nH]cc2C1 334337421 352065035 /nfs/dbraw/zinc/06/50/35/352065035.db2.gz VSGRSYYRNWYZSQ-UHFFFAOYSA-N 0 3 193.294 1.814 20 0 ADADHN CC(C)=CCN1CCc2n[nH]cc2C1 334357987 352066309 /nfs/dbraw/zinc/06/63/09/352066309.db2.gz RLBKICHGMMDTDV-UHFFFAOYSA-N 0 3 191.278 1.734 20 0 ADADHN C[C@@H]1CCN(Cc2cnnn2C)[C@@H]1C 334369262 352066391 /nfs/dbraw/zinc/06/63/91/352066391.db2.gz UDTBKFZOEKPCOP-RKDXNWHRSA-N 0 3 194.282 1.045 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1ccnn1C 334352470 352066484 /nfs/dbraw/zinc/06/64/84/352066484.db2.gz HGKSIDWGGOXMQK-NXEZZACHSA-N 0 3 193.294 1.793 20 0 ADADHN CC[C@@H](C)CN1CC(=O)NCC1(C)C 334389027 352067040 /nfs/dbraw/zinc/06/70/40/352067040.db2.gz RHUFELIDGYKYDL-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H](c1cccnc1)N1CC[C@@H](O)C1 334409931 352068181 /nfs/dbraw/zinc/06/81/81/352068181.db2.gz MIFFYFVYDLXXCE-GXSJLCMTSA-N 0 3 192.262 1.209 20 0 ADADHN C[C@H](C(N)=O)N1CC[C@@]2(CCOC2)C1 334435662 352069669 /nfs/dbraw/zinc/06/96/69/352069669.db2.gz ZMERUQXXNGUIAB-PSASIEDQSA-N 0 3 198.266 1.023 20 0 ADADHN Cc1ncc(CN2CC[C@H](C)C2)cn1 334436003 352069713 /nfs/dbraw/zinc/06/97/13/352069713.db2.gz GHXXPRYZFBNXHC-VIFPVBQESA-N 0 3 191.278 1.627 20 0 ADADHN CN(Cc1ccnn1C)C1CCCC1 334436498 352069726 /nfs/dbraw/zinc/06/97/26/352069726.db2.gz QATGLXLYZNWDJC-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN C[C@H](C(N)=O)N1CC[C@]2(CCOC2)C1 334435666 352069825 /nfs/dbraw/zinc/06/98/25/352069825.db2.gz ZMERUQXXNGUIAB-SCZZXKLOSA-N 0 3 198.266 1.023 20 0 ADADHN Cc1ncc(CN2CC[C@@H](C)C2)cn1 334436002 352070161 /nfs/dbraw/zinc/07/01/61/352070161.db2.gz GHXXPRYZFBNXHC-SECBINFHSA-N 0 3 191.278 1.627 20 0 ADADHN C[C@H](c1cccnc1)N1CC[C@H](O)C1 334453808 352070644 /nfs/dbraw/zinc/07/06/44/352070644.db2.gz MIFFYFVYDLXXCE-KOLCDFICSA-N 0 3 192.262 1.209 20 0 ADADHN CN(C)C(=O)CN1CCCC(C)(C)C1 334450107 352070938 /nfs/dbraw/zinc/07/09/38/352070938.db2.gz RGIAKAYYTILYNW-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@@H](c1cccnc1)N1CC[C@H](O)C1 334453810 352071088 /nfs/dbraw/zinc/07/10/88/352071088.db2.gz MIFFYFVYDLXXCE-ONGXEEELSA-N 0 3 192.262 1.209 20 0 ADADHN C[C@@H]1CN(CC2CC2)C[C@@H](C(N)=O)O1 334465446 352071859 /nfs/dbraw/zinc/07/18/59/352071859.db2.gz UIHUXKVZNGANHZ-APPZFPTMSA-N 0 3 198.266 1.021 20 0 ADADHN C[C@@H]1CN(CC2CC2)C[C@H](C(N)=O)O1 334465447 352072124 /nfs/dbraw/zinc/07/21/24/352072124.db2.gz UIHUXKVZNGANHZ-VXNVDRBHSA-N 0 3 198.266 1.021 20 0 ADADHN C[C@@H]1CCCN(Cc2cnccn2)C1 334555294 352074725 /nfs/dbraw/zinc/07/47/25/352074725.db2.gz UMCLQGPVKRHZHY-SNVBAGLBSA-N 0 3 191.278 1.709 20 0 ADADHN C[C@@H]1CCCCN1Cc1cnccn1 334556734 352074799 /nfs/dbraw/zinc/07/47/99/352074799.db2.gz UNNBQWHSCHYMJO-SNVBAGLBSA-N 0 3 191.278 1.851 20 0 ADADHN c1cnc(CN2CCCCCC2)cn1 334552709 352074863 /nfs/dbraw/zinc/07/48/63/352074863.db2.gz HTFRIDIIEHGLFB-UHFFFAOYSA-N 0 3 191.278 1.853 20 0 ADADHN c1cc2c(nc1CNC1CC1)CCC2 334567888 352075582 /nfs/dbraw/zinc/07/55/82/352075582.db2.gz WNYIIGJCWQFVJN-UHFFFAOYSA-N 0 3 188.274 1.822 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCOC2(CCC2)C1 334569427 352075675 /nfs/dbraw/zinc/07/56/75/352075675.db2.gz PLORLQPVRDWSBE-GHMZBOCLSA-N 0 3 195.306 1.897 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCOC2(CCC2)C1 334569429 352075788 /nfs/dbraw/zinc/07/57/88/352075788.db2.gz PLORLQPVRDWSBE-MNOVXSKESA-N 0 3 195.306 1.897 20 0 ADADHN C[C@@H]1CCN(Cc2cnccn2)[C@@H]1C 334581669 352075945 /nfs/dbraw/zinc/07/59/45/352075945.db2.gz MSKPLSGUUCZRGC-NXEZZACHSA-N 0 3 191.278 1.707 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1cnccn1 334565772 352076078 /nfs/dbraw/zinc/07/60/78/352076078.db2.gz RXDIYENZKLOONG-NXEZZACHSA-N 0 3 191.278 1.849 20 0 ADADHN C[C@@H]1CN(CCO)[C@H]1c1ccccc1 334615081 352076427 /nfs/dbraw/zinc/07/64/27/352076427.db2.gz RVBJYWLHYULMFS-ZYHUDNBSSA-N 0 3 191.274 1.672 20 0 ADADHN C[C@@H]1CN(CCO)[C@@H]1c1ccccc1 334615080 352076485 /nfs/dbraw/zinc/07/64/85/352076485.db2.gz RVBJYWLHYULMFS-PWSUYJOCSA-N 0 3 191.274 1.672 20 0 ADADHN O[C@H]1C[C@@H](NCc2ccccc2F)C1 334619641 352076512 /nfs/dbraw/zinc/07/65/12/352076512.db2.gz JUGXOBVLSQXCGE-AOOOYVTPSA-N 0 3 195.237 1.439 20 0 ADADHN O[C@H]1C[C@@H](NCc2ccccc2)C1 334619714 352076677 /nfs/dbraw/zinc/07/66/77/352076677.db2.gz KPEYOJIYFRKEBN-PHIMTYICSA-N 0 3 177.247 1.300 20 0 ADADHN O[C@H]1C[C@@H](NCc2cccs2)C1 334621461 352077141 /nfs/dbraw/zinc/07/71/41/352077141.db2.gz RKFAWRBCXSQVEC-OCAPTIKFSA-N 0 3 183.276 1.361 20 0 ADADHN O[C@H]1C[C@@H](NCc2cccc(F)c2)C1 334622448 352077210 /nfs/dbraw/zinc/07/72/10/352077210.db2.gz WTAPREWZPUOTJL-PHIMTYICSA-N 0 3 195.237 1.439 20 0 ADADHN O[C@H]1C[C@@H](NCc2ccsc2)C1 334622943 352077368 /nfs/dbraw/zinc/07/73/68/352077368.db2.gz ZXZDQZYXMDBGEX-DTORHVGOSA-N 0 3 183.276 1.361 20 0 ADADHN O[C@H]1C[C@@H](NCc2ccc(F)cc2)C1 334622511 352077397 /nfs/dbraw/zinc/07/73/97/352077397.db2.gz XVTQUZRINPHHTE-PHIMTYICSA-N 0 3 195.237 1.439 20 0 ADADHN C[C@@H]1CCN(Cc2cn[nH]n2)[C@@H]1C 334654734 352078333 /nfs/dbraw/zinc/07/83/33/352078333.db2.gz PDWOQAPHABVPIU-HTQZYQBOSA-N 0 3 180.255 1.035 20 0 ADADHN C[C@@H]1CCCN1Cc1cnccn1 334706712 352080778 /nfs/dbraw/zinc/08/07/78/352080778.db2.gz VDQOVLRYUIIICC-SECBINFHSA-N 0 3 177.251 1.461 20 0 ADADHN C[C@@H]1CCCN(Cc2cn[nH]n2)CC1 334792698 352081967 /nfs/dbraw/zinc/08/19/67/352081967.db2.gz IWYSXXMQGGCELU-SECBINFHSA-N 0 3 194.282 1.427 20 0 ADADHN C[C@@H]1CCCN(Cc2c[nH]nn2)CC1 334792698 352081971 /nfs/dbraw/zinc/08/19/71/352081971.db2.gz IWYSXXMQGGCELU-SECBINFHSA-N 0 3 194.282 1.427 20 0 ADADHN C[C@@H]1CCC[C@@H](C)N1CC(=O)N(C)C 334781216 352082213 /nfs/dbraw/zinc/08/22/13/352082213.db2.gz NLSXCVCVEGNSAA-NXEZZACHSA-N 0 3 198.310 1.338 20 0 ADADHN c1ncc(CCN2CCCC2)s1 334809448 352083321 /nfs/dbraw/zinc/08/33/21/352083321.db2.gz YLUPLTMAPCTCGZ-UHFFFAOYSA-N 0 3 182.292 1.781 20 0 ADADHN CC(C)=CCN1CCN(C)CC1(C)C 334870303 352084439 /nfs/dbraw/zinc/08/44/39/352084439.db2.gz PUNSGENMJIYWIV-UHFFFAOYSA-N 0 3 196.338 1.979 20 0 ADADHN C[C@@H]1CCCN(Cc2ccnn2C)C1 334975444 352086980 /nfs/dbraw/zinc/08/69/80/352086980.db2.gz DPUVHOHXABQJLJ-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN C[C@@H]1CCCCN(CC(=O)N(C)C)C1 334979906 352087150 /nfs/dbraw/zinc/08/71/50/352087150.db2.gz WOCYSKXECWGLKI-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@@H]1OCCN(CCC2CC2)[C@H]1C 335026142 352087673 /nfs/dbraw/zinc/08/76/73/352087673.db2.gz KSDKOERBCOIGTL-UWVGGRQHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1OCCN(CCC2CC2)[C@@H]1C 335026152 352087980 /nfs/dbraw/zinc/08/79/80/352087980.db2.gz KSDKOERBCOIGTL-ZJUUUORDSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1CCCCN(C(=O)C2(N)CC2)C1 335030984 352088010 /nfs/dbraw/zinc/08/80/10/352088010.db2.gz VHXUGUJWLIZPRE-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@@H]1CCN(CC(=O)N(C)C)[C@H](C)C1 335091568 352088927 /nfs/dbraw/zinc/08/89/27/352088927.db2.gz CRNRGEPLEGHLFD-NXEZZACHSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H]1COC[C@@H](C)N1CCC1CC1 335085029 352089055 /nfs/dbraw/zinc/08/90/55/352089055.db2.gz PKJSCAWKIZGEFF-NXEZZACHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1CN(Cc2ccnn2C)C[C@@H]1C 335181093 352089860 /nfs/dbraw/zinc/08/98/60/352089860.db2.gz YOFYWRNQFFREBG-AOOOYVTPSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1CN(Cc2ccnn2C)C[C@H]1C 335181094 352090771 /nfs/dbraw/zinc/09/07/71/352090771.db2.gz YOFYWRNQFFREBG-NXEZZACHSA-N 0 3 193.294 1.508 20 0 ADADHN c1nc(CN2CC[C@H](C3CC3)C2)c[nH]1 335207100 352091163 /nfs/dbraw/zinc/09/11/63/352091163.db2.gz RIPAHCGHLOXCRO-JTQLQIEISA-N 0 3 191.278 1.642 20 0 ADADHN CN(C[C@@H]1COCCO1)[C@H]1CC1(C)C 335198094 352091189 /nfs/dbraw/zinc/09/11/89/352091189.db2.gz VHCFIZCRDAOSCK-ZJUUUORDSA-N 0 3 199.294 1.132 20 0 ADADHN CN(C[C@@H]1COCCO1)[C@@H]1CC1(C)C 335198091 352091248 /nfs/dbraw/zinc/09/12/48/352091248.db2.gz VHCFIZCRDAOSCK-NXEZZACHSA-N 0 3 199.294 1.132 20 0 ADADHN c1nc(CN2CC[C@@H](C3CC3)C2)c[nH]1 335207101 352091319 /nfs/dbraw/zinc/09/13/19/352091319.db2.gz RIPAHCGHLOXCRO-SNVBAGLBSA-N 0 3 191.278 1.642 20 0 ADADHN CN(C[C@H]1COCCO1)[C@@H]1CC1(C)C 335198093 352091508 /nfs/dbraw/zinc/09/15/08/352091508.db2.gz VHCFIZCRDAOSCK-VHSXEESVSA-N 0 3 199.294 1.132 20 0 ADADHN CN(C[C@H]1COCCO1)[C@H]1CC1(C)C 335198092 352091693 /nfs/dbraw/zinc/09/16/93/352091693.db2.gz VHCFIZCRDAOSCK-UWVGGRQHSA-N 0 3 199.294 1.132 20 0 ADADHN C[C@@H]1CCN(Cc2nccn2C)[C@@H]1C 335295096 352093644 /nfs/dbraw/zinc/09/36/44/352093644.db2.gz NOTAQZZLSIXFIK-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]1C 335295140 352093693 /nfs/dbraw/zinc/09/36/93/352093693.db2.gz SNYURFKFTWKLDP-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1CN(C[C@H]2CCCO2)CCCO1 335307422 352094018 /nfs/dbraw/zinc/09/40/18/352094018.db2.gz RMTHSBCHGNACCV-GHMZBOCLSA-N 0 3 199.294 1.276 20 0 ADADHN C[C@@H]1CN(C[C@@H]2CCCO2)CCCO1 335307424 352094066 /nfs/dbraw/zinc/09/40/66/352094066.db2.gz RMTHSBCHGNACCV-MNOVXSKESA-N 0 3 199.294 1.276 20 0 ADADHN C[C@@H]1CCN([C@H](C)c2cnccn2)C1 335327030 352094962 /nfs/dbraw/zinc/09/49/62/352094962.db2.gz OLQWGYXRIZENOF-NXEZZACHSA-N 0 3 191.278 1.879 20 0 ADADHN CC[C@@H](C)N1CCN2C(=O)CC[C@H]2C1 335330173 352095033 /nfs/dbraw/zinc/09/50/33/352095033.db2.gz WBLQBDCNRDKQDX-ZJUUUORDSA-N 0 3 196.294 1.092 20 0 ADADHN CC[C@@H](C)CN1CCN(C(C)=O)CC1 335336970 352095286 /nfs/dbraw/zinc/09/52/86/352095286.db2.gz WJRVPWJQFKLDIQ-SNVBAGLBSA-N 0 3 198.310 1.197 20 0 ADADHN CC[C@@H](C)N1CCN2C(=O)CC[C@@H]2C1 335330167 352095375 /nfs/dbraw/zinc/09/53/75/352095375.db2.gz WBLQBDCNRDKQDX-NXEZZACHSA-N 0 3 196.294 1.092 20 0 ADADHN CC[C@@H](C)N1CCN(C2CCC2)CC1 335357671 352096044 /nfs/dbraw/zinc/09/60/44/352096044.db2.gz NFYMNCGUSKTOBH-LLVKDONJSA-N 0 3 196.338 1.955 20 0 ADADHN CC[C@@H](C(=O)N1CCC[C@H]1C)N(C)C 335370307 352096068 /nfs/dbraw/zinc/09/60/68/352096068.db2.gz SYMQGNRPRWJSNG-ZJUUUORDSA-N 0 3 198.310 1.338 20 0 ADADHN CC[C@@H](C(=O)N1CCC[C@@H]1C)N(C)C 335370305 352096087 /nfs/dbraw/zinc/09/60/87/352096087.db2.gz SYMQGNRPRWJSNG-UWVGGRQHSA-N 0 3 198.310 1.338 20 0 ADADHN CC(C)CN1CCOC[C@@H]1C 335390598 352096695 /nfs/dbraw/zinc/09/66/95/352096695.db2.gz BGXABNWLAGPLMH-VIFPVBQESA-N 0 3 157.257 1.363 20 0 ADADHN C[C@@H]1C[C@H](NCc2ccncc2)CO1 335426012 352097338 /nfs/dbraw/zinc/09/73/38/352097338.db2.gz PBKFETJHJBVVJR-KOLCDFICSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@H]1C[C@@H](NCc2ccncc2)CO1 335426013 352097385 /nfs/dbraw/zinc/09/73/85/352097385.db2.gz PBKFETJHJBVVJR-MWLCHTKSSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@H]1C[C@H](NCc2cccnc2)CO1 335423502 352097563 /nfs/dbraw/zinc/09/75/63/352097563.db2.gz ALAGTDQAEQKIFD-KOLCDFICSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@H]1C[C@@H](NCc2cccnc2)CO1 335423503 352097712 /nfs/dbraw/zinc/09/77/12/352097712.db2.gz ALAGTDQAEQKIFD-MWLCHTKSSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@H]1C[C@H](NCc2ccccc2)CO1 335426087 352098037 /nfs/dbraw/zinc/09/80/37/352098037.db2.gz QFVFMECGAOTJSF-PWSUYJOCSA-N 0 3 191.274 1.954 20 0 ADADHN C[C@@H]1C[C@@H](NCc2ccccn2)CO1 335426564 352098090 /nfs/dbraw/zinc/09/80/90/352098090.db2.gz YLJBWRWGTJBOSH-MWLCHTKSSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@H]1C[C@H](NCc2cncs2)CO1 335426603 352098101 /nfs/dbraw/zinc/09/81/01/352098101.db2.gz ZEGJGXDEVSQLKM-SFYZADRCSA-N 0 3 198.291 1.410 20 0 ADADHN C[C@@H]1C[C@H](NCc2ccccn2)CO1 335426563 352098198 /nfs/dbraw/zinc/09/81/98/352098198.db2.gz YLJBWRWGTJBOSH-KOLCDFICSA-N 0 3 192.262 1.349 20 0 ADADHN C[C@@H]1C[C@@H](NCc2ccccc2)CO1 335426089 352098283 /nfs/dbraw/zinc/09/82/83/352098283.db2.gz QFVFMECGAOTJSF-ZYHUDNBSSA-N 0 3 191.274 1.954 20 0 ADADHN C[C@@H]1CN(CCCO)CC2(CCC2)O1 335461096 352099037 /nfs/dbraw/zinc/09/90/37/352099037.db2.gz DSXTXKWDFCDNQE-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@H](O)CN1C[C@@H](C)OC2(CCC2)C1 335465082 352099649 /nfs/dbraw/zinc/09/96/49/352099649.db2.gz SEKMYKZJBGHHCV-VHSXEESVSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H](O)CN1C[C@H](C)OC2(CCC2)C1 335465081 352099742 /nfs/dbraw/zinc/09/97/42/352099742.db2.gz SEKMYKZJBGHHCV-UWVGGRQHSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H]1CN(C[C@@H](C)O)CC2(CCC2)O1 335465083 352099841 /nfs/dbraw/zinc/09/98/41/352099841.db2.gz SEKMYKZJBGHHCV-ZJUUUORDSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H]1CN(CC2CC2)CC(C)(C)O1 335521057 352101737 /nfs/dbraw/zinc/10/17/37/352101737.db2.gz APRHHEZQWLOJFT-SECBINFHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1CN(CCC2CC2)[C@H](C)CO1 335532077 352102217 /nfs/dbraw/zinc/10/22/17/352102217.db2.gz XVRVBDFREMPWSN-NXEZZACHSA-N 0 3 183.295 1.896 20 0 ADADHN CC(C)=CCN1CCN(C)[C@H](C)[C@H]1C 335571586 352104023 /nfs/dbraw/zinc/10/40/23/352104023.db2.gz VXWUSNSLAHLRIN-VXGBXAGGSA-N 0 3 196.338 1.977 20 0 ADADHN CC(C)=CCN1CCN(C)[C@@H](C)[C@H]1C 335571582 352104232 /nfs/dbraw/zinc/10/42/32/352104232.db2.gz VXWUSNSLAHLRIN-NWDGAFQWSA-N 0 3 196.338 1.977 20 0 ADADHN CC(C)=CCN1CCN(C)[C@@H](C)[C@@H]1C 335571584 352104354 /nfs/dbraw/zinc/10/43/54/352104354.db2.gz VXWUSNSLAHLRIN-RYUDHWBXSA-N 0 3 196.338 1.977 20 0 ADADHN CC(C)=CCN1CCN(C)[C@H](C)[C@@H]1C 335571581 352104430 /nfs/dbraw/zinc/10/44/30/352104430.db2.gz VXWUSNSLAHLRIN-NEPJUHHUSA-N 0 3 196.338 1.977 20 0 ADADHN CC(C)CN1CCOCC1(C)C 335585846 352105334 /nfs/dbraw/zinc/10/53/34/352105334.db2.gz SUMQIWAQQQNGEP-UHFFFAOYSA-N 0 3 171.284 1.753 20 0 ADADHN CC(C)C[C@@H]1CCCN(C(=O)CN)C1 335604341 352105860 /nfs/dbraw/zinc/10/58/60/352105860.db2.gz XQYKLJDYOKBLNU-JTQLQIEISA-N 0 3 198.310 1.230 20 0 ADADHN CC(C)C[C@H]1CCCN1C(=O)[C@H](C)N 335604057 352105879 /nfs/dbraw/zinc/10/58/79/352105879.db2.gz JYBHJTMNPBVPDQ-VHSXEESVSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](C)[C@H]1CCCCN1C(=O)CN 335604863 352106165 /nfs/dbraw/zinc/10/61/65/352106165.db2.gz ZARGMWWSJCLMTR-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)C[C@@H]1CCCN1C(=O)[C@@H](C)N 335604058 352106188 /nfs/dbraw/zinc/10/61/88/352106188.db2.gz JYBHJTMNPBVPDQ-ZJUUUORDSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)C[C@H]1CCCN1C(=O)[C@@H](C)N 335604055 352106260 /nfs/dbraw/zinc/10/62/60/352106260.db2.gz JYBHJTMNPBVPDQ-NXEZZACHSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)C[C@H]1CCCN(C(=O)CN)C1 335604343 352106325 /nfs/dbraw/zinc/10/63/25/352106325.db2.gz XQYKLJDYOKBLNU-SNVBAGLBSA-N 0 3 198.310 1.230 20 0 ADADHN CC(C)C[C@@H]1CCCN1C(=O)[C@H](C)N 335604056 352106426 /nfs/dbraw/zinc/10/64/26/352106426.db2.gz JYBHJTMNPBVPDQ-UWVGGRQHSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](C)[C@@H]1CCCCN1C(=O)CN 335604866 352106442 /nfs/dbraw/zinc/10/64/42/352106442.db2.gz ZARGMWWSJCLMTR-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CN1CCN(C)C(=O)C1(C)C 335642470 352107255 /nfs/dbraw/zinc/10/72/55/352107255.db2.gz MRDWONUHWRMFJZ-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H]1C[C@@H](NCc2cccn2C)CO1 335664345 352108346 /nfs/dbraw/zinc/10/83/46/352108346.db2.gz RCZMOJUGPBRLAC-NXEZZACHSA-N 0 3 194.278 1.292 20 0 ADADHN C[C@@H]1C[C@H](NCc2cc[nH]c2)CO1 335664276 352108372 /nfs/dbraw/zinc/10/83/72/352108372.db2.gz PFQGTGJUBDLTSQ-SCZZXKLOSA-N 0 3 180.251 1.282 20 0 ADADHN C[C@@H]1C[C@H](NCc2cccn2C)CO1 335664348 352108452 /nfs/dbraw/zinc/10/84/52/352108452.db2.gz RCZMOJUGPBRLAC-ZJUUUORDSA-N 0 3 194.278 1.292 20 0 ADADHN C[C@@H]1C[C@@H](NCc2cc[nH]c2)CO1 335664275 352108526 /nfs/dbraw/zinc/10/85/26/352108526.db2.gz PFQGTGJUBDLTSQ-PSASIEDQSA-N 0 3 180.251 1.282 20 0 ADADHN c1nc(CN2CC[C@@H]3CCC[C@H]32)c[nH]1 335694707 352108945 /nfs/dbraw/zinc/10/89/45/352108945.db2.gz YXOFXOCJJMGSJX-GXSJLCMTSA-N 0 3 191.278 1.784 20 0 ADADHN c1nc(CN2CC[C@@H]3CCC[C@@H]32)c[nH]1 335694710 352109024 /nfs/dbraw/zinc/10/90/24/352109024.db2.gz YXOFXOCJJMGSJX-ONGXEEELSA-N 0 3 191.278 1.784 20 0 ADADHN c1nc(CN2CC[C@H]3CCC[C@H]32)c[nH]1 335694709 352109423 /nfs/dbraw/zinc/10/94/23/352109423.db2.gz YXOFXOCJJMGSJX-MWLCHTKSSA-N 0 3 191.278 1.784 20 0 ADADHN c1nc(CN2CC[C@H]3CCC[C@@H]32)c[nH]1 335694708 352109434 /nfs/dbraw/zinc/10/94/34/352109434.db2.gz YXOFXOCJJMGSJX-KOLCDFICSA-N 0 3 191.278 1.784 20 0 ADADHN C[C@@H]1CCN(Cc2ccnn2C)[C@@H]1C 335723447 352110537 /nfs/dbraw/zinc/11/05/37/352110537.db2.gz YWYMMWOQQZTMRC-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1CCCN1CC(=O)N1CCCC1 335739321 352110585 /nfs/dbraw/zinc/11/05/85/352110585.db2.gz PTXDFFXGLHXHDS-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN c1cc(CN2C[C@@H]3CCC[C@H]3C2)n[nH]1 335729322 352110728 /nfs/dbraw/zinc/11/07/28/352110728.db2.gz LYWZNZULONHXKE-UWVGGRQHSA-N 0 3 191.278 1.642 20 0 ADADHN c1cc(CN2C[C@H]3CCC[C@H]3C2)n[nH]1 335729314 352110797 /nfs/dbraw/zinc/11/07/97/352110797.db2.gz LYWZNZULONHXKE-AOOOYVTPSA-N 0 3 191.278 1.642 20 0 ADADHN C[C@@H]1CN(CC[C@@H]2CCOC2)CCO1 335765277 352111397 /nfs/dbraw/zinc/11/13/97/352111397.db2.gz OHDMMQMCDQPQMW-GHMZBOCLSA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H]1CN(CC[C@H]2CCOC2)CCO1 335765278 352111474 /nfs/dbraw/zinc/11/14/74/352111474.db2.gz OHDMMQMCDQPQMW-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H]1COCCN1C[C@H]1CCCOC1 335748077 352111726 /nfs/dbraw/zinc/11/17/26/352111726.db2.gz JGXFVJIMSYFAKC-GHMZBOCLSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@@H](C(=O)N1CCCCC1)N(C)C 335767171 352112325 /nfs/dbraw/zinc/11/23/25/352112325.db2.gz YMDLRXGEUSHYIS-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN C[C@@H]1CN(Cc2ccco2)C[C@H]1CO 335781553 352112780 /nfs/dbraw/zinc/11/27/80/352112780.db2.gz GKUNSQUTNGELAS-ZJUUUORDSA-N 0 3 195.262 1.340 20 0 ADADHN C[C@@H]1CN(CC2CC2)C[C@H](C2CC2)O1 335807399 352113366 /nfs/dbraw/zinc/11/33/66/352113366.db2.gz DHSUFENFEHWUEJ-BXKDBHETSA-N 0 3 195.306 1.896 20 0 ADADHN C[C@@H]1CN(CC2CC2)C[C@@H](C2CC2)O1 335807402 352113421 /nfs/dbraw/zinc/11/34/21/352113421.db2.gz DHSUFENFEHWUEJ-SKDRFNHKSA-N 0 3 195.306 1.896 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC1 335800185 352113797 /nfs/dbraw/zinc/11/37/97/352113797.db2.gz JVACQUUZZJTRQX-RKDXNWHRSA-N 0 3 196.294 1.138 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1cnnn1C 335846117 352115724 /nfs/dbraw/zinc/11/57/24/352115724.db2.gz ALAAGAKRLKLDPN-RKDXNWHRSA-N 0 3 194.282 1.188 20 0 ADADHN C[C@@H]1COCCN1CC[C@H]1CCOC1 335861946 352116457 /nfs/dbraw/zinc/11/64/57/352116457.db2.gz ULOSLPQOSJFRCT-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H]1COCCN1CC[C@@H]1CCOC1 335861945 352116875 /nfs/dbraw/zinc/11/68/75/352116875.db2.gz ULOSLPQOSJFRCT-GHMZBOCLSA-N 0 3 199.294 1.134 20 0 ADADHN CC(C)=CCN1CCN(C(C)C)CC1 335919378 352118755 /nfs/dbraw/zinc/11/87/55/352118755.db2.gz SRBSEQGEUQDQQG-UHFFFAOYSA-N 0 3 196.338 1.979 20 0 ADADHN C[C@@H]1CCCCN1CC(=O)N1CCC1 335899467 352117897 /nfs/dbraw/zinc/11/78/97/352117897.db2.gz HSHXXCVSXGQXCB-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2ccnn2C)C1 335901126 352118178 /nfs/dbraw/zinc/11/81/78/352118178.db2.gz GWIZYBHSYZBSJB-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1CCCN(Cc2cnn(C)c2)C1 335914252 352118302 /nfs/dbraw/zinc/11/83/02/352118302.db2.gz SHPLUPHLEFBVFN-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN OCCN1CCC[C@H]1c1cccs1 335915966 352119048 /nfs/dbraw/zinc/11/90/48/352119048.db2.gz WYWFRLCMAHYDRK-VIFPVBQESA-N 0 3 197.303 1.877 20 0 ADADHN OCCN1CCC[C@@H]1c1cccs1 335915965 352119184 /nfs/dbraw/zinc/11/91/84/352119184.db2.gz WYWFRLCMAHYDRK-SECBINFHSA-N 0 3 197.303 1.877 20 0 ADADHN C[C@@H]1CN(Cc2c[nH]cn2)CC[C@H]1C 335944395 352119841 /nfs/dbraw/zinc/11/98/41/352119841.db2.gz QTAOSRVEQFWGGC-NXEZZACHSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@@H]1CN(Cc2cnc[nH]2)CC[C@H]1C 335944395 352119842 /nfs/dbraw/zinc/11/98/42/352119842.db2.gz QTAOSRVEQFWGGC-NXEZZACHSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@@H]1CCN(Cc2c[nH]cn2)C[C@@H]1C 335944398 352119918 /nfs/dbraw/zinc/11/99/18/352119918.db2.gz QTAOSRVEQFWGGC-ZJUUUORDSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@@H]1CCN(Cc2cnc[nH]2)C[C@@H]1C 335944398 352119922 /nfs/dbraw/zinc/11/99/22/352119922.db2.gz QTAOSRVEQFWGGC-ZJUUUORDSA-N 0 3 193.294 1.888 20 0 ADADHN CC1=CC[C@H](NCc2cc[nH]n2)CC1 335938757 352120035 /nfs/dbraw/zinc/12/00/35/352120035.db2.gz ULKWMYZNRGFRCU-JTQLQIEISA-N 0 3 191.278 1.998 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2cnnn2C)C1 335944479 352120075 /nfs/dbraw/zinc/12/00/75/352120075.db2.gz GRTKOLILTFIBHO-RKDXNWHRSA-N 0 3 194.282 1.045 20 0 ADADHN CC1=CC[C@@H](NCc2cc[nH]n2)CC1 335938758 352120174 /nfs/dbraw/zinc/12/01/74/352120174.db2.gz ULKWMYZNRGFRCU-SNVBAGLBSA-N 0 3 191.278 1.998 20 0 ADADHN c1nc(CN2C[C@H]3CCC[C@H]3C2)c[nH]1 335969319 352120992 /nfs/dbraw/zinc/12/09/92/352120992.db2.gz LCEBZFRSVVMQJP-AOOOYVTPSA-N 0 3 191.278 1.642 20 0 ADADHN c1nc(CN2C[C@@H]3CCC[C@H]3C2)c[nH]1 335969323 352121131 /nfs/dbraw/zinc/12/11/31/352121131.db2.gz LCEBZFRSVVMQJP-UWVGGRQHSA-N 0 3 191.278 1.642 20 0 ADADHN c1nc(CN2C[C@H]3CCC[C@@H]3C2)c[nH]1 335969321 352121164 /nfs/dbraw/zinc/12/11/64/352121164.db2.gz LCEBZFRSVVMQJP-NXEZZACHSA-N 0 3 191.278 1.642 20 0 ADADHN CC(C)CCN1CCn2cncc2C1 336009799 352122122 /nfs/dbraw/zinc/12/21/22/352122122.db2.gz HATKUZBGPMCBSS-UHFFFAOYSA-N 0 3 193.294 1.745 20 0 ADADHN CC[C@@H](C)CN1CCn2cncc2C1 336012214 352122673 /nfs/dbraw/zinc/12/26/73/352122673.db2.gz ATZJXRDFEDCOEI-SNVBAGLBSA-N 0 3 193.294 1.745 20 0 ADADHN CC(C)CN1CCN(C2CCC2)CC1 336038709 352123082 /nfs/dbraw/zinc/12/30/82/352123082.db2.gz GTUJIYUBQYIETH-UHFFFAOYSA-N 0 3 196.338 1.813 20 0 ADADHN CC(C)CCN1CCCNC(=O)[C@@H]1C 336051073 352123839 /nfs/dbraw/zinc/12/38/39/352123839.db2.gz PGDKRCOWLARMMD-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)CN1CCCNC(=O)[C@@H]1C 336053727 352123859 /nfs/dbraw/zinc/12/38/59/352123859.db2.gz JUUWXPNNZIPXMF-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN c1ncc(CN2CCCC3(CC3)C2)[nH]1 336068161 352124768 /nfs/dbraw/zinc/12/47/68/352124768.db2.gz ACFFKUBIGYOMGX-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN CN(Cc1cnn(C)c1)C(C)(C)C 336132346 352127366 /nfs/dbraw/zinc/12/73/66/352127366.db2.gz MSIJVDWQAXVFRR-UHFFFAOYSA-N 0 3 181.283 1.650 20 0 ADADHN c1n[nH]nc1CN1CC[C@@H](C2CC2)C1 336196832 352128695 /nfs/dbraw/zinc/12/86/95/352128695.db2.gz BEIAFKDSLPNOKB-SECBINFHSA-N 0 3 192.266 1.037 20 0 ADADHN c1[nH]nnc1CN1CC[C@@H](C2CC2)C1 336196832 352128696 /nfs/dbraw/zinc/12/86/96/352128696.db2.gz BEIAFKDSLPNOKB-SECBINFHSA-N 0 3 192.266 1.037 20 0 ADADHN c1n[nH]nc1CN1CC[C@H](C2CC2)C1 336196833 352128740 /nfs/dbraw/zinc/12/87/40/352128740.db2.gz BEIAFKDSLPNOKB-VIFPVBQESA-N 0 3 192.266 1.037 20 0 ADADHN c1[nH]nnc1CN1CC[C@H](C2CC2)C1 336196833 352128743 /nfs/dbraw/zinc/12/87/43/352128743.db2.gz BEIAFKDSLPNOKB-VIFPVBQESA-N 0 3 192.266 1.037 20 0 ADADHN C[C@@H]1CN(Cc2cn[nH]n2)CC[C@H]1C 336197553 352129179 /nfs/dbraw/zinc/12/91/79/352129179.db2.gz ULRSUIAPBFWZGB-RKDXNWHRSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@@H]1CN(Cc2c[nH]nn2)CC[C@H]1C 336197553 352129183 /nfs/dbraw/zinc/12/91/83/352129183.db2.gz ULRSUIAPBFWZGB-RKDXNWHRSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@@H]1CCN(Cc2cn[nH]n2)C[C@@H]1C 336197550 352129202 /nfs/dbraw/zinc/12/92/02/352129202.db2.gz ULRSUIAPBFWZGB-BDAKNGLRSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@@H]1CCN(Cc2c[nH]nn2)C[C@@H]1C 336197550 352129203 /nfs/dbraw/zinc/12/92/03/352129203.db2.gz ULRSUIAPBFWZGB-BDAKNGLRSA-N 0 3 194.282 1.283 20 0 ADADHN C[C@@H]1CCCCN(Cc2cn[nH]n2)C1 336257300 352132735 /nfs/dbraw/zinc/13/27/35/352132735.db2.gz DIVXWNOLLYQDRF-SECBINFHSA-N 0 3 194.282 1.427 20 0 ADADHN C[C@@H]1CN(Cc2cncn2C)C[C@@H]1C 336265150 352132857 /nfs/dbraw/zinc/13/28/57/352132857.db2.gz HLYGNZYCTKZCOR-AOOOYVTPSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1CN(Cc2cncn2C)C[C@H]1C 336265151 352133000 /nfs/dbraw/zinc/13/30/00/352133000.db2.gz HLYGNZYCTKZCOR-NXEZZACHSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1CCCCN(C(=O)C(C)(C)N)C1 336290177 352134398 /nfs/dbraw/zinc/13/43/98/352134398.db2.gz LFGFOGQBKUPFBB-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CN1CCO[C@H](C)[C@@H]1C 336334678 352136634 /nfs/dbraw/zinc/13/66/34/352136634.db2.gz ZXWSRLBJZHGYRF-VHSXEESVSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)CN1CCO[C@@H](C)[C@H]1C 336334679 352136595 /nfs/dbraw/zinc/13/65/95/352136595.db2.gz ZXWSRLBJZHGYRF-ZJUUUORDSA-N 0 3 171.284 1.752 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(Cc2c[nH]cn2)C1 336328278 352136695 /nfs/dbraw/zinc/13/66/95/352136695.db2.gz GPJCXBSFOAYAIE-NXEZZACHSA-N 0 3 193.294 1.888 20 0 ADADHN C[C@@H]1C[C@@H](C)CN(Cc2cnc[nH]2)C1 336328278 352136697 /nfs/dbraw/zinc/13/66/97/352136697.db2.gz GPJCXBSFOAYAIE-NXEZZACHSA-N 0 3 193.294 1.888 20 0 ADADHN CC(C)CN1CCO[C@H](C)[C@H]1C 336334676 352136749 /nfs/dbraw/zinc/13/67/49/352136749.db2.gz ZXWSRLBJZHGYRF-NXEZZACHSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)CN1C[C@@H]2CC[C@H](C1)O2 336334632 352136850 /nfs/dbraw/zinc/13/68/50/352136850.db2.gz POZZSULRBVOJQK-AOOOYVTPSA-N 0 3 169.268 1.506 20 0 ADADHN CC(C)CN1CCO[C@@H](C)[C@@H]1C 336334677 352136858 /nfs/dbraw/zinc/13/68/58/352136858.db2.gz ZXWSRLBJZHGYRF-UWVGGRQHSA-N 0 3 171.284 1.752 20 0 ADADHN OCCN1CCC[C@@H]1c1ccncc1 336344042 352137399 /nfs/dbraw/zinc/13/73/99/352137399.db2.gz YPRCJLGFXDVNNZ-LLVKDONJSA-N 0 3 192.262 1.211 20 0 ADADHN OCCN1CCC[C@H]1c1ccncc1 336344043 352137518 /nfs/dbraw/zinc/13/75/18/352137518.db2.gz YPRCJLGFXDVNNZ-NSHDSACASA-N 0 3 192.262 1.211 20 0 ADADHN C[C@@H]1CCCN(CC(=O)N(C)C)[C@@H]1C 336394782 352139718 /nfs/dbraw/zinc/13/97/18/352139718.db2.gz RKOQXQVTUYYWQV-NXEZZACHSA-N 0 3 198.310 1.195 20 0 ADADHN OCCCN1CCOC2(CCCC2)C1 336415062 352140382 /nfs/dbraw/zinc/14/03/82/352140382.db2.gz YZPDJPZFTJOFAP-UHFFFAOYSA-N 0 3 199.294 1.014 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCn2cncc2C1 336400943 352140646 /nfs/dbraw/zinc/14/06/46/352140646.db2.gz ZMFNJJGTHUMJRG-ZJUUUORDSA-N 0 3 191.278 1.355 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCn2cncc2C1 336400940 352140659 /nfs/dbraw/zinc/14/06/59/352140659.db2.gz ZMFNJJGTHUMJRG-NXEZZACHSA-N 0 3 191.278 1.355 20 0 ADADHN CC(C)=CCNC(=O)[C@H]1CCCN1C 336456421 352142271 /nfs/dbraw/zinc/14/22/71/352142271.db2.gz URFKJFZRVLQKLX-SNVBAGLBSA-N 0 3 196.294 1.163 20 0 ADADHN CC(C)=CCNC(=O)[C@@H]1CCCN1C 336456420 352142474 /nfs/dbraw/zinc/14/24/74/352142474.db2.gz URFKJFZRVLQKLX-JTQLQIEISA-N 0 3 196.294 1.163 20 0 ADADHN CC[C@@H](C(=O)N1CC[C@@H](C)C1)N(C)C 336471629 352142893 /nfs/dbraw/zinc/14/28/93/352142893.db2.gz DQRGUULSNOGCIX-ZJUUUORDSA-N 0 3 198.310 1.195 20 0 ADADHN CC[C@@H](C(=O)N1CC[C@H](C)C1)N(C)C 336471627 352142982 /nfs/dbraw/zinc/14/29/82/352142982.db2.gz DQRGUULSNOGCIX-UWVGGRQHSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)CN(C)C(=O)[C@H]1CCCN1C 336511483 352143634 /nfs/dbraw/zinc/14/36/34/352143634.db2.gz DDISFZOYTIVRPP-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H]1CC[C@@H](C)N(CC(=O)N(C)C)C1 336495822 352143697 /nfs/dbraw/zinc/14/36/97/352143697.db2.gz ZAGXSOMHUCFGFV-NXEZZACHSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)CN(C)C(=O)[C@@H]1CCCN1C 336511482 352143786 /nfs/dbraw/zinc/14/37/86/352143786.db2.gz DDISFZOYTIVRPP-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN OCCN1CC[C@@H]1c1ccccc1 336552250 352145204 /nfs/dbraw/zinc/14/52/04/352145204.db2.gz SMJXMCPSZLNWNL-LLVKDONJSA-N 0 3 177.247 1.426 20 0 ADADHN OCCN1CC[C@H]1c1ccccc1 336552251 352145218 /nfs/dbraw/zinc/14/52/18/352145218.db2.gz SMJXMCPSZLNWNL-NSHDSACASA-N 0 3 177.247 1.426 20 0 ADADHN CC(C)CN1C[C@H](C)OC[C@@H]1C 336552366 352145348 /nfs/dbraw/zinc/14/53/48/352145348.db2.gz PIYLYIWSAZACMJ-UWVGGRQHSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)CN1C[C@@H](C)OC[C@H]1C 336552365 352145450 /nfs/dbraw/zinc/14/54/50/352145450.db2.gz PIYLYIWSAZACMJ-NXEZZACHSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)CN1[C@@H](C)COC[C@H]1C 336552346 352145564 /nfs/dbraw/zinc/14/55/64/352145564.db2.gz KMICQVCEJIFVFY-AOOOYVTPSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)CN1[C@@H](C)COC[C@@H]1C 336552348 352145569 /nfs/dbraw/zinc/14/55/69/352145569.db2.gz KMICQVCEJIFVFY-UWVGGRQHSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)CN1C[C@@H](C)OC[C@@H]1C 336552367 352145609 /nfs/dbraw/zinc/14/56/09/352145609.db2.gz PIYLYIWSAZACMJ-VHSXEESVSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)CN1C[C@H](C)OC[C@H]1C 336552368 352145640 /nfs/dbraw/zinc/14/56/40/352145640.db2.gz PIYLYIWSAZACMJ-ZJUUUORDSA-N 0 3 171.284 1.752 20 0 ADADHN C[C@@H]1CCN(Cc2cnn(C)c2)C1 336553797 352146563 /nfs/dbraw/zinc/14/65/63/352146563.db2.gz AEEKOJCCTWSSHE-SECBINFHSA-N 0 3 179.267 1.262 20 0 ADADHN CC(C)CN1CCO[C@@H]2CCC[C@H]21 336553333 352146570 /nfs/dbraw/zinc/14/65/70/352146570.db2.gz KZOQPZSCTLHBBY-GHMZBOCLSA-N 0 3 183.295 1.896 20 0 ADADHN CC(C)CN1CCOCC12CCC2 336553232 352146638 /nfs/dbraw/zinc/14/66/38/352146638.db2.gz BSMBHPFULKDAPZ-UHFFFAOYSA-N 0 3 183.295 1.897 20 0 ADADHN C[C@@H]1CCCCN1Cc1cncn1C 336554849 352147751 /nfs/dbraw/zinc/14/77/51/352147751.db2.gz GCROGDAOMUTWNH-SNVBAGLBSA-N 0 3 193.294 1.795 20 0 ADADHN C[C@@H]1COC[C@@H](C)N1CC1CC1 336555737 352147994 /nfs/dbraw/zinc/14/79/94/352147994.db2.gz ISBIIQTUILKJBC-RKDXNWHRSA-N 0 3 169.268 1.506 20 0 ADADHN C[C@@H]1CN(Cc2nccn2C)C[C@@H]1C 336556175 352148109 /nfs/dbraw/zinc/14/81/09/352148109.db2.gz URVKGXIFWGZREG-AOOOYVTPSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1C 336556100 352148176 /nfs/dbraw/zinc/14/81/76/352148176.db2.gz CZWMCVRPGLZOQT-AOOOYVTPSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCOCC12CCC2 336568378 352148364 /nfs/dbraw/zinc/14/83/64/352148364.db2.gz JNWXTSXKQBUUIW-GHMZBOCLSA-N 0 3 195.306 1.897 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2cnn(C)c2)C1 336556163 352148406 /nfs/dbraw/zinc/14/84/06/352148406.db2.gz RZJPBIRJTZIWMD-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C 336556101 352148527 /nfs/dbraw/zinc/14/85/27/352148527.db2.gz CZWMCVRPGLZOQT-NXEZZACHSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1CN(Cc2nccn2C)C[C@H]1C 336556176 352148576 /nfs/dbraw/zinc/14/85/76/352148576.db2.gz URVKGXIFWGZREG-NXEZZACHSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCOCC12CCC2 336568379 352148760 /nfs/dbraw/zinc/14/87/60/352148760.db2.gz JNWXTSXKQBUUIW-MNOVXSKESA-N 0 3 195.306 1.897 20 0 ADADHN OCCN1CCC[C@H]1c1ccsc1 336612884 352150099 /nfs/dbraw/zinc/15/00/99/352150099.db2.gz TZZUSFARIRJKJW-JTQLQIEISA-N 0 3 197.303 1.877 20 0 ADADHN c1n[nH]nc1CN1C[C@H]2CCC[C@H]2C1 336575765 352149164 /nfs/dbraw/zinc/14/91/64/352149164.db2.gz YIMYJEUGKLLZNC-DTORHVGOSA-N 0 3 192.266 1.037 20 0 ADADHN c1n[nH]nc1CN1C[C@H]2CCC[C@@H]2C1 336575767 352149308 /nfs/dbraw/zinc/14/93/08/352149308.db2.gz YIMYJEUGKLLZNC-RKDXNWHRSA-N 0 3 192.266 1.037 20 0 ADADHN c1n[nH]nc1CN1C[C@@H]2CCC[C@H]2C1 336575766 352149371 /nfs/dbraw/zinc/14/93/71/352149371.db2.gz YIMYJEUGKLLZNC-IUCAKERBSA-N 0 3 192.266 1.037 20 0 ADADHN OCCN1CCC[C@@H]1c1ccsc1 336612885 352150286 /nfs/dbraw/zinc/15/02/86/352150286.db2.gz TZZUSFARIRJKJW-SNVBAGLBSA-N 0 3 197.303 1.877 20 0 ADADHN C[C@@H]1CC[C@H](CN(C)C2CC(O)C2)O1 336608712 352150370 /nfs/dbraw/zinc/15/03/70/352150370.db2.gz SIHYKJCXVQRHMP-AGVGLQIMSA-N 0 3 199.294 1.009 20 0 ADADHN C[C@@H]1CC[C@@H](CN(C)C2CC(O)C2)O1 336608715 352150429 /nfs/dbraw/zinc/15/04/29/352150429.db2.gz SIHYKJCXVQRHMP-SFXRXQKFSA-N 0 3 199.294 1.009 20 0 ADADHN C[C@@H]1CCCCN1Cc1cnn(C)c1 336594578 352150523 /nfs/dbraw/zinc/15/05/23/352150523.db2.gz UCFPGXNJEPJKNC-SNVBAGLBSA-N 0 3 193.294 1.795 20 0 ADADHN C[C@@H]1CCCN(Cc2cncn2C)C1 336594543 352150589 /nfs/dbraw/zinc/15/05/89/352150589.db2.gz AZOMLYXQQTUECD-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN OCCN1CCC[C@@H]1c1ccc[nH]1 336612901 352150677 /nfs/dbraw/zinc/15/06/77/352150677.db2.gz ZCZBZNGDDLPICZ-SNVBAGLBSA-N 0 3 180.251 1.144 20 0 ADADHN OCCN1CCC[C@H]1c1ccc[nH]1 336612900 352150703 /nfs/dbraw/zinc/15/07/03/352150703.db2.gz ZCZBZNGDDLPICZ-JTQLQIEISA-N 0 3 180.251 1.144 20 0 ADADHN C[C@@H]1CCCN1Cc1cncn1C 336631460 352151346 /nfs/dbraw/zinc/15/13/46/352151346.db2.gz VGWHVSTXRSMVOU-SECBINFHSA-N 0 3 179.267 1.404 20 0 ADADHN c1nc(CN2CCC3(CCC3)C2)c[nH]1 336629877 352151381 /nfs/dbraw/zinc/15/13/81/352151381.db2.gz AAKLETYSEFETIC-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN c1ncc(CN2CCC3(CCC3)C2)[nH]1 336629877 352151383 /nfs/dbraw/zinc/15/13/83/352151383.db2.gz AAKLETYSEFETIC-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN C[C@@H]1CCCN1Cc1cnn(C)c1 336631437 352151539 /nfs/dbraw/zinc/15/15/39/352151539.db2.gz NVGKVWIYMQEDJK-SECBINFHSA-N 0 3 179.267 1.404 20 0 ADADHN CO[C@H](C)CCNCc1ccccn1 389299236 352153694 /nfs/dbraw/zinc/15/36/94/352153694.db2.gz IJMMEPPBUPQONC-SNVBAGLBSA-N 0 3 194.278 1.596 20 0 ADADHN CO[C@@H](C)CCNCc1ccccn1 389299235 352153702 /nfs/dbraw/zinc/15/37/02/352153702.db2.gz IJMMEPPBUPQONC-JTQLQIEISA-N 0 3 194.278 1.596 20 0 ADADHN C=CC(=O)NCCN1CCC[C@@H](C)C1 521396822 352162915 /nfs/dbraw/zinc/16/29/15/352162915.db2.gz UFIGMKFFALMKQM-SNVBAGLBSA-N 0 3 196.294 1.021 20 0 ADADHN C=CC(=O)NCCN1CCC[C@H](C)C1 521396821 352163099 /nfs/dbraw/zinc/16/30/99/352163099.db2.gz UFIGMKFFALMKQM-JTQLQIEISA-N 0 3 196.294 1.021 20 0 ADADHN N[C@]1(c2ncc[nH]2)CCCSC1 521401153 352163365 /nfs/dbraw/zinc/16/33/65/352163365.db2.gz HQSPPIKGCMXFNO-MRVPVSSYSA-N 0 3 183.280 1.091 20 0 ADADHN C[C@@H]1CCC[C@@](N)(c2ncc[nH]2)C1 521400817 352163394 /nfs/dbraw/zinc/16/33/94/352163394.db2.gz DPURWPSRBQOZID-SCZZXKLOSA-N 0 3 179.267 1.774 20 0 ADADHN N[C@@]1(c2ncc[nH]2)CCCSC1 521401166 352163497 /nfs/dbraw/zinc/16/34/97/352163497.db2.gz HQSPPIKGCMXFNO-QMMMGPOBSA-N 0 3 183.280 1.091 20 0 ADADHN C[C@H]1CCC[C@](N)(c2ncc[nH]2)C1 521400818 352163589 /nfs/dbraw/zinc/16/35/89/352163589.db2.gz DPURWPSRBQOZID-WCBMZHEXSA-N 0 3 179.267 1.774 20 0 ADADHN C[C@@H]1CCC[C@](N)(c2ncc[nH]2)C1 521400813 352163608 /nfs/dbraw/zinc/16/36/08/352163608.db2.gz DPURWPSRBQOZID-PSASIEDQSA-N 0 3 179.267 1.774 20 0 ADADHN C[C@H]1CCC[C@@](N)(c2ncc[nH]2)C1 521400820 352163619 /nfs/dbraw/zinc/16/36/19/352163619.db2.gz DPURWPSRBQOZID-WPRPVWTQSA-N 0 3 179.267 1.774 20 0 ADADHN CCCC1(CCC)CNC(=O)[C@H]1N 521401543 352164193 /nfs/dbraw/zinc/16/41/93/352164193.db2.gz ZLVVPMSDYLOJTC-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CCCC1(CCC)CNC(=O)[C@@H]1N 521401544 352164235 /nfs/dbraw/zinc/16/42/35/352164235.db2.gz ZLVVPMSDYLOJTC-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@H]1CCCC[C@]1(N)c1ncc[nH]1 521401914 352164720 /nfs/dbraw/zinc/16/47/20/352164720.db2.gz RGEHGWGVRIWRIC-WCBMZHEXSA-N 0 3 179.267 1.774 20 0 ADADHN C[C@@H]1CCCC[C@]1(N)c1ncc[nH]1 521401912 352164711 /nfs/dbraw/zinc/16/47/11/352164711.db2.gz RGEHGWGVRIWRIC-PSASIEDQSA-N 0 3 179.267 1.774 20 0 ADADHN CC1(C)CC[C@@](N)(c2ncc[nH]2)C1 521401850 352164725 /nfs/dbraw/zinc/16/47/25/352164725.db2.gz QJGWEHVTDJBREZ-JTQLQIEISA-N 0 3 179.267 1.774 20 0 ADADHN C[C@@H]1CCCC[C@@]1(N)c1ncc[nH]1 521401913 352164741 /nfs/dbraw/zinc/16/47/41/352164741.db2.gz RGEHGWGVRIWRIC-SCZZXKLOSA-N 0 3 179.267 1.774 20 0 ADADHN CC1(C)CC[C@](N)(c2ncc[nH]2)C1 521401852 352164784 /nfs/dbraw/zinc/16/47/84/352164784.db2.gz QJGWEHVTDJBREZ-SNVBAGLBSA-N 0 3 179.267 1.774 20 0 ADADHN C[C@H]1CCCC[C@@]1(N)c1ncc[nH]1 521401915 352164812 /nfs/dbraw/zinc/16/48/12/352164812.db2.gz RGEHGWGVRIWRIC-WPRPVWTQSA-N 0 3 179.267 1.774 20 0 ADADHN CC[C@H]1CCC[C@@]1(N)c1ncc[nH]1 521402245 352165076 /nfs/dbraw/zinc/16/50/76/352165076.db2.gz YWHZQVHOHOVDIN-WPRPVWTQSA-N 0 3 179.267 1.774 20 0 ADADHN CC[C@H]1CCC[C@]1(N)c1ncc[nH]1 521402244 352165085 /nfs/dbraw/zinc/16/50/85/352165085.db2.gz YWHZQVHOHOVDIN-WCBMZHEXSA-N 0 3 179.267 1.774 20 0 ADADHN CCN(CCO)Cc1ccnc(C)c1 527532492 352165589 /nfs/dbraw/zinc/16/55/89/352165589.db2.gz FSUDOJHUWGMDMP-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN Cc1cc(CN(C)C2CC2)ccn1 527531667 352165660 /nfs/dbraw/zinc/16/56/60/352165660.db2.gz ASOKSJJQWRYJQZ-UHFFFAOYSA-N 0 3 176.263 1.984 20 0 ADADHN CC[C@H](CO)NCc1ccnc(C)c1 527628469 352167122 /nfs/dbraw/zinc/16/71/22/352167122.db2.gz BHNZJTPOFANXPO-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN Cc1cc(CN2C[C@H]3C[C@H]3C2)ccn1 527536418 352167133 /nfs/dbraw/zinc/16/71/33/352167133.db2.gz QWLBVMPOWDZWHC-TXEJJXNPSA-N 0 3 188.274 1.842 20 0 ADADHN Cc1cc(CN(C)C[C@@H](C)O)ccn1 527538551 352167162 /nfs/dbraw/zinc/16/71/62/352167162.db2.gz DZBAPFRBIRHQEV-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN CC[C@@H](CO)NCc1ccnc(C)c1 527628471 352167306 /nfs/dbraw/zinc/16/73/06/352167306.db2.gz BHNZJTPOFANXPO-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN Cc1cc(CN(C)CCCO)ccn1 527540846 352167337 /nfs/dbraw/zinc/16/73/37/352167337.db2.gz VQCWLOSTJFRMKV-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN Cc1cc(CN(C)[C@H](C)CO)ccn1 527539762 352167402 /nfs/dbraw/zinc/16/74/02/352167402.db2.gz OSUYPRMATHOROU-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN C1=CCC(CNCc2cc[nH]n2)C1 527750539 352168761 /nfs/dbraw/zinc/16/87/61/352168761.db2.gz MOUZEKUEPAFQRK-UHFFFAOYSA-N 0 3 177.251 1.466 20 0 ADADHN C1=CCC(CNCc2cnccn2)C1 527746782 352168810 /nfs/dbraw/zinc/16/88/10/352168810.db2.gz WNQGFQVALUHXRH-UHFFFAOYSA-N 0 3 189.262 1.532 20 0 ADADHN Cc1c[nH]nc1CNCC1CC=CC1 527744401 352168970 /nfs/dbraw/zinc/16/89/70/352168970.db2.gz MMXZDGJWDOEERQ-UHFFFAOYSA-N 0 3 191.278 1.774 20 0 ADADHN c1coc(CNCC23CC(CO2)C3)c1 527788017 352169928 /nfs/dbraw/zinc/16/99/28/352169928.db2.gz ISQNTHZITIDXIO-UHFFFAOYSA-N 0 3 193.246 1.548 20 0 ADADHN C1=CCC(CNCc2ncc[nH]2)C1 527751319 352169839 /nfs/dbraw/zinc/16/98/39/352169839.db2.gz VSMCWYQQUNSKSD-UHFFFAOYSA-N 0 3 177.251 1.466 20 0 ADADHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CCOC1 527803331 352170575 /nfs/dbraw/zinc/17/05/75/352170575.db2.gz XULJKHODZDPMSA-MXWKQRLJSA-N 0 3 199.294 1.321 20 0 ADADHN CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CCOC1 527803330 352170744 /nfs/dbraw/zinc/17/07/44/352170744.db2.gz XULJKHODZDPMSA-AXFHLTTASA-N 0 3 199.294 1.321 20 0 ADADHN C[C@@H](NCc1cc[nH]n1)[C@H]1CC12CC2 527860252 352171449 /nfs/dbraw/zinc/17/14/49/352171449.db2.gz WDJSUWWYEICEDI-PSASIEDQSA-N 0 3 191.278 1.688 20 0 ADADHN Cc1ncc(CNCC2COC2)s1 527819719 352171741 /nfs/dbraw/zinc/17/17/41/352171741.db2.gz ZJQDYFBHDXXNAW-UHFFFAOYSA-N 0 3 198.291 1.188 20 0 ADADHN C[C@H](NCc1cc[nH]n1)[C@@H]1CC12CC2 527860255 352171750 /nfs/dbraw/zinc/17/17/50/352171750.db2.gz WDJSUWWYEICEDI-WPRPVWTQSA-N 0 3 191.278 1.688 20 0 ADADHN C[C@H](NCc1cc[nH]n1)[C@H]1CC12CC2 527860254 352171803 /nfs/dbraw/zinc/17/18/03/352171803.db2.gz WDJSUWWYEICEDI-WCBMZHEXSA-N 0 3 191.278 1.688 20 0 ADADHN C[C@@H](NCc1cc[nH]n1)[C@@H]1CC12CC2 527860253 352171891 /nfs/dbraw/zinc/17/18/91/352171891.db2.gz WDJSUWWYEICEDI-SCZZXKLOSA-N 0 3 191.278 1.688 20 0 ADADHN CO[C@H]1CCN(C/C=C(/C)Cl)C1 528395414 352177553 /nfs/dbraw/zinc/17/75/53/352177553.db2.gz LMSADOKDNJIQAU-CHDHTGKKSA-N 0 3 189.686 1.850 20 0 ADADHN C/C(Cl)=C\CN1CC[C@@](C)(O)C1 528397922 352177688 /nfs/dbraw/zinc/17/76/88/352177688.db2.gz SLVNFNDYPKUIAZ-QZGLAHODSA-N 0 3 189.686 1.586 20 0 ADADHN CO[C@H]1CCN(C/C=C(\C)Cl)C1 528395415 352177724 /nfs/dbraw/zinc/17/77/24/352177724.db2.gz LMSADOKDNJIQAU-IPQKIJNHSA-N 0 3 189.686 1.850 20 0 ADADHN C/C(Cl)=C\CN1CC[C@](C)(O)C1 528397914 352177734 /nfs/dbraw/zinc/17/77/34/352177734.db2.gz SLVNFNDYPKUIAZ-IPQKIJNHSA-N 0 3 189.686 1.586 20 0 ADADHN C/C(Cl)=C/CN1CC[C@@](C)(O)C1 528397920 352177882 /nfs/dbraw/zinc/17/78/82/352177882.db2.gz SLVNFNDYPKUIAZ-PTDYZRSTSA-N 0 3 189.686 1.586 20 0 ADADHN C/C(Cl)=C/CN1CC[C@](C)(O)C1 528397910 352177924 /nfs/dbraw/zinc/17/79/24/352177924.db2.gz SLVNFNDYPKUIAZ-CHDHTGKKSA-N 0 3 189.686 1.586 20 0 ADADHN C/C(Cl)=C\CN1C[C@H](C)[C@H](O)C1 528428993 352178327 /nfs/dbraw/zinc/17/83/27/352178327.db2.gz IOHVGJXIYJYJDN-SEGKZLOCSA-N 0 3 189.686 1.442 20 0 ADADHN C/C(Cl)=C/CN1C[C@H](O)C[C@H]1C 528433910 352178820 /nfs/dbraw/zinc/17/88/20/352178820.db2.gz SAPFFFYPLZHHIL-ALCBPQMDSA-N 0 3 189.686 1.584 20 0 ADADHN C/C(Cl)=C\CN1C[C@H](C)[C@@H](O)C1 528428992 352178847 /nfs/dbraw/zinc/17/88/47/352178847.db2.gz IOHVGJXIYJYJDN-ROAAPQQCSA-N 0 3 189.686 1.442 20 0 ADADHN C/C(Cl)=C/CN1C[C@H](O)C[C@@H]1C 528433917 352179022 /nfs/dbraw/zinc/17/90/22/352179022.db2.gz SAPFFFYPLZHHIL-LBGXYMLMSA-N 0 3 189.686 1.584 20 0 ADADHN C/C(Cl)=C/CN1C[C@H](C)[C@@H](O)C1 528428996 352179027 /nfs/dbraw/zinc/17/90/27/352179027.db2.gz IOHVGJXIYJYJDN-XQPGJMDOSA-N 0 3 189.686 1.442 20 0 ADADHN C/C(Cl)=C\CN1C[C@H](O)C[C@H]1C 528433912 352179063 /nfs/dbraw/zinc/17/90/63/352179063.db2.gz SAPFFFYPLZHHIL-FWZCLXCUSA-N 0 3 189.686 1.584 20 0 ADADHN C/C(Cl)=C/CN1C[C@H](C)[C@H](O)C1 528428994 352179100 /nfs/dbraw/zinc/17/91/00/352179100.db2.gz IOHVGJXIYJYJDN-XBFYPUGGSA-N 0 3 189.686 1.442 20 0 ADADHN C/C(Cl)=C/CN[C@@H]1CCO[C@@H]1C 528511308 352179752 /nfs/dbraw/zinc/17/97/52/352179752.db2.gz FEJZOHQXQKBDMB-ALCBPQMDSA-N 0 3 189.686 1.896 20 0 ADADHN CC(C)[C@H](N)C(=O)NCC1CC=CC1 528658602 352180959 /nfs/dbraw/zinc/18/09/59/352180959.db2.gz BUSURKQILIJOQL-JTQLQIEISA-N 0 3 196.294 1.052 20 0 ADADHN C[C@H]1CC(F)(F)CCN1CCCO 528768939 352181507 /nfs/dbraw/zinc/18/15/07/352181507.db2.gz PPMAABNAVFCKSG-QMMMGPOBSA-N 0 3 193.237 1.488 20 0 ADADHN C[C@H](O)CN1CCC(F)(F)C[C@@H]1C 528773032 352181910 /nfs/dbraw/zinc/18/19/10/352181910.db2.gz NVFXCTAHAAAPRA-YUMQZZPRSA-N 0 3 193.237 1.487 20 0 ADADHN C[C@@H](O)CN1CCC(F)(F)C[C@H]1C 528773026 352181955 /nfs/dbraw/zinc/18/19/55/352181955.db2.gz NVFXCTAHAAAPRA-HTQZYQBOSA-N 0 3 193.237 1.487 20 0 ADADHN COCCN1CCC(F)(F)C[C@H]1C 528769623 352181995 /nfs/dbraw/zinc/18/19/95/352181995.db2.gz REINRGZEXSGWCZ-MRVPVSSYSA-N 0 3 193.237 1.752 20 0 ADADHN C[C@H]1CC(F)(F)CCN1C[C@@H](C)O 528773028 352182011 /nfs/dbraw/zinc/18/20/11/352182011.db2.gz NVFXCTAHAAAPRA-JGVFFNPUSA-N 0 3 193.237 1.487 20 0 ADADHN COCCN1CCC(F)(F)C[C@@H]1C 528769632 352182048 /nfs/dbraw/zinc/18/20/48/352182048.db2.gz REINRGZEXSGWCZ-QMMMGPOBSA-N 0 3 193.237 1.752 20 0 ADADHN C[C@H](O)CN1CCC(F)(F)C[C@H]1C 528773030 352182077 /nfs/dbraw/zinc/18/20/77/352182077.db2.gz NVFXCTAHAAAPRA-SFYZADRCSA-N 0 3 193.237 1.487 20 0 ADADHN C[C@@H]1CC(F)(F)CCN1CCCO 528768937 352182084 /nfs/dbraw/zinc/18/20/84/352182084.db2.gz PPMAABNAVFCKSG-MRVPVSSYSA-N 0 3 193.237 1.488 20 0 ADADHN FCCCNCc1ccc(F)cn1 529544477 352182520 /nfs/dbraw/zinc/18/25/20/352182520.db2.gz NLTWRXKABDICEW-UHFFFAOYSA-N 0 3 186.205 1.670 20 0 ADADHN C[C@@H](O)CCNCc1ccc(F)cn1 529545304 352182766 /nfs/dbraw/zinc/18/27/66/352182766.db2.gz PELCZOKDTVOVJO-MRVPVSSYSA-N 0 3 198.241 1.081 20 0 ADADHN CO[C@H](C)CNCc1ccc(F)cn1 529555277 352183768 /nfs/dbraw/zinc/18/37/68/352183768.db2.gz KKJUFFXFDSFZGL-MRVPVSSYSA-N 0 3 198.241 1.345 20 0 ADADHN C[C@H](O)CCNCc1ccc(F)cn1 529555404 352183776 /nfs/dbraw/zinc/18/37/76/352183776.db2.gz PELCZOKDTVOVJO-QMMMGPOBSA-N 0 3 198.241 1.081 20 0 ADADHN CN(C)CCn1ccnc1C1CC1 530131728 352185870 /nfs/dbraw/zinc/18/58/70/352185870.db2.gz RVMXZEOQLCSSNB-UHFFFAOYSA-N 0 3 179.267 1.322 20 0 ADADHN C[C@@H]1C[C@H](C2CC2)C[C@H](O)N1C 536949393 352189559 /nfs/dbraw/zinc/18/95/59/352189559.db2.gz AIYCUFIUZIBXMJ-JEZHCXPESA-N 0 3 169.268 1.445 20 0 ADADHN C[C@@H]1C[C@@H](C2CC2)C[C@H](O)N1C 536949394 352189638 /nfs/dbraw/zinc/18/96/38/352189638.db2.gz AIYCUFIUZIBXMJ-QNSHHTMESA-N 0 3 169.268 1.445 20 0 ADADHN CC1(C)CNCc2c[nH]nc2C1 536948777 352189701 /nfs/dbraw/zinc/18/97/01/352189701.db2.gz WTRISRPFOHFYNZ-UHFFFAOYSA-N 0 3 165.240 1.082 20 0 ADADHN C[C@@H]1C[C@H](C2CC2)C[C@@H](O)N1C 536949390 352189743 /nfs/dbraw/zinc/18/97/43/352189743.db2.gz AIYCUFIUZIBXMJ-FKTZTGRPSA-N 0 3 169.268 1.445 20 0 ADADHN C[C@@H]1C[C@@H](C2CC2)C[C@@H](O)N1C 536949395 352189762 /nfs/dbraw/zinc/18/97/62/352189762.db2.gz AIYCUFIUZIBXMJ-SZEHBUNVSA-N 0 3 169.268 1.445 20 0 ADADHN C[C@H]1C[C@H](O)N(C)[C@H](C)C1 536950168 352190027 /nfs/dbraw/zinc/19/00/27/352190027.db2.gz LHHMINTWTLCOGI-PRJMDXOYSA-N 0 3 143.230 1.055 20 0 ADADHN CC[C@@H]1C[C@H](C)N(C)[C@@H](O)C1 536950235 352190096 /nfs/dbraw/zinc/19/00/96/352190096.db2.gz MUUAEFOOIHTCCM-YIZRAAEISA-N 0 3 157.257 1.445 20 0 ADADHN CC(C)[C@@H]1C[C@H](C)N(C)[C@@H](O)C1 536950291 352190159 /nfs/dbraw/zinc/19/01/59/352190159.db2.gz ORDWFTNQRIFZOF-AEJSXWLSSA-N 0 3 171.284 1.691 20 0 ADADHN CC[C@H]1C[C@H](O)N(C)[C@H](C)C1 536950233 352190172 /nfs/dbraw/zinc/19/01/72/352190172.db2.gz MUUAEFOOIHTCCM-HLTSFMKQSA-N 0 3 157.257 1.445 20 0 ADADHN CC(C)[C@H]1C[C@H](O)N(C)[C@H](C)C1 536950429 352190193 /nfs/dbraw/zinc/19/01/93/352190193.db2.gz ORDWFTNQRIFZOF-BBBLOLIVSA-N 0 3 171.284 1.691 20 0 ADADHN CC(C)[C@@H]1C[C@@H](C)N(C)[C@H](O)C1 536950432 352190425 /nfs/dbraw/zinc/19/04/25/352190425.db2.gz ORDWFTNQRIFZOF-OPRDCNLKSA-N 0 3 171.284 1.691 20 0 ADADHN CC[C@@H]1C[C@H](C)N(C)[C@H](O)C1 536950229 352190435 /nfs/dbraw/zinc/19/04/35/352190435.db2.gz MUUAEFOOIHTCCM-DJLDLDEBSA-N 0 3 157.257 1.445 20 0 ADADHN C[C@H]1C[C@@H](C)C[C@H](O)N1C 536950165 352190452 /nfs/dbraw/zinc/19/04/52/352190452.db2.gz LHHMINTWTLCOGI-CSMHCCOUSA-N 0 3 143.230 1.055 20 0 ADADHN CC(C)[C@@H]1C[C@H](C)N(C)[C@H](O)C1 536950431 352190492 /nfs/dbraw/zinc/19/04/92/352190492.db2.gz ORDWFTNQRIFZOF-IVZWLZJFSA-N 0 3 171.284 1.691 20 0 ADADHN CC[C@@H]1C[C@@H](C)N(C)[C@H](O)C1 536950234 352190507 /nfs/dbraw/zinc/19/05/07/352190507.db2.gz MUUAEFOOIHTCCM-IWSPIJDZSA-N 0 3 157.257 1.445 20 0 ADADHN CC(C)n1[nH]c(=O)c2c1CNC[C@H]2C 536952161 352190614 /nfs/dbraw/zinc/19/06/14/352190614.db2.gz BAEUSJMDNNKUIL-SSDOTTSWSA-N 0 3 195.266 1.376 20 0 ADADHN Nc1ccc2c(c1)[C@@H](N)[C@H](F)CC2 536952773 352191342 /nfs/dbraw/zinc/19/13/42/352191342.db2.gz FVSYAHACUIHTFB-NXEZZACHSA-N 0 3 180.226 1.553 20 0 ADADHN COc1cccc2c1CC[C@@H](F)[C@@H]2N 536954291 352191855 /nfs/dbraw/zinc/19/18/55/352191855.db2.gz RLSGBDWCWCBOQW-MWLCHTKSSA-N 0 3 195.237 1.979 20 0 ADADHN COc1cccc2c1CC[C@H](F)[C@@H]2N 536954289 352192032 /nfs/dbraw/zinc/19/20/32/352192032.db2.gz RLSGBDWCWCBOQW-GXSJLCMTSA-N 0 3 195.237 1.979 20 0 ADADHN COc1cccc2c1CC[C@H](F)[C@H]2N 536954292 352192082 /nfs/dbraw/zinc/19/20/82/352192082.db2.gz RLSGBDWCWCBOQW-ONGXEEELSA-N 0 3 195.237 1.979 20 0 ADADHN COc1ccc2c(c1)[C@@H](N)[C@@H](F)CC2 536953548 352192159 /nfs/dbraw/zinc/19/21/59/352192159.db2.gz MMOUFIKZBCLGQE-WDEREUQCSA-N 0 3 195.237 1.979 20 0 ADADHN COc1cccc2c1CC[C@@H](F)[C@H]2N 536954290 352192191 /nfs/dbraw/zinc/19/21/91/352192191.db2.gz RLSGBDWCWCBOQW-KOLCDFICSA-N 0 3 195.237 1.979 20 0 ADADHN N[C@]1(c2ccc(F)cc2F)C[C@H](O)C1 536958274 352194212 /nfs/dbraw/zinc/19/42/12/352194212.db2.gz GFTIPDFMQRDSIV-WKFQBHICSA-N 0 3 199.200 1.274 20 0 ADADHN CCN(C)c1nc2c(s1)CNCC2 536959525 352194895 /nfs/dbraw/zinc/19/48/95/352194895.db2.gz LCRJVCUMMSPSEL-UHFFFAOYSA-N 0 3 197.307 1.245 20 0 ADADHN N[C@]1(c2ccccc2Cl)C[C@H](O)C1 536959398 352194917 /nfs/dbraw/zinc/19/49/17/352194917.db2.gz IWUFYFZZZHUSKU-WKFQBHICSA-N 0 3 197.665 1.649 20 0 ADADHN CCC1(CC)CC(=O)CCN1C 536960867 352195141 /nfs/dbraw/zinc/19/51/41/352195141.db2.gz SGAYEMZWYUJKDL-UHFFFAOYSA-N 0 3 169.268 1.840 20 0 ADADHN COc1ccccc1[C@]1(N)C[C@@H](O)C1 536960626 352195202 /nfs/dbraw/zinc/19/52/02/352195202.db2.gz RAKHZIBTGHRMJG-DKTWLAJQSA-N 0 3 193.246 1.004 20 0 ADADHN C[C@H](CF)N[C@@H]1CS[C@H](C)C1 575459071 352239077 /nfs/dbraw/zinc/23/90/77/352239077.db2.gz AEKFWGJCZOFZJW-PRJMDXOYSA-N 0 3 177.288 1.828 20 0 ADADHN C[C@H](CF)N[C@H]1CS[C@H](C)C1 575459068 352239220 /nfs/dbraw/zinc/23/92/20/352239220.db2.gz AEKFWGJCZOFZJW-BWZBUEFSSA-N 0 3 177.288 1.828 20 0 ADADHN C[C@H]1C[C@H](N[C@H](C)CF)CS1 575459069 352239423 /nfs/dbraw/zinc/23/94/23/352239423.db2.gz AEKFWGJCZOFZJW-CSMHCCOUSA-N 0 3 177.288 1.828 20 0 ADADHN C[C@H]1C[C@@H](N[C@H](C)CF)CS1 575459070 352239506 /nfs/dbraw/zinc/23/95/06/352239506.db2.gz AEKFWGJCZOFZJW-GJMOJQLCSA-N 0 3 177.288 1.828 20 0 ADADHN C[C@@H]1COC[C@@H]1NC/C=C/Cl 575483969 352324927 /nfs/dbraw/zinc/32/49/27/352324927.db2.gz GZVMNZMARBMKIS-TZIBCRCASA-N 0 3 175.659 1.363 20 0 ADADHN C[C@@H]1COC[C@H]1NC/C=C/Cl 575483972 352324951 /nfs/dbraw/zinc/32/49/51/352324951.db2.gz GZVMNZMARBMKIS-YEMZYZDBSA-N 0 3 175.659 1.363 20 0 ADADHN C[C@@H]1COC[C@H]1NCc1ccccc1 575484176 352325445 /nfs/dbraw/zinc/32/54/45/352325445.db2.gz XJQKBWRZXHGACF-ZYHUDNBSSA-N 0 3 191.274 1.811 20 0 ADADHN C[C@H]1COC[C@H]1NCc1ccccc1 575484173 352325544 /nfs/dbraw/zinc/32/55/44/352325544.db2.gz XJQKBWRZXHGACF-CMPLNLGQSA-N 0 3 191.274 1.811 20 0 ADADHN C[C@@H]1COC[C@@H]1NCc1ccccc1 575484175 352325737 /nfs/dbraw/zinc/32/57/37/352325737.db2.gz XJQKBWRZXHGACF-PWSUYJOCSA-N 0 3 191.274 1.811 20 0 ADADHN C[C@H]1COC[C@@H]1NCc1ccccc1 575484174 352325783 /nfs/dbraw/zinc/32/57/83/352325783.db2.gz XJQKBWRZXHGACF-JQWIXIFHSA-N 0 3 191.274 1.811 20 0 ADADHN C[C@H](N)C(=O)Nc1cncc(Cl)c1 575487742 352344628 /nfs/dbraw/zinc/34/46/28/352344628.db2.gz HHIZHCBKRQPWHX-YFKPBYRVSA-N 0 3 199.641 1.021 20 0 ADADHN C[C@@H](N)C(=O)Nc1cncc(Cl)c1 575487737 352344697 /nfs/dbraw/zinc/34/46/97/352344697.db2.gz HHIZHCBKRQPWHX-RXMQYKEDSA-N 0 3 199.641 1.021 20 0 ADADHN F[C@H]1CNCC[C@@H]1N1CCCCC1 575499012 352398117 /nfs/dbraw/zinc/39/81/17/352398117.db2.gz PPNYOPTVJSKOPB-UWVGGRQHSA-N 0 3 186.274 1.172 20 0 ADADHN C[C@@H]1CSC[C@@H]1N[C@H](C)CF 575509354 352453116 /nfs/dbraw/zinc/45/31/16/352453116.db2.gz YRVBQYWCFBKUHZ-PRJMDXOYSA-N 0 3 177.288 1.686 20 0 ADADHN C[C@H](CF)N[C@@H]1CSC[C@@H]1C 575509356 352453287 /nfs/dbraw/zinc/45/32/87/352453287.db2.gz YRVBQYWCFBKUHZ-XLPZGREQSA-N 0 3 177.288 1.686 20 0 ADADHN C[C@@H]1CSC[C@H]1N[C@H](C)CF 575509353 352453320 /nfs/dbraw/zinc/45/33/20/352453320.db2.gz YRVBQYWCFBKUHZ-BWZBUEFSSA-N 0 3 177.288 1.686 20 0 ADADHN C[C@H](CF)N[C@H]1CSC[C@@H]1C 575509355 352453412 /nfs/dbraw/zinc/45/34/12/352453412.db2.gz YRVBQYWCFBKUHZ-RNJXMRFFSA-N 0 3 177.288 1.686 20 0 ADADHN CC(C)[C@H](N)C(=O)Nc1ccns1 575544659 352618881 /nfs/dbraw/zinc/61/88/81/352618881.db2.gz FZUGYKBCAJVVTO-ZETCQYMHSA-N 0 3 199.279 1.065 20 0 ADADHN C[C@H]1C[C@@H](N[C@H](C)CF)CO1 575571111 352729040 /nfs/dbraw/zinc/72/90/40/352729040.db2.gz HSRNBEYAOAKNKJ-GJMOJQLCSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@H](CF)N[C@@H]1CO[C@H](C)C1 575571113 352729045 /nfs/dbraw/zinc/72/90/45/352729045.db2.gz HSRNBEYAOAKNKJ-PRJMDXOYSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@H]1C[C@H](N[C@H](C)CF)CO1 575571109 352729065 /nfs/dbraw/zinc/72/90/65/352729065.db2.gz HSRNBEYAOAKNKJ-CSMHCCOUSA-N 0 3 161.220 1.111 20 0 ADADHN C[C@H](CF)N[C@H]1CO[C@H](C)C1 575571102 352729091 /nfs/dbraw/zinc/72/90/91/352729091.db2.gz HSRNBEYAOAKNKJ-BWZBUEFSSA-N 0 3 161.220 1.111 20 0 ADADHN CC(=O)CN1CCCC[C@H](C)C1 575576295 352755986 /nfs/dbraw/zinc/75/59/86/352755986.db2.gz RFLMWQONTWGTNJ-VIFPVBQESA-N 0 3 169.268 1.697 20 0 ADADHN CC(=O)CN1CCCC[C@@H](C)C1 575576294 352756380 /nfs/dbraw/zinc/75/63/80/352756380.db2.gz RFLMWQONTWGTNJ-SECBINFHSA-N 0 3 169.268 1.697 20 0 ADADHN CC(=O)CN1CCC2(CC1)CC2 575590925 352829649 /nfs/dbraw/zinc/82/96/49/352829649.db2.gz UDIUIDVTAWTZHE-UHFFFAOYSA-N 0 3 167.252 1.451 20 0 ADADHN Cc1ccc(CN(C)CCCO)s1 590295963 352912928 /nfs/dbraw/zinc/91/29/28/352912928.db2.gz GMTQWVJVSONTKJ-UHFFFAOYSA-N 0 3 199.319 1.871 20 0 ADADHN CCOCCN1CCS[C@H](C)C1 590966819 352915459 /nfs/dbraw/zinc/91/54/59/352915459.db2.gz LQJDYCQAQWTUMQ-SECBINFHSA-N 0 3 189.324 1.460 20 0 ADADHN CN(CCOCC1CC1)C1CC1 607726526 352926572 /nfs/dbraw/zinc/92/65/72/352926572.db2.gz LCBBZRXWSMKXTG-UHFFFAOYSA-N 0 3 169.268 1.507 20 0 ADADHN C1CCN(CCOCC2CC2)CC1 607725111 352926635 /nfs/dbraw/zinc/92/66/35/352926635.db2.gz YOAOLHMHYFXMIO-UHFFFAOYSA-N 0 3 183.295 1.899 20 0 ADADHN COCCN(C)CCSC(C)C 619779262 352933372 /nfs/dbraw/zinc/93/33/72/352933372.db2.gz QJNUXMYTTPLXRY-UHFFFAOYSA-N 0 3 191.340 1.706 20 0 ADADHN CN(C)CCNC(=O)CCCC1CC1 643121832 352938390 /nfs/dbraw/zinc/93/83/90/352938390.db2.gz NRWXBLJZXLZKDL-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCC[C@@H]1C[C@H]1C(=O)NCCN(C)C 643121905 352938668 /nfs/dbraw/zinc/93/86/68/352938668.db2.gz UFLYSRSFIKXSTP-NXEZZACHSA-N 0 3 198.310 1.100 20 0 ADADHN CN(CC(F)F)C[C@H]1CCCN1C 643256287 352942703 /nfs/dbraw/zinc/94/27/03/352942703.db2.gz VHDSDYJNBOCICN-MRVPVSSYSA-N 0 3 192.253 1.278 20 0 ADADHN CC[C@@H](C)CNCc1cnnn1CC 643293850 352944039 /nfs/dbraw/zinc/94/40/39/352944039.db2.gz GYKLSUPGOPKWPT-SECBINFHSA-N 0 3 196.298 1.434 20 0 ADADHN CC[C@H](C)CNCc1cnnn1CC 643293851 352944116 /nfs/dbraw/zinc/94/41/16/352944116.db2.gz GYKLSUPGOPKWPT-VIFPVBQESA-N 0 3 196.298 1.434 20 0 ADADHN COC1([C@H](C)NCCF)CCCC1 643348828 352948443 /nfs/dbraw/zinc/94/84/43/352948443.db2.gz RHDZLDBHBDQWEN-VIFPVBQESA-N 0 3 189.274 1.893 20 0 ADADHN COC1([C@@H](C)NCCF)CCCC1 643348827 352948465 /nfs/dbraw/zinc/94/84/65/352948465.db2.gz RHDZLDBHBDQWEN-SECBINFHSA-N 0 3 189.274 1.893 20 0 ADADHN COCC[C@@H]1COCCN1CC1CC1 643354271 352949057 /nfs/dbraw/zinc/94/90/57/352949057.db2.gz DZUADKVFACQDRS-LLVKDONJSA-N 0 3 199.294 1.134 20 0 ADADHN CCn1ccc(CN(C)C[C@@H](C)O)c1 643356324 352949088 /nfs/dbraw/zinc/94/90/88/352949088.db2.gz SHMPISOQELSNDE-SNVBAGLBSA-N 0 3 196.294 1.321 20 0 ADADHN Cc1ccc(CN(C)C[C@@H](C)O)nc1 643356109 352949119 /nfs/dbraw/zinc/94/91/19/352949119.db2.gz PWHWCFQDUJFQCF-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN CCN(Cc1cn[nH]c1)C[C@@H](C)OC 643357134 352949189 /nfs/dbraw/zinc/94/91/89/352949189.db2.gz XPXGNOYGGFMQHX-SECBINFHSA-N 0 3 197.282 1.267 20 0 ADADHN Cc1ccncc1CN(C)C[C@@H](C)O 643356099 352949197 /nfs/dbraw/zinc/94/91/97/352949197.db2.gz NFKFZKSWMANCTO-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN Cc1ccc(CN(C)C[C@H](C)O)nc1 643356105 352949241 /nfs/dbraw/zinc/94/92/41/352949241.db2.gz PWHWCFQDUJFQCF-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN CCn1ccc(CN(C)C[C@H](C)O)c1 643356133 352949251 /nfs/dbraw/zinc/94/92/51/352949251.db2.gz SHMPISOQELSNDE-JTQLQIEISA-N 0 3 196.294 1.321 20 0 ADADHN CCc1ccc(CN(C)C[C@@H](C)O)o1 643356089 352949316 /nfs/dbraw/zinc/94/93/16/352949316.db2.gz IITQOSVHGYOGKB-SECBINFHSA-N 0 3 197.278 1.655 20 0 ADADHN CCN(Cc1cn[nH]c1)C[C@H](C)OC 643357135 352949376 /nfs/dbraw/zinc/94/93/76/352949376.db2.gz XPXGNOYGGFMQHX-VIFPVBQESA-N 0 3 197.282 1.267 20 0 ADADHN COCC[C@H]1COCCN1CC1CC1 643354272 352949383 /nfs/dbraw/zinc/94/93/83/352949383.db2.gz DZUADKVFACQDRS-NSHDSACASA-N 0 3 199.294 1.134 20 0 ADADHN Cc1ccncc1CN(C)C[C@H](C)O 643356092 352949396 /nfs/dbraw/zinc/94/93/96/352949396.db2.gz NFKFZKSWMANCTO-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN C[C@@H](c1cccnc1)N(C)C[C@@H](C)O 643412598 352950864 /nfs/dbraw/zinc/95/08/64/352950864.db2.gz QGIJBLWAJUMJHO-ZJUUUORDSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@@H](O)CN(C)[C@H](C)c1ccccn1 643412292 352950878 /nfs/dbraw/zinc/95/08/78/352950878.db2.gz MAIAPNQUYKLOGS-NXEZZACHSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@H](O)CN(C)[C@@H](C)c1cccnc1 643410817 352950984 /nfs/dbraw/zinc/95/09/84/352950984.db2.gz QGIJBLWAJUMJHO-UWVGGRQHSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@H](O)CN(C)[C@H](C)c1ccccn1 643410228 352950993 /nfs/dbraw/zinc/95/09/93/352950993.db2.gz MAIAPNQUYKLOGS-VHSXEESVSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@H](O)CN(C)[C@H](C)c1cccnc1 643410818 352950998 /nfs/dbraw/zinc/95/09/98/352950998.db2.gz QGIJBLWAJUMJHO-VHSXEESVSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@H](O)CN(C)[C@@H](C)c1ccccn1 643410227 352951049 /nfs/dbraw/zinc/95/10/49/352951049.db2.gz MAIAPNQUYKLOGS-UWVGGRQHSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@@H](c1ccccn1)N(C)C[C@@H](C)O 643412293 352951125 /nfs/dbraw/zinc/95/11/25/352951125.db2.gz MAIAPNQUYKLOGS-ZJUUUORDSA-N 0 3 194.278 1.455 20 0 ADADHN C[C@@H](O)CN(C)[C@H](C)c1cccnc1 643412597 352951192 /nfs/dbraw/zinc/95/11/92/352951192.db2.gz QGIJBLWAJUMJHO-NXEZZACHSA-N 0 3 194.278 1.455 20 0 ADADHN CC[C@@H](C)C(=O)NCCN1CCCC1 643610577 353004905 /nfs/dbraw/zinc/00/49/05/353004905.db2.gz LTWZMBSFLLAAPZ-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN COCCN(C1CC1)C1CC1 19460612 371626347 /nfs/dbraw/zinc/62/63/47/371626347.db2.gz QUPYKHMRBSQSNA-UHFFFAOYSA-N 0 3 155.241 1.260 20 0 ADADHN CC(C)CNC(=O)C1(N)CCCCC1 19429445 371626454 /nfs/dbraw/zinc/62/64/54/371626454.db2.gz WZXNYGZMTRWPEY-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C(C)C 19470185 371626709 /nfs/dbraw/zinc/62/67/09/371626709.db2.gz TZTVXPHIPUXQKM-BDAKNGLRSA-N 0 3 186.299 1.227 20 0 ADADHN CC[C@H](C)[C@H](N)C(=O)N(C)C(C)C 19470187 371626977 /nfs/dbraw/zinc/62/69/77/371626977.db2.gz TZTVXPHIPUXQKM-IUCAKERBSA-N 0 3 186.299 1.227 20 0 ADADHN CCC(CC)NC(=O)[C@@H](N)C(C)C 19513289 371627127 /nfs/dbraw/zinc/62/71/27/371627127.db2.gz RSDAGJLYOWQZLN-VIFPVBQESA-N 0 3 186.299 1.275 20 0 ADADHN C[C@@H]1[C@@H](NC(=O)[C@@H](C)N)CCC[C@H]1C 19440740 371627195 /nfs/dbraw/zinc/62/71/95/371627195.db2.gz RLHYPWJBPDJDNV-RGOKHQFPSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)N 19440736 371627263 /nfs/dbraw/zinc/62/72/63/371627263.db2.gz RLHYPWJBPDJDNV-UTINFBMNSA-N 0 3 198.310 1.275 20 0 ADADHN OCC[C@@H]1NCCc2ccccc21 36154637 371632708 /nfs/dbraw/zinc/63/27/08/371632708.db2.gz OGEQGIJAWBEJPO-NSHDSACASA-N 0 3 177.247 1.256 20 0 ADADHN OCC[C@H]1NCCc2ccccc21 36154635 371632924 /nfs/dbraw/zinc/63/29/24/371632924.db2.gz OGEQGIJAWBEJPO-LLVKDONJSA-N 0 3 177.247 1.256 20 0 ADADHN CC1(C)NCCCS1 87603794 371653735 /nfs/dbraw/zinc/65/37/35/371653735.db2.gz VQIFQWPTFDTVTF-UHFFFAOYSA-N 0 3 131.244 1.449 20 0 in-vitro ADADHN C1CN[C@H](c2nc(CC3CC3)no2)C1 87580067 371654454 /nfs/dbraw/zinc/65/44/54/371654454.db2.gz NNYRXXPOAQYUTI-QMMMGPOBSA-N 0 3 193.250 1.447 20 0 ADADHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 167368097 371683132 /nfs/dbraw/zinc/68/31/32/371683132.db2.gz XNMMMCVQUKKNSP-UTLUCORTSA-N 0 3 198.310 1.289 20 0 ADADHN CCCCNC(=O)[C@H]1C[C@H](C)CCN1 167375815 371683422 /nfs/dbraw/zinc/68/34/22/371683422.db2.gz BIMHPXXNLHJFAL-NXEZZACHSA-N 0 3 198.310 1.291 20 0 ADADHN CCCCNC(=O)[C@H]1C[C@@H](C)CCN1 167375959 371683448 /nfs/dbraw/zinc/68/34/48/371683448.db2.gz BIMHPXXNLHJFAL-VHSXEESVSA-N 0 3 198.310 1.291 20 0 ADADHN CCCCNC(=O)[C@@H]1C[C@@H](C)CCN1 167375915 371683494 /nfs/dbraw/zinc/68/34/94/371683494.db2.gz BIMHPXXNLHJFAL-UWVGGRQHSA-N 0 3 198.310 1.291 20 0 ADADHN CCCCNC(=O)[C@@H]1C[C@H](C)CCN1 167375721 371683671 /nfs/dbraw/zinc/68/36/71/371683671.db2.gz BIMHPXXNLHJFAL-ZJUUUORDSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)CCN1 167368332 371683731 /nfs/dbraw/zinc/68/37/31/371683731.db2.gz XNMMMCVQUKKNSP-KXUCPTDWSA-N 0 3 198.310 1.289 20 0 ADADHN CCC1CCN(CC(=O)N(C)C)CC1 197962340 371697383 /nfs/dbraw/zinc/69/73/83/371697383.db2.gz WDJRKEIMJOTEGH-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN COC(=O)CCN1CC=C(C)CC1 203722627 371704973 /nfs/dbraw/zinc/70/49/73/371704973.db2.gz YNVFCCSINPBAGN-UHFFFAOYSA-N 0 3 183.251 1.202 20 0 ADADHN C[C@@H]1CC[C@@H](CN2CCC[C@H](O)C2)O1 227372343 371719648 /nfs/dbraw/zinc/71/96/48/371719648.db2.gz RPFPIWNENJAAKZ-VWYCJHECSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H]1CC[C@H](CN2CCC[C@H](O)C2)O1 227372349 371719688 /nfs/dbraw/zinc/71/96/88/371719688.db2.gz RPFPIWNENJAAKZ-OUAUKWLOSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1c[nH]cn1 306429130 371753338 /nfs/dbraw/zinc/75/33/38/371753338.db2.gz ODCSJUDOBBCVHH-RKDXNWHRSA-N 0 3 179.267 1.783 20 0 ADADHN Nc1ccncc1C(F)F 238661115 371730795 /nfs/dbraw/zinc/73/07/95/371730795.db2.gz NGZHPYBZQSIEID-UHFFFAOYSA-N 0 3 144.124 1.601 20 0 ADADHN CCCCN(C)CC(=O)N1CCCC1 242981066 371733014 /nfs/dbraw/zinc/73/30/14/371733014.db2.gz HQWZLBSCXDQBCX-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CC(C)(O)CN1CC[C@](C)(F)C1 306512192 371758804 /nfs/dbraw/zinc/75/88/04/371758804.db2.gz PAUYIJGVTIBWPO-VIFPVBQESA-N 0 3 175.247 1.191 20 0 ADADHN CC(C)(O)CN1CC[C@@](C)(F)C1 306512191 371759085 /nfs/dbraw/zinc/75/90/85/371759085.db2.gz PAUYIJGVTIBWPO-SECBINFHSA-N 0 3 175.247 1.191 20 0 ADADHN CC(C)CN1CCO[C@@H](C)C1 306932421 371769264 /nfs/dbraw/zinc/76/92/64/371769264.db2.gz FDIZOHMHIJBIBV-VIFPVBQESA-N 0 3 157.257 1.363 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2cc[nH]n2)C1 307549410 371783194 /nfs/dbraw/zinc/78/31/94/371783194.db2.gz NNAKFGFHYKFEGI-RKDXNWHRSA-N 0 3 179.267 1.640 20 0 ADADHN COc1cc(CNC(C)C)sn1 320297682 371789011 /nfs/dbraw/zinc/78/90/11/371789011.db2.gz BLBPKCULBOBKOQ-UHFFFAOYSA-N 0 3 186.280 1.650 20 0 ADADHN CCCNCc1cc(OC)ns1 320561356 371789052 /nfs/dbraw/zinc/78/90/52/371789052.db2.gz VOISLVXOJQBAFV-UHFFFAOYSA-N 0 3 186.280 1.651 20 0 ADADHN COc1cc(CNC2CC2)sn1 320522824 371789706 /nfs/dbraw/zinc/78/97/06/371789706.db2.gz RFBJFDYTBQCDMS-UHFFFAOYSA-N 0 3 184.264 1.404 20 0 ADADHN CC[C@@H](O)CNCc1ccoc1C 321574148 371790894 /nfs/dbraw/zinc/79/08/94/371790894.db2.gz NVKHTRHTQKIHTC-SNVBAGLBSA-N 0 3 183.251 1.449 20 0 ADADHN CC[C@H](O)CNCc1ccoc1C 321574143 371791094 /nfs/dbraw/zinc/79/10/94/371791094.db2.gz NVKHTRHTQKIHTC-JTQLQIEISA-N 0 3 183.251 1.449 20 0 ADADHN CC[C@](C)(CNCCF)OC 322736913 371792517 /nfs/dbraw/zinc/79/25/17/371792517.db2.gz XAQJCMGFOHWMTP-MRVPVSSYSA-N 0 3 163.236 1.361 20 0 ADADHN CC[C@@](C)(CNCCF)OC 322736914 371793010 /nfs/dbraw/zinc/79/30/10/371793010.db2.gz XAQJCMGFOHWMTP-QMMMGPOBSA-N 0 3 163.236 1.361 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1cnn(C)c1 334143574 371798022 /nfs/dbraw/zinc/79/80/22/371798022.db2.gz SXOHCXORWAUYDG-NXEZZACHSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1nccn1C 334140632 371798394 /nfs/dbraw/zinc/79/83/94/371798394.db2.gz ANOUBWFJFKXVFF-UWVGGRQHSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1nccn1C 334140631 371798552 /nfs/dbraw/zinc/79/85/52/371798552.db2.gz ANOUBWFJFKXVFF-NXEZZACHSA-N 0 3 193.294 1.793 20 0 ADADHN CC[C@@H](C)CN1CCc2n[nH]cc2C1 334142380 371798581 /nfs/dbraw/zinc/79/85/81/371798581.db2.gz ABKVGDDESAZCGV-SECBINFHSA-N 0 3 193.294 1.814 20 0 ADADHN CC[C@H](O)CN1CCOC2(CCC2)C1 334221909 371799781 /nfs/dbraw/zinc/79/97/81/371799781.db2.gz URZDMQZKNKUPTQ-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN CC[C@@H](O)CN1CCOC2(CCC2)C1 334221910 371799846 /nfs/dbraw/zinc/79/98/46/371799846.db2.gz URZDMQZKNKUPTQ-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN CN(C)C(=O)CN1CCC(C)(C)CC1 334222564 371799947 /nfs/dbraw/zinc/79/99/47/371799947.db2.gz VRCLKIZIGUULHT-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@@H]1CN(CC2CCOCC2)CCO1 334221458 371799990 /nfs/dbraw/zinc/79/99/90/371799990.db2.gz TZFULDNYDYOVSE-SNVBAGLBSA-N 0 3 199.294 1.134 20 0 ADADHN CN(Cc1cncn1C)C(C)(C)C 336132336 371805522 /nfs/dbraw/zinc/80/55/22/371805522.db2.gz LKTHZQKOCSUOIM-UHFFFAOYSA-N 0 3 181.283 1.650 20 0 ADADHN COc1ccc2c(c1)[C@@H](N)[C@H](F)CC2 536953537 371818456 /nfs/dbraw/zinc/81/84/56/371818456.db2.gz MMOUFIKZBCLGQE-GHMZBOCLSA-N 0 3 195.237 1.979 20 0 ADADHN CCN(Cc1n[nH]c(C)n1)CC(C)C 644657796 371894049 /nfs/dbraw/zinc/89/40/49/371894049.db2.gz NUNJOPMCKBAIFM-UHFFFAOYSA-N 0 3 196.298 1.591 20 0 ADADHN CCNC(=O)CN(CC(C)C)C1CC1 613409803 371866093 /nfs/dbraw/zinc/86/60/93/371866093.db2.gz QJPNRPSSGGEKIS-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H]1CN(CCCOC)CCO1 613412727 371866151 /nfs/dbraw/zinc/86/61/51/371866151.db2.gz LEHMCALXILCHNT-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@@H]1CN(CCCOC)CCO1 613412728 371866197 /nfs/dbraw/zinc/86/61/97/371866197.db2.gz LEHMCALXILCHNT-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CC1(CCNC(=O)CNC2CC2)CC1 644149934 371876174 /nfs/dbraw/zinc/87/61/74/371876174.db2.gz VHASUPRXXQALFA-UHFFFAOYSA-N 0 3 196.294 1.045 20 0 ADADHN CC[C@H](O)CNCc1ccc(F)cn1 644599524 371886591 /nfs/dbraw/zinc/88/65/91/371886591.db2.gz ARIAXNVNOZUADR-JTQLQIEISA-N 0 3 198.241 1.081 20 0 ADADHN CC[C@@H](O)CNCc1ccc(F)cn1 644599525 371888220 /nfs/dbraw/zinc/88/82/20/371888220.db2.gz ARIAXNVNOZUADR-SNVBAGLBSA-N 0 3 198.241 1.081 20 0 ADADHN CCc1cnccc1CNC[C@@H](C)O 644617902 371889791 /nfs/dbraw/zinc/88/97/91/371889791.db2.gz BABDWVDLEOWUAJ-SECBINFHSA-N 0 3 194.278 1.114 20 0 ADADHN CCc1cnccc1CNC[C@H](C)O 644617903 371890230 /nfs/dbraw/zinc/89/02/30/371890230.db2.gz BABDWVDLEOWUAJ-VIFPVBQESA-N 0 3 194.278 1.114 20 0 ADADHN CCc1ccnc(CNC[C@@H](C)O)c1 644638239 371891195 /nfs/dbraw/zinc/89/11/95/371891195.db2.gz LQQCFPVKUZSVGR-SECBINFHSA-N 0 3 194.278 1.114 20 0 ADADHN CCc1ccnc(CNC[C@H](C)O)c1 644638240 371891391 /nfs/dbraw/zinc/89/13/91/371891391.db2.gz LQQCFPVKUZSVGR-VIFPVBQESA-N 0 3 194.278 1.114 20 0 ADADHN CCc1noc(C)c1CNC[C@@H](C)O 644653459 371892839 /nfs/dbraw/zinc/89/28/39/371892839.db2.gz XSKUAEUOLKYZSO-SSDOTTSWSA-N 0 3 198.266 1.016 20 0 ADADHN CCc1noc(C)c1CNC[C@H](C)O 644653461 371893299 /nfs/dbraw/zinc/89/32/99/371893299.db2.gz XSKUAEUOLKYZSO-ZETCQYMHSA-N 0 3 198.266 1.016 20 0 ADADHN Cc1nc(CN(C)[C@H](C)C(C)C)n[nH]1 644656206 371894163 /nfs/dbraw/zinc/89/41/63/371894163.db2.gz MQZCYPSLXVDRJM-MRVPVSSYSA-N 0 3 196.298 1.589 20 0 ADADHN Cc1nc(CN(C)[C@@H](C)C(C)C)n[nH]1 644656207 371894425 /nfs/dbraw/zinc/89/44/25/371894425.db2.gz MQZCYPSLXVDRJM-QMMMGPOBSA-N 0 3 196.298 1.589 20 0 ADADHN CCCCN(CC)Cc1n[nH]c(C)n1 644655343 371894755 /nfs/dbraw/zinc/89/47/55/371894755.db2.gz RYQNAEBSWHBTFE-UHFFFAOYSA-N 0 3 196.298 1.735 20 0 ADADHN CCCN(CCC)Cc1n[nH]c(C)n1 644656706 371894804 /nfs/dbraw/zinc/89/48/04/371894804.db2.gz IHXYNSPQMUAXAN-UHFFFAOYSA-N 0 3 196.298 1.735 20 0 ADADHN Cc1nc(CN(C)[C@H](C)C2CC2)n[nH]1 644656550 371895041 /nfs/dbraw/zinc/89/50/41/371895041.db2.gz YRUNFTGDMGLJQI-SSDOTTSWSA-N 0 3 194.282 1.343 20 0 ADADHN Cc1nc(CN(C)[C@@H](C)C2CC2)n[nH]1 644656553 371895433 /nfs/dbraw/zinc/89/54/33/371895433.db2.gz YRUNFTGDMGLJQI-ZETCQYMHSA-N 0 3 194.282 1.343 20 0 ADADHN CCN(Cc1n[nH]c(C)n1)CC1CC1 644667735 371896070 /nfs/dbraw/zinc/89/60/70/371896070.db2.gz QJXXQBLBWOSBLO-UHFFFAOYSA-N 0 3 194.282 1.345 20 0 ADADHN CCN(Cc1n[nH]c(C)n1)C1CCC1 644668867 371896545 /nfs/dbraw/zinc/89/65/45/371896545.db2.gz LQINJGXSFMGKEW-UHFFFAOYSA-N 0 3 194.282 1.488 20 0 ADADHN CC[C@H](O)CN[C@@H]1CCCC[C@H]1F 644672166 371897411 /nfs/dbraw/zinc/89/74/11/371897411.db2.gz IZCUKQZPSPGCKH-IVZWLZJFSA-N 0 3 189.274 1.628 20 0 ADADHN CC[C@@H](O)CN[C@@H]1C[C@H]1c1ccco1 644673501 371897636 /nfs/dbraw/zinc/89/76/36/371897636.db2.gz ZZVBXGJVSJAGSB-OPRDCNLKSA-N 0 3 195.262 1.496 20 0 ADADHN C[C@H](O)CN[C@@H]1C[C@H]1c1ccco1 644673179 371897930 /nfs/dbraw/zinc/89/79/30/371897930.db2.gz LMFAYHGMLLEMDB-DJLDLDEBSA-N 0 3 181.235 1.106 20 0 ADADHN C[C@@H](O)CN[C@@H]1C[C@H]1c1ccco1 644673181 371897837 /nfs/dbraw/zinc/89/78/37/371897837.db2.gz LMFAYHGMLLEMDB-IWSPIJDZSA-N 0 3 181.235 1.106 20 0 ADADHN C[C@H](O)CN[C@@H]1CCCC[C@H]1F 644672170 371897862 /nfs/dbraw/zinc/89/78/62/371897862.db2.gz JDTFLDNPIPXAMG-DJLDLDEBSA-N 0 3 175.247 1.238 20 0 ADADHN CC[C@H](O)CN[C@@H]1C[C@H]1c1ccco1 644673499 371897898 /nfs/dbraw/zinc/89/78/98/371897898.db2.gz ZZVBXGJVSJAGSB-IVZWLZJFSA-N 0 3 195.262 1.496 20 0 ADADHN C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 644672171 371897990 /nfs/dbraw/zinc/89/79/90/371897990.db2.gz JDTFLDNPIPXAMG-IWSPIJDZSA-N 0 3 175.247 1.238 20 0 ADADHN CC[C@@H](O)CN[C@@H]1CCCC[C@H]1F 644672167 371898061 /nfs/dbraw/zinc/89/80/61/371898061.db2.gz IZCUKQZPSPGCKH-OPRDCNLKSA-N 0 3 189.274 1.628 20 0 ADADHN CCC(C)(C)N(C)Cc1n[nH]c(C)n1 644676630 371899267 /nfs/dbraw/zinc/89/92/67/371899267.db2.gz QDBOTBWHYUIKEJ-UHFFFAOYSA-N 0 3 196.298 1.734 20 0 ADADHN Cc1nc(CN(C(C)C)C(C)C)n[nH]1 644680582 371899793 /nfs/dbraw/zinc/89/97/93/371899793.db2.gz MKIVWZNEDDAZHZ-UHFFFAOYSA-N 0 3 196.298 1.732 20 0 ADADHN CCN(Cc1cccnc1)[C@H](C)CO 644705891 371900669 /nfs/dbraw/zinc/90/06/69/371900669.db2.gz ADVZDRNSJOIZDQ-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN CN(C)CCNC(=O)[C@@H]1CC=CCC1 644707462 371900696 /nfs/dbraw/zinc/90/06/96/371900696.db2.gz FHEHGVWYPMXZNM-SNVBAGLBSA-N 0 3 196.294 1.021 20 0 ADADHN CN(C)CCNC(=O)[C@H]1CC=CCC1 644707461 371901327 /nfs/dbraw/zinc/90/13/27/371901327.db2.gz FHEHGVWYPMXZNM-JTQLQIEISA-N 0 3 196.294 1.021 20 0 ADADHN CCCN(CC(N)=O)[C@H]1C=CCCC1 644785327 371907609 /nfs/dbraw/zinc/90/76/09/371907609.db2.gz SRUSPXTZYBSGCH-JTQLQIEISA-N 0 3 196.294 1.292 20 0 ADADHN CC/C=C\CCN(CCC)CC(N)=O 644785469 371907071 /nfs/dbraw/zinc/90/70/71/371907071.db2.gz CIUHJIXIDIYALS-WAYWQWQTSA-N 0 3 198.310 1.540 20 0 ADADHN CCCN(CC(N)=O)[C@@H]1C=CCCC1 644785328 371907505 /nfs/dbraw/zinc/90/75/05/371907505.db2.gz SRUSPXTZYBSGCH-SNVBAGLBSA-N 0 3 196.294 1.292 20 0 ADADHN CNC(=O)CN(C1CCC1)C1CCC1 644784893 371907662 /nfs/dbraw/zinc/90/76/62/371907662.db2.gz MDPAEWLOGRSVDN-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CC/C=C/CCN(CCC)CC(N)=O 644785468 371907726 /nfs/dbraw/zinc/90/77/26/371907726.db2.gz CIUHJIXIDIYALS-AATRIKPKSA-N 0 3 198.310 1.540 20 0 ADADHN CCCN(CC(N)=O)CC1CCCC1 644785341 371908505 /nfs/dbraw/zinc/90/85/05/371908505.db2.gz QUROWBQVXOCMID-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CCN(Cc1ccc(C)o1)[C@H](C)CO 644834775 371917744 /nfs/dbraw/zinc/91/77/44/371917744.db2.gz XPBBSDWNUBSXIA-SECBINFHSA-N 0 3 197.278 1.791 20 0 ADADHN CCN(Cc1ccn(C)c1)[C@H](C)CO 644835303 371917858 /nfs/dbraw/zinc/91/78/58/371917858.db2.gz TYOHTCBVIZJQRK-SNVBAGLBSA-N 0 3 196.294 1.228 20 0 ADADHN CCN(Cc1occc1C)[C@H](C)CO 644835278 371917876 /nfs/dbraw/zinc/91/78/76/371917876.db2.gz OIVRQEHLBZDTOX-SNVBAGLBSA-N 0 3 197.278 1.791 20 0 ADADHN CCN(Cc1cccn1C)[C@H](C)CO 644835282 371917892 /nfs/dbraw/zinc/91/78/92/371917892.db2.gz PPAUJSCEQGZPLW-SNVBAGLBSA-N 0 3 196.294 1.228 20 0 ADADHN COCC(C)(C)N(C)Cc1cn[nH]c1 644841362 371921405 /nfs/dbraw/zinc/92/14/05/371921405.db2.gz DOSIHFBYKGHXEU-UHFFFAOYSA-N 0 3 197.282 1.267 20 0 ADADHN COCC1=CCN(CC[C@@H](C)O)CC1 644929648 371932532 /nfs/dbraw/zinc/93/25/32/371932532.db2.gz BGRZICPVYKEVSZ-SNVBAGLBSA-N 0 3 199.294 1.036 20 0 ADADHN COCC1=CCN(CC[C@H](C)O)CC1 644929647 371932869 /nfs/dbraw/zinc/93/28/69/371932869.db2.gz BGRZICPVYKEVSZ-JTQLQIEISA-N 0 3 199.294 1.036 20 0 ADADHN CO[C@@H](CN1CC[C@H](F)C1)C1CC1 644939098 371933474 /nfs/dbraw/zinc/93/34/74/371933474.db2.gz IYSZLZWLNWSKQW-UWVGGRQHSA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@H](CN1CC[C@H](F)C1)C1CC1 644939099 371934236 /nfs/dbraw/zinc/93/42/36/371934236.db2.gz IYSZLZWLNWSKQW-VHSXEESVSA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@H](CN1CC[C@@H](F)C1)C1CC1 644939097 371934714 /nfs/dbraw/zinc/93/47/14/371934714.db2.gz IYSZLZWLNWSKQW-NXEZZACHSA-N 0 3 187.258 1.455 20 0 ADADHN CO[C@@H](CN1CC[C@@H](F)C1)C1CC1 644939100 371934932 /nfs/dbraw/zinc/93/49/32/371934932.db2.gz IYSZLZWLNWSKQW-ZJUUUORDSA-N 0 3 187.258 1.455 20 0 ADADHN CCN(Cc1cccnc1)[C@@H](C)CO 645231545 371955593 /nfs/dbraw/zinc/95/55/93/371955593.db2.gz ADVZDRNSJOIZDQ-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN CCN1CCN(CC2=CCCC2)CC1 645772330 371965147 /nfs/dbraw/zinc/96/51/47/371965147.db2.gz RXWRHINXYQKVJH-UHFFFAOYSA-N 0 3 194.322 1.734 20 0 ADADHN C1=C(CN2CCCOCC2)CCC1 645786700 371965885 /nfs/dbraw/zinc/96/58/85/371965885.db2.gz ZTXDEFQOEHHRIE-UHFFFAOYSA-N 0 3 181.279 1.819 20 0 ADADHN CN(CC1=CCCC1)[C@H]1CCOC1 645800807 371967494 /nfs/dbraw/zinc/96/74/94/371967494.db2.gz YRVVPWMLQQINJE-NSHDSACASA-N 0 3 181.279 1.817 20 0 ADADHN CN(CC1=CCCC1)[C@@H]1CCOC1 645800806 371967630 /nfs/dbraw/zinc/96/76/30/371967630.db2.gz YRVVPWMLQQINJE-LLVKDONJSA-N 0 3 181.279 1.817 20 0 ADADHN CN(CC1=CCCC1)C1CC(O)C1 645857734 371968799 /nfs/dbraw/zinc/96/87/99/371968799.db2.gz UZMRSGPOHDTDGW-UHFFFAOYSA-N 0 3 181.279 1.552 20 0 ADADHN CN(CC1=CCCC1)C(C)(C)C(N)=O 645923770 371970232 /nfs/dbraw/zinc/97/02/32/371970232.db2.gz VGMOWJTZMREXDV-UHFFFAOYSA-N 0 3 196.294 1.292 20 0 ADADHN CO[C@@H]1COC[C@@H]1NCC1=CCCC1 645928001 371970301 /nfs/dbraw/zinc/97/03/01/371970301.db2.gz OGSNGQAJTSPMBJ-WDEREUQCSA-N 0 3 197.278 1.100 20 0 ADADHN CN(CC1=CCCC1)C1(CO)CC1 645911089 371971185 /nfs/dbraw/zinc/97/11/85/371971185.db2.gz FUNVINLFXHNTNN-UHFFFAOYSA-N 0 3 181.279 1.553 20 0 ADADHN NC(=O)[C@H]1CCCN1CC1=CCCC1 645925181 371971227 /nfs/dbraw/zinc/97/12/27/371971227.db2.gz AUIDHJMHUJLEGO-SNVBAGLBSA-N 0 3 194.278 1.046 20 0 ADADHN CCN1CCN2CC(F)(F)C[C@H]2C1 645938235 371971707 /nfs/dbraw/zinc/97/17/07/371971707.db2.gz XBCNBBNFHGVENL-QMMMGPOBSA-N 0 3 190.237 1.032 20 0 ADADHN CC[C@@H](C(N)=O)N1CCCC(C)(C)C1 69793708 375316927 /nfs/dbraw/zinc/31/69/27/375316927.db2.gz APUOYPRUXFDZDK-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@H](C)NCC 20363988 375289448 /nfs/dbraw/zinc/28/94/48/375289448.db2.gz YYLYWSLBFNBCEQ-BDAKNGLRSA-N 0 3 186.299 1.289 20 0 ADADHN CCCCCNC(=O)[C@@H](C)NCC 20363969 375289533 /nfs/dbraw/zinc/28/95/33/375289533.db2.gz IVWSTYHYKMZABC-SECBINFHSA-N 0 3 186.299 1.291 20 0 ADADHN CCC[C@H](C)NC(=O)[C@H](C)NCC 20363990 375289560 /nfs/dbraw/zinc/28/95/60/375289560.db2.gz YYLYWSLBFNBCEQ-IUCAKERBSA-N 0 3 186.299 1.289 20 0 ADADHN CCC[C@H](C)NC(=O)[C@@H](C)NCC 20363986 375289707 /nfs/dbraw/zinc/28/97/07/375289707.db2.gz YYLYWSLBFNBCEQ-DTWKUNHWSA-N 0 3 186.299 1.289 20 0 ADADHN Cc1nc(CNCC2CC2)cs1 20252817 375289716 /nfs/dbraw/zinc/28/97/16/375289716.db2.gz KOIKKIJONWXFDC-UHFFFAOYSA-N 0 3 182.292 1.951 20 0 ADADHN Cc1noc(C)c1CNCC1CC1 20252816 375289737 /nfs/dbraw/zinc/28/97/37/375289737.db2.gz BZQJMBMWJNLTSN-UHFFFAOYSA-N 0 3 180.251 1.791 20 0 ADADHN CCN[C@H](C)C(=O)NC(CC)CC 20363983 375289758 /nfs/dbraw/zinc/28/97/58/375289758.db2.gz UBEMRNURWZVPPL-MRVPVSSYSA-N 0 3 186.299 1.289 20 0 ADADHN CCCCCNC(=O)[C@H](C)NCC 20363971 375289866 /nfs/dbraw/zinc/28/98/66/375289866.db2.gz IVWSTYHYKMZABC-VIFPVBQESA-N 0 3 186.299 1.291 20 0 ADADHN CCN[C@@H](C)C(=O)NC(CC)CC 20363982 375289918 /nfs/dbraw/zinc/28/99/18/375289918.db2.gz UBEMRNURWZVPPL-QMMMGPOBSA-N 0 3 186.299 1.289 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@@H](C)NCC 20363985 375289928 /nfs/dbraw/zinc/28/99/28/375289928.db2.gz YYLYWSLBFNBCEQ-RKDXNWHRSA-N 0 3 186.299 1.289 20 0 ADADHN COCCN(C)Cc1cccc(N)c1 32009009 375292708 /nfs/dbraw/zinc/29/27/08/375292708.db2.gz DWVUOPYTQQLNQF-UHFFFAOYSA-N 0 3 194.278 1.347 20 0 ADADHN CCCN(C)C(=O)[C@@H](N)[C@H](C)CC 27557970 375292871 /nfs/dbraw/zinc/29/28/71/375292871.db2.gz MLYFFGHKVNCDOW-BDAKNGLRSA-N 0 3 186.299 1.228 20 0 ADADHN C[C@@H](O)CCN1Cc2ccccc2C1 50911958 375300853 /nfs/dbraw/zinc/30/08/53/375300853.db2.gz HMEQVBBFLRYGCX-SNVBAGLBSA-N 0 3 191.274 1.773 20 0 ADADHN C[C@H](O)CCN1Cc2ccccc2C1 50911957 375300945 /nfs/dbraw/zinc/30/09/45/375300945.db2.gz HMEQVBBFLRYGCX-JTQLQIEISA-N 0 3 191.274 1.773 20 0 ADADHN OC[C@@H]1CCN(Cc2ccsc2)C1 51887267 375302665 /nfs/dbraw/zinc/30/26/65/375302665.db2.gz BDVTZZSMUDQTQS-SECBINFHSA-N 0 3 197.303 1.562 20 0 ADADHN OC[C@H]1CCN(Cc2ccsc2)C1 51887266 375302754 /nfs/dbraw/zinc/30/27/54/375302754.db2.gz BDVTZZSMUDQTQS-VIFPVBQESA-N 0 3 197.303 1.562 20 0 ADADHN CC[C@H](C(N)=O)N1CCCCCC1 61678872 375307246 /nfs/dbraw/zinc/30/72/46/375307246.db2.gz QLPKLCROTDXATP-SECBINFHSA-N 0 3 184.283 1.126 20 0 ADADHN Cc1ccc(CN2CC[C@@H](O)C2)o1 61707819 375307459 /nfs/dbraw/zinc/30/74/59/375307459.db2.gz PNZDDAXJGDOUEB-SECBINFHSA-N 0 3 181.235 1.155 20 0 ADADHN CC[C@@H](C(N)=O)N1CCCCCC1 61678871 375307761 /nfs/dbraw/zinc/30/77/61/375307761.db2.gz QLPKLCROTDXATP-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN CC[C@@H](C(N)=O)N1CCC(C)(C)CC1 61803737 375308719 /nfs/dbraw/zinc/30/87/19/375308719.db2.gz RDFBBKTXOBCEKT-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](C(N)=O)N1CCC(C)(C)CC1 61803739 375308829 /nfs/dbraw/zinc/30/88/29/375308829.db2.gz RDFBBKTXOBCEKT-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN c1cc(CNC2CCOCC2)co1 62103735 375310712 /nfs/dbraw/zinc/31/07/12/375310712.db2.gz ZMQRZRPESQVADD-UHFFFAOYSA-N 0 3 181.235 1.548 20 0 ADADHN CCC1(C)CCN(C(=O)[C@@H](C)N)CC1 62957850 375313894 /nfs/dbraw/zinc/31/38/94/375313894.db2.gz CMOAEIIEKUVLGV-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CCC1(C)CCN(C(=O)[C@H](C)N)CC1 62957813 375313905 /nfs/dbraw/zinc/31/39/05/375313905.db2.gz CMOAEIIEKUVLGV-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CCC1(C)CCN(C(=O)CNC)CC1 62957918 375313992 /nfs/dbraw/zinc/31/39/92/375313992.db2.gz HHKDJJFKDQGHNT-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C[C@@H]1CN[C@H](Cc2ccccc2)CO1 63219488 375315013 /nfs/dbraw/zinc/31/50/13/375315013.db2.gz OLDFUGLZCZSWQC-ZYHUDNBSSA-N 0 3 191.274 1.606 20 0 ADADHN C[C@@H]1CN[C@@H](Cc2ccccc2)CO1 63219490 375315123 /nfs/dbraw/zinc/31/51/23/375315123.db2.gz OLDFUGLZCZSWQC-PWSUYJOCSA-N 0 3 191.274 1.606 20 0 ADADHN O[C@@H]1CCC[C@H]1NCc1ccsc1 63152913 375315436 /nfs/dbraw/zinc/31/54/36/375315436.db2.gz MBRNNAIUXVJLQK-NXEZZACHSA-N 0 3 197.303 1.751 20 0 ADADHN CC(C)(N)C(=O)NCc1ccsc1 63154662 375315781 /nfs/dbraw/zinc/31/57/81/375315781.db2.gz QWMMEZBQAIPJPU-UHFFFAOYSA-N 0 3 198.291 1.102 20 0 ADADHN CC[C@H](C(N)=O)N1CCCC(C)(C)C1 69793710 375316279 /nfs/dbraw/zinc/31/62/79/375316279.db2.gz APUOYPRUXFDZDK-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H](N)C(=O)N1CCCCC[C@@H]1C 69945013 375318056 /nfs/dbraw/zinc/31/80/56/375318056.db2.gz RMNMPZQAFPLBPT-IUCAKERBSA-N 0 3 184.283 1.125 20 0 ADADHN C[C@H](NC1CCC1)c1nccn1C 70008261 375319480 /nfs/dbraw/zinc/31/94/80/375319480.db2.gz MMIJNBURBWDNAE-QMMMGPOBSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H](NC1CCC1)c1nccn1C 70008265 375319905 /nfs/dbraw/zinc/31/99/05/375319905.db2.gz MMIJNBURBWDNAE-MRVPVSSYSA-N 0 3 179.267 1.623 20 0 ADADHN C[C@@H](NC1CCC1)c1cnccn1 70025767 375320791 /nfs/dbraw/zinc/32/07/91/375320791.db2.gz YXCZKPJRHRLLQK-MRVPVSSYSA-N 0 3 177.251 1.680 20 0 ADADHN C[C@H](NC1CCC1)c1cnccn1 70025766 375321105 /nfs/dbraw/zinc/32/11/05/375321105.db2.gz YXCZKPJRHRLLQK-QMMMGPOBSA-N 0 3 177.251 1.680 20 0 ADADHN C[C@@H](N[C@H]1CC1(C)C)c1cnccn1 70025683 375321183 /nfs/dbraw/zinc/32/11/83/375321183.db2.gz HUBMDCHWXLTNED-SCZZXKLOSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@H](N[C@H]1CC1(C)C)c1cnccn1 70025680 375321192 /nfs/dbraw/zinc/32/11/92/375321192.db2.gz HUBMDCHWXLTNED-WPRPVWTQSA-N 0 3 191.278 1.926 20 0 ADADHN O[C@H]1CCCN(CCC(F)(F)F)C1 70205449 375321813 /nfs/dbraw/zinc/32/18/13/375321813.db2.gz AAVAAPGCCCCEDJ-ZETCQYMHSA-N 0 3 197.200 1.396 20 0 ADADHN CC[C@H](N)C(=O)Nc1ccccc1O 70203960 375322275 /nfs/dbraw/zinc/32/22/75/375322275.db2.gz YDTBDYBZSLZUNQ-ZETCQYMHSA-N 0 3 194.234 1.068 20 0 ADADHN CC(C)(N)C(=O)Nc1ccccc1O 70203971 375322464 /nfs/dbraw/zinc/32/24/64/375322464.db2.gz FDQKXWSRYZODSP-UHFFFAOYSA-N 0 3 194.234 1.068 20 0 ADADHN O[C@@H]1CCCN(CCC(F)(F)F)C1 70205451 375323844 /nfs/dbraw/zinc/32/38/44/375323844.db2.gz AAVAAPGCCCCEDJ-SSDOTTSWSA-N 0 3 197.200 1.396 20 0 ADADHN CCC(=O)N(C)C1CCN(CC)CC1 70225553 375324742 /nfs/dbraw/zinc/32/47/42/375324742.db2.gz CQIADMJRBFLSGL-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CC(=O)N1CCN(CCC(C)C)CC1 70225083 375324846 /nfs/dbraw/zinc/32/48/46/375324846.db2.gz ILELUPATHMMVQI-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCC(=O)NC1CCN(C2CC2)CC1 70225615 375326461 /nfs/dbraw/zinc/32/64/61/375326461.db2.gz HIVXWOKLBSAKBT-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CC(=O)N1CCN(C2CCCC2)CC1 70226054 375327154 /nfs/dbraw/zinc/32/71/54/375327154.db2.gz MTLXJGKZUNXAFK-UHFFFAOYSA-N 0 3 196.294 1.093 20 0 ADADHN CC(=O)Nc1ccc(CN(C)C)cc1 70226283 375327315 /nfs/dbraw/zinc/32/73/15/375327315.db2.gz DRCMOHKOSKNALG-UHFFFAOYSA-N 0 3 192.262 1.707 20 0 ADADHN CC(=O)Nc1cccc(CN(C)C)c1 70226367 375327327 /nfs/dbraw/zinc/32/73/27/375327327.db2.gz IBHJMXHABUGTQD-UHFFFAOYSA-N 0 3 192.262 1.707 20 0 ADADHN CCN1CCC[C@@H](NC(=O)C(C)C)C1 70227553 375329203 /nfs/dbraw/zinc/32/92/03/375329203.db2.gz XBHRDGPQQKYEQY-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCN1CCC[C@H](NC(=O)C(C)C)C1 70227552 375329283 /nfs/dbraw/zinc/32/92/83/375329283.db2.gz XBHRDGPQQKYEQY-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2nccn2C)C1 70644164 375336076 /nfs/dbraw/zinc/33/60/76/375336076.db2.gz OPACOSCTTHFAPV-NXEZZACHSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N 70833822 375338176 /nfs/dbraw/zinc/33/81/76/375338176.db2.gz XSMKKGPRRDAHPQ-YUMQZZPRSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H]([NH3+])CC(=O)Nc1ccccc1[O-] 70609702 375334167 /nfs/dbraw/zinc/33/41/67/375334167.db2.gz HRLYTMDRMMRBCV-SSDOTTSWSA-N 0 3 194.234 1.068 20 0 ADADHN CC(C)[C@H]1CCCN(C(=O)CN)CC1 70613460 375334262 /nfs/dbraw/zinc/33/42/62/375334262.db2.gz QVNINVHHNNHOST-JTQLQIEISA-N 0 3 198.310 1.230 20 0 ADADHN C[C@H]([NH3+])CC(=O)Nc1ccccc1[O-] 70609701 375334339 /nfs/dbraw/zinc/33/43/39/375334339.db2.gz HRLYTMDRMMRBCV-ZETCQYMHSA-N 0 3 194.234 1.068 20 0 ADADHN CC(C)[C@@H]1CCCN(C(=O)CN)CC1 70613459 375334673 /nfs/dbraw/zinc/33/46/73/375334673.db2.gz QVNINVHHNNHOST-SNVBAGLBSA-N 0 3 198.310 1.230 20 0 ADADHN C[C@H]1CC[C@H](NCc2cc[nH]n2)C1 70643604 375335827 /nfs/dbraw/zinc/33/58/27/375335827.db2.gz KGGWGNQXYSISQP-IUCAKERBSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2cc[nH]n2)C1 70643605 375335986 /nfs/dbraw/zinc/33/59/86/375335986.db2.gz KGGWGNQXYSISQP-RKDXNWHRSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2nncn2C)C1 70643457 375336033 /nfs/dbraw/zinc/33/60/33/375336033.db2.gz REMCPXLYINIGIQ-RKDXNWHRSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CC[C@H](NCc2cc[nH]n2)C1 70643603 375336051 /nfs/dbraw/zinc/33/60/51/375336051.db2.gz KGGWGNQXYSISQP-BDAKNGLRSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H]1CC[C@@H](NCc2cc[nH]n2)C1 70643606 375336175 /nfs/dbraw/zinc/33/61/75/375336175.db2.gz KGGWGNQXYSISQP-DTWKUNHWSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H]1CC[C@@H](NCc2nccn2C)C1 70644165 375336222 /nfs/dbraw/zinc/33/62/22/375336222.db2.gz OPACOSCTTHFAPV-VHSXEESVSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H]1CC[C@H](NCc2nccn2C)C1 70644162 375336288 /nfs/dbraw/zinc/33/62/88/375336288.db2.gz OPACOSCTTHFAPV-ZJUUUORDSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H]1CC[C@H](NCc2nncn2C)C1 70643455 375336331 /nfs/dbraw/zinc/33/63/31/375336331.db2.gz REMCPXLYINIGIQ-BDAKNGLRSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CC[C@@H](NCc2nncn2C)C1 70643458 375336670 /nfs/dbraw/zinc/33/66/70/375336670.db2.gz REMCPXLYINIGIQ-DTWKUNHWSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CC[C@H](NCc2nncn2C)C1 70643456 375336692 /nfs/dbraw/zinc/33/66/92/375336692.db2.gz REMCPXLYINIGIQ-IUCAKERBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cnccn1 70828653 375338255 /nfs/dbraw/zinc/33/82/55/375338255.db2.gz CMGYGXILJWOUQS-KOLCDFICSA-N 0 3 191.278 1.755 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cn(C)nn1 70828673 375338268 /nfs/dbraw/zinc/33/82/68/375338268.db2.gz BRETYTMSNGVEIQ-PSASIEDQSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1ncc[nH]1 70829084 375338359 /nfs/dbraw/zinc/33/83/59/375338359.db2.gz VGRLBJYGOCQWCI-DTWKUNHWSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cc[nH]n1 70827562 375338390 /nfs/dbraw/zinc/33/83/90/375338390.db2.gz TXEIDKOBOGRTNY-PSASIEDQSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H](N[C@H]1CCOC1)c1ccccn1 70964410 375341059 /nfs/dbraw/zinc/34/10/59/375341059.db2.gz YSEMVINCRKRWJG-ZJUUUORDSA-N 0 3 192.262 1.521 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cnccn1 70828659 375338496 /nfs/dbraw/zinc/33/84/96/375338496.db2.gz CMGYGXILJWOUQS-MWLCHTKSSA-N 0 3 191.278 1.755 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1ncc[nH]1 70829075 375338533 /nfs/dbraw/zinc/33/85/33/375338533.db2.gz VGRLBJYGOCQWCI-BDAKNGLRSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1ncc[nH]1 70829080 375338609 /nfs/dbraw/zinc/33/86/09/375338609.db2.gz VGRLBJYGOCQWCI-RKDXNWHRSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N 70833821 375338695 /nfs/dbraw/zinc/33/86/95/375338695.db2.gz XSMKKGPRRDAHPQ-SFYZADRCSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cn(C)nn1 70828675 375338728 /nfs/dbraw/zinc/33/87/28/375338728.db2.gz BRETYTMSNGVEIQ-WCBMZHEXSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cnccn1 70828657 375338757 /nfs/dbraw/zinc/33/87/57/375338757.db2.gz CMGYGXILJWOUQS-ONGXEEELSA-N 0 3 191.278 1.755 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cn(C)nn1 70828670 375338768 /nfs/dbraw/zinc/33/87/68/375338768.db2.gz BRETYTMSNGVEIQ-WPRPVWTQSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N 70833825 375338792 /nfs/dbraw/zinc/33/87/92/375338792.db2.gz XSMKKGPRRDAHPQ-HTQZYQBOSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cc[nH]n1 70827567 375338804 /nfs/dbraw/zinc/33/88/04/375338804.db2.gz TXEIDKOBOGRTNY-WCBMZHEXSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 70827555 375338839 /nfs/dbraw/zinc/33/88/39/375338839.db2.gz TXEIDKOBOGRTNY-SCZZXKLOSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cc[nH]n1 70827557 375338909 /nfs/dbraw/zinc/33/89/09/375338909.db2.gz TXEIDKOBOGRTNY-WPRPVWTQSA-N 0 3 179.267 1.688 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cn(C)nn1 70828666 375338926 /nfs/dbraw/zinc/33/89/26/375338926.db2.gz BRETYTMSNGVEIQ-SCZZXKLOSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N 70833827 375338937 /nfs/dbraw/zinc/33/89/37/375338937.db2.gz XSMKKGPRRDAHPQ-JGVFFNPUSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](N[C@@H]1CCOC1)c1cccnc1 70964564 375340657 /nfs/dbraw/zinc/34/06/57/375340657.db2.gz PJJPMCOIIPRJJH-MWLCHTKSSA-N 0 3 192.262 1.521 20 0 ADADHN Cc1ccncc1NC(=O)C(C)(C)N 70959119 375340683 /nfs/dbraw/zinc/34/06/83/375340683.db2.gz NNHDYQXGKPQFTB-UHFFFAOYSA-N 0 3 193.250 1.066 20 0 ADADHN C[C@H](N[C@H]1CCOC1)c1ccccn1 70964406 375340770 /nfs/dbraw/zinc/34/07/70/375340770.db2.gz YSEMVINCRKRWJG-UWVGGRQHSA-N 0 3 192.262 1.521 20 0 ADADHN C[C@H](N[C@@H]1CCOC1)c1cccnc1 70964560 375340848 /nfs/dbraw/zinc/34/08/48/375340848.db2.gz PJJPMCOIIPRJJH-GXSJLCMTSA-N 0 3 192.262 1.521 20 0 ADADHN C[C@@H](N[C@@H]1CCOC1)c1ccccn1 70964403 375340858 /nfs/dbraw/zinc/34/08/58/375340858.db2.gz YSEMVINCRKRWJG-NXEZZACHSA-N 0 3 192.262 1.521 20 0 ADADHN C[C@H](N[C@H]1CCOC1)c1cccnc1 70964568 375341013 /nfs/dbraw/zinc/34/10/13/375341013.db2.gz PJJPMCOIIPRJJH-ONGXEEELSA-N 0 3 192.262 1.521 20 0 ADADHN C[C@H](N[C@@H]1CCOC1)c1ccccn1 70964397 375341165 /nfs/dbraw/zinc/34/11/65/375341165.db2.gz YSEMVINCRKRWJG-VHSXEESVSA-N 0 3 192.262 1.521 20 0 ADADHN C[C@@H](N[C@H]1CCOC1)c1cccnc1 70964572 375341245 /nfs/dbraw/zinc/34/12/45/375341245.db2.gz PJJPMCOIIPRJJH-KOLCDFICSA-N 0 3 192.262 1.521 20 0 ADADHN Cc1ncsc1CN[C@@H]1CCOC1 70969690 375341877 /nfs/dbraw/zinc/34/18/77/375341877.db2.gz UPLYZZWEFGXGPV-MRVPVSSYSA-N 0 3 198.291 1.330 20 0 ADADHN Cc1cccnc1CN[C@@H]1CCOC1 70969727 375341905 /nfs/dbraw/zinc/34/19/05/375341905.db2.gz YXVZSLGLJXDRCC-SNVBAGLBSA-N 0 3 192.262 1.269 20 0 ADADHN Cc1ncsc1CN[C@H]1CCOC1 70969694 375341913 /nfs/dbraw/zinc/34/19/13/375341913.db2.gz UPLYZZWEFGXGPV-QMMMGPOBSA-N 0 3 198.291 1.330 20 0 ADADHN Cc1ccc(CN[C@@H]2CCOC2)cn1 70969548 375341923 /nfs/dbraw/zinc/34/19/23/375341923.db2.gz BDHYCTXRLOLRLJ-LLVKDONJSA-N 0 3 192.262 1.269 20 0 ADADHN Cc1ccc(CN[C@H]2CCOC2)cn1 70969551 375341936 /nfs/dbraw/zinc/34/19/36/375341936.db2.gz BDHYCTXRLOLRLJ-NSHDSACASA-N 0 3 192.262 1.269 20 0 ADADHN Cc1ccc(CN[C@H]2CCOC2)s1 70969052 375341972 /nfs/dbraw/zinc/34/19/72/375341972.db2.gz PJGKOTGUOVMAGV-VIFPVBQESA-N 0 3 197.303 1.935 20 0 ADADHN Cc1cccnc1CN[C@H]1CCOC1 70969729 375342021 /nfs/dbraw/zinc/34/20/21/375342021.db2.gz YXVZSLGLJXDRCC-JTQLQIEISA-N 0 3 192.262 1.269 20 0 ADADHN Cc1ccc(CN[C@@H]2CCOC2)s1 70969050 375342028 /nfs/dbraw/zinc/34/20/28/375342028.db2.gz PJGKOTGUOVMAGV-SECBINFHSA-N 0 3 197.303 1.935 20 0 ADADHN CC(=O)N1CC[C@H](N2CCCCC2)C1 82563483 375364938 /nfs/dbraw/zinc/36/49/38/375364938.db2.gz GAJVQFJAFQPZRQ-NSHDSACASA-N 0 3 196.294 1.093 20 0 ADADHN c1ncc(CN2CCCCC2)[nH]1 78915092 375351163 /nfs/dbraw/zinc/35/11/63/375351163.db2.gz RLHCQVDIQGREED-UHFFFAOYSA-N 0 3 165.240 1.396 20 0 ADADHN CC[C@H](N)C(=O)Nc1cc(C)ccn1 82247664 375351263 /nfs/dbraw/zinc/35/12/63/375351263.db2.gz SYIFDNPKFQFZRC-QMMMGPOBSA-N 0 3 193.250 1.066 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@@H]1C(C)C 82263588 375352690 /nfs/dbraw/zinc/35/26/90/375352690.db2.gz XXZBEBMAMGDAMX-VHSXEESVSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)C(=O)N1CCC[C@@H](N(C)C)C1 82275767 375353649 /nfs/dbraw/zinc/35/36/49/375353649.db2.gz VVQFNWGZYKCSQM-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CC(C)C(=O)N1CCC[C@H](N(C)C)C1 82275766 375353727 /nfs/dbraw/zinc/35/37/27/375353727.db2.gz VVQFNWGZYKCSQM-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CN1CCC[C@@H]1CNC(=O)C(C)(C)C 82277375 375354080 /nfs/dbraw/zinc/35/40/80/375354080.db2.gz YFNNCWLXLKISPV-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CN1CCC[C@H]1C(=O)N1CCCCC1 82301217 375355995 /nfs/dbraw/zinc/35/59/95/375355995.db2.gz UVDHZOXKVVPKAF-JTQLQIEISA-N 0 3 196.294 1.093 20 0 ADADHN CN1CCC[C@@H]1C(=O)N1CCCCC1 82301214 375356270 /nfs/dbraw/zinc/35/62/70/375356270.db2.gz UVDHZOXKVVPKAF-SNVBAGLBSA-N 0 3 196.294 1.093 20 0 ADADHN Cn1cncc1CN[C@H]1CC1(C)C 82394634 375358837 /nfs/dbraw/zinc/35/88/37/375358837.db2.gz KEASUHZWKLPYQF-VIFPVBQESA-N 0 3 179.267 1.308 20 0 ADADHN CCCC(=O)N1CCC[C@@H](N(C)C)C1 82403630 375358925 /nfs/dbraw/zinc/35/89/25/375358925.db2.gz VJCOKPFOYGSCKF-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCCC(=O)N1CCC[C@H](N(C)C)C1 82403629 375358943 /nfs/dbraw/zinc/35/89/43/375358943.db2.gz VJCOKPFOYGSCKF-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCC(=O)N(C)CC1CCN(C)CC1 82425203 375360282 /nfs/dbraw/zinc/36/02/82/375360282.db2.gz PGPZOJJVDWRJFY-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN COC(=O)[C@H](C)N1CCC[C@@H](C)CC1 82489610 375363520 /nfs/dbraw/zinc/36/35/20/375363520.db2.gz PJEUZKNORJKSBU-ZJUUUORDSA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)[C@H](C)N1CCC[C@H](C)CC1 82489612 375363536 /nfs/dbraw/zinc/36/35/36/375363536.db2.gz PJEUZKNORJKSBU-UWVGGRQHSA-N 0 3 199.294 1.670 20 0 ADADHN Cc1ccc([O-])c(C[NH2+]C2CCC2)n1 82560990 375364338 /nfs/dbraw/zinc/36/43/38/375364338.db2.gz UYIPZDCDFNWJMJ-UHFFFAOYSA-N 0 3 192.262 1.738 20 0 ADADHN C[C@H]1CCCN(C(=O)C(C)(C)N)CC1 82490819 375364447 /nfs/dbraw/zinc/36/44/47/375364447.db2.gz AGUABTDSVSCHEK-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CC(=O)N1CC[C@@H](N2CCCCC2)C1 82563484 375365158 /nfs/dbraw/zinc/36/51/58/375365158.db2.gz GAJVQFJAFQPZRQ-LLVKDONJSA-N 0 3 196.294 1.093 20 0 ADADHN C[C@@H]1CCCN(C(=O)C(C)(C)N)CC1 82490817 375365191 /nfs/dbraw/zinc/36/51/91/375365191.db2.gz AGUABTDSVSCHEK-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN CN(CC1CCCC1)C(=O)C(C)(C)N 82492989 375365439 /nfs/dbraw/zinc/36/54/39/375365439.db2.gz BCIGTEHJLUDXOA-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@H](C)CC1 82490689 375365459 /nfs/dbraw/zinc/36/54/59/375365459.db2.gz FRLNQMAFEYWLHR-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@@H](C)CC1 82490692 375365507 /nfs/dbraw/zinc/36/55/07/375365507.db2.gz FRLNQMAFEYWLHR-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](N)C(=O)NCC1(C)CCCC1 82625657 375367958 /nfs/dbraw/zinc/36/79/58/375367958.db2.gz PIUDYLLFDGYNRI-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CC1(CNC(=O)C(C)(C)N)CCCC1 82625718 375368326 /nfs/dbraw/zinc/36/83/26/375368326.db2.gz AONQCDNHFQXMEB-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H](N)C(=O)NCC1(C)CCCC1 82625656 375368680 /nfs/dbraw/zinc/36/86/80/375368680.db2.gz PIUDYLLFDGYNRI-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@@H]1CCC[C@H](NC(=O)CN)C1 82849857 375370991 /nfs/dbraw/zinc/37/09/91/375370991.db2.gz AXGLALVSQZXNMT-BDAKNGLRSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H]1CCC[C@@H](NC(=O)CN)C1 82849860 375371197 /nfs/dbraw/zinc/37/11/97/375371197.db2.gz AXGLALVSQZXNMT-DTWKUNHWSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H]1CCC[C@H](NC(=O)CN)C1 82849858 375371279 /nfs/dbraw/zinc/37/12/79/375371279.db2.gz AXGLALVSQZXNMT-IUCAKERBSA-N 0 3 184.283 1.030 20 0 ADADHN CNCC(=O)NC1C[C@H](C)C[C@@H](C)C1 82835416 375371379 /nfs/dbraw/zinc/37/13/79/375371379.db2.gz BHJKWWFSVWFQFH-RKDXNWHRSA-N 0 3 198.310 1.147 20 0 ADADHN CNCC(=O)NC1C[C@@H](C)C[C@H](C)C1 82835415 375371571 /nfs/dbraw/zinc/37/15/71/375371571.db2.gz BHJKWWFSVWFQFH-IUCAKERBSA-N 0 3 198.310 1.147 20 0 ADADHN CC[C@@H]1CCC[C@@H](NC(=O)CN)C1 82849859 375371747 /nfs/dbraw/zinc/37/17/47/375371747.db2.gz AXGLALVSQZXNMT-RKDXNWHRSA-N 0 3 184.283 1.030 20 0 ADADHN c1coc(CN[C@H]2CCCOCC2)c1 83424154 375375291 /nfs/dbraw/zinc/37/52/91/375375291.db2.gz FGXGZYATTQMWQY-JTQLQIEISA-N 0 3 195.262 1.938 20 0 ADADHN c1coc(CN[C@@H]2CCCOCC2)c1 83424152 375375377 /nfs/dbraw/zinc/37/53/77/375375377.db2.gz FGXGZYATTQMWQY-SNVBAGLBSA-N 0 3 195.262 1.938 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1nncn1C 83390688 375375415 /nfs/dbraw/zinc/37/54/15/375375415.db2.gz NFWJRLALRZHEPH-RKDXNWHRSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1nncn1C 83390686 375375724 /nfs/dbraw/zinc/37/57/24/375375724.db2.gz NFWJRLALRZHEPH-BDAKNGLRSA-N 0 3 194.282 1.093 20 0 ADADHN c1cc(CN[C@H]2CCCOCC2)n[nH]1 83425496 375376069 /nfs/dbraw/zinc/37/60/69/375376069.db2.gz ZAPBAXKQJVVPRV-VIFPVBQESA-N 0 3 195.266 1.068 20 0 ADADHN c1cc(CN[C@@H]2CCCOCC2)n[nH]1 83425495 375376139 /nfs/dbraw/zinc/37/61/39/375376139.db2.gz ZAPBAXKQJVVPRV-SECBINFHSA-N 0 3 195.266 1.068 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1nncn1C 83390687 375376168 /nfs/dbraw/zinc/37/61/68/375376168.db2.gz NFWJRLALRZHEPH-IUCAKERBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1nncn1C 83390689 375376195 /nfs/dbraw/zinc/37/61/95/375376195.db2.gz NFWJRLALRZHEPH-DTWKUNHWSA-N 0 3 194.282 1.093 20 0 ADADHN Cc1nn(C)cc1[C@@H](C)NC1CC1 83569276 375376611 /nfs/dbraw/zinc/37/66/11/375376611.db2.gz CMKJMZXAFAGNBZ-SSDOTTSWSA-N 0 3 179.267 1.542 20 0 ADADHN Cc1nn(C)cc1[C@H](C)NC1CCC1 83569694 375377014 /nfs/dbraw/zinc/37/70/14/375377014.db2.gz JIJSPMSSJQQAHM-QMMMGPOBSA-N 0 3 193.294 1.932 20 0 ADADHN CCN[C@H](C)c1cn(C)nc1C 83569296 375377051 /nfs/dbraw/zinc/37/70/51/375377051.db2.gz VCGPEUAFDDXHCL-SSDOTTSWSA-N 0 3 167.256 1.399 20 0 ADADHN Cc1nn(C)cc1[C@H](C)NC1CC1 83569278 375377142 /nfs/dbraw/zinc/37/71/42/375377142.db2.gz CMKJMZXAFAGNBZ-ZETCQYMHSA-N 0 3 179.267 1.542 20 0 ADADHN Cc1nnsc1CNC(C)C 83575229 375377195 /nfs/dbraw/zinc/37/71/95/375377195.db2.gz BEFAKAMFANLNNH-UHFFFAOYSA-N 0 3 171.269 1.345 20 0 ADADHN Cc1nnsc1CNC1CCCC1 83575239 375377281 /nfs/dbraw/zinc/37/72/81/375377281.db2.gz VMNOXRGTYVSDPM-UHFFFAOYSA-N 0 3 197.307 1.879 20 0 ADADHN Cc1nn(C)cc1[C@@H](C)NC1CCC1 83569691 375377322 /nfs/dbraw/zinc/37/73/22/375377322.db2.gz JIJSPMSSJQQAHM-MRVPVSSYSA-N 0 3 193.294 1.932 20 0 ADADHN c1c[nH]c(CN[C@H]2CCCOCC2)n1 83425846 375377455 /nfs/dbraw/zinc/37/74/55/375377455.db2.gz RBJITIRGDGRUAB-VIFPVBQESA-N 0 3 195.266 1.068 20 0 ADADHN C[C@H](N)C(=O)N1CCCC(C)(C)CC1 83680517 375378218 /nfs/dbraw/zinc/37/82/18/375378218.db2.gz OSRYFYSSWHQLBV-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN CNCC(=O)N1CCCC(C)(C)CC1 83680568 375378310 /nfs/dbraw/zinc/37/83/10/375378310.db2.gz IYNIMWUZMGAGAD-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C[C@H]1CN(CC2(O)CCCC2)CCO1 83587758 375378341 /nfs/dbraw/zinc/37/83/41/375378341.db2.gz FIBQEXRJVTWFCW-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN C[C@@H]1CN(CC2(O)CCCC2)CCO1 83587755 375378407 /nfs/dbraw/zinc/37/84/07/375378407.db2.gz FIBQEXRJVTWFCW-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@@H](N)C(=O)N1CCCC(C)(C)CC1 83680483 375378534 /nfs/dbraw/zinc/37/85/34/375378534.db2.gz OSRYFYSSWHQLBV-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H](C(N)=O)N1CCCC(C)(C)CC1 83680985 375378634 /nfs/dbraw/zinc/37/86/34/375378634.db2.gz SRDLUPGHTQLCKN-SECBINFHSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H](C(N)=O)N1CCCC(C)(C)CC1 83680984 375378922 /nfs/dbraw/zinc/37/89/22/375378922.db2.gz SRDLUPGHTQLCKN-VIFPVBQESA-N 0 3 198.310 1.372 20 0 ADADHN Cc1ccccc1NC(=O)C1(N)CC1 83825523 375381135 /nfs/dbraw/zinc/38/11/35/375381135.db2.gz XSAYFFOJPCGYDC-UHFFFAOYSA-N 0 3 190.246 1.425 20 0 ADADHN NC1(C(=O)NC2CCCCCC2)CC1 83834082 375382206 /nfs/dbraw/zinc/38/22/06/375382206.db2.gz GYIRESSXWRDNFC-UHFFFAOYSA-N 0 3 196.294 1.317 20 0 ADADHN C[C@@H]1CCC[C@H](NC(=O)C2(N)CC2)C1 83834132 375382248 /nfs/dbraw/zinc/38/22/48/375382248.db2.gz PPHLHXXXBXTNHB-BDAKNGLRSA-N 0 3 196.294 1.173 20 0 ADADHN CC1(C)CCN(C(=O)C2(N)CC2)CC1 83835961 375382541 /nfs/dbraw/zinc/38/25/41/375382541.db2.gz OHLYYXGURMPLMJ-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CC[C@H]1CCCN(C(=O)C2(N)CC2)C1 83834389 375382812 /nfs/dbraw/zinc/38/28/12/375382812.db2.gz MAQQKZQTDKCJGP-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN C[C@H]1CCC[C@H](NC(=O)C2(N)CC2)C1 83834134 375382862 /nfs/dbraw/zinc/38/28/62/375382862.db2.gz PPHLHXXXBXTNHB-IUCAKERBSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1 83834136 375383050 /nfs/dbraw/zinc/38/30/50/375383050.db2.gz PPHLHXXXBXTNHB-RKDXNWHRSA-N 0 3 196.294 1.173 20 0 ADADHN CC1(CNC(=O)C2(N)CC2)CCCC1 83836218 375383087 /nfs/dbraw/zinc/38/30/87/375383087.db2.gz SEPKATARHSPRLW-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN CC[C@@H]1CCCN(C(=O)C2(N)CC2)C1 83834386 375383097 /nfs/dbraw/zinc/38/30/97/375383097.db2.gz MAQQKZQTDKCJGP-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@H]1CCCN(C(=O)C2(N)CC2)CC1 83836152 375383144 /nfs/dbraw/zinc/38/31/44/375383144.db2.gz SWZHELZHDRAFDJ-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN CCC1CCN(C(=O)C2(N)CC2)CC1 83834976 375383371 /nfs/dbraw/zinc/38/33/71/375383371.db2.gz DCAQVRUSUPEDHO-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@@H]1CCCN(C(=O)C2(N)CC2)CC1 83836148 375383429 /nfs/dbraw/zinc/38/34/29/375383429.db2.gz SWZHELZHDRAFDJ-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN CC1(C)CCCN(C(=O)C2(N)CC2)C1 83836295 375383466 /nfs/dbraw/zinc/38/34/66/375383466.db2.gz NVVVFOSZZAYDKD-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN OCCN1CCC(C(F)(F)F)CC1 83890154 375384183 /nfs/dbraw/zinc/38/41/83/375384183.db2.gz VEOVVPLMBDVDFA-UHFFFAOYSA-N 0 3 197.200 1.253 20 0 ADADHN Cn1cc(CN[C@@H]2CC=CCC2)nn1 84066329 375386523 /nfs/dbraw/zinc/38/65/23/375386523.db2.gz WTLDSLVSQAUEEU-SECBINFHSA-N 0 3 192.266 1.013 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1ncnn1C 83971044 375386896 /nfs/dbraw/zinc/38/68/96/375386896.db2.gz FHOYNWPSTASXFI-DTWKUNHWSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1OCC[C@@]1(C)NCc1ccco1 230151521 375425755 /nfs/dbraw/zinc/42/57/55/375425755.db2.gz QVOKQXLEXJGUDO-MWLCHTKSSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@@H]1OCC[C@@]1(C)NCc1ccco1 230151517 375425819 /nfs/dbraw/zinc/42/58/19/375425819.db2.gz QVOKQXLEXJGUDO-GXSJLCMTSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@@H]1OCC[C@]1(C)NCc1ccco1 230151527 375425848 /nfs/dbraw/zinc/42/58/48/375425848.db2.gz QVOKQXLEXJGUDO-ONGXEEELSA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H]1OCC[C@]1(C)NCc1ccco1 230151533 375425855 /nfs/dbraw/zinc/42/58/55/375425855.db2.gz QVOKQXLEXJGUDO-KOLCDFICSA-N 0 3 195.262 1.937 20 0 ADADHN C/C(Cl)=C/CN1CCC[C@@H]1CO 238480631 375428681 /nfs/dbraw/zinc/42/86/81/375428681.db2.gz JTLJFATYYNXEIM-USYJTPIQSA-N 0 3 189.686 1.586 20 0 ADADHN C/C(Cl)=C/CN1CCC[C@H]1CO 238480650 375428858 /nfs/dbraw/zinc/42/88/58/375428858.db2.gz JTLJFATYYNXEIM-OTOXVQDCSA-N 0 3 189.686 1.586 20 0 ADADHN N[C@@H](CF)c1ccc(F)c(F)c1 238574064 375429227 /nfs/dbraw/zinc/42/92/27/375429227.db2.gz FTMXIVXJLPHNFN-QMMMGPOBSA-N 0 3 175.153 1.934 20 0 ADADHN C[C@H](N[C@H]1CC12CC2)c1cn[nH]c1 335275473 375486893 /nfs/dbraw/zinc/48/68/93/375486893.db2.gz BEKQOJBXWPOVJI-CBAPKCEASA-N 0 3 177.251 1.613 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1CCC(F)(F)F 306526793 375452543 /nfs/dbraw/zinc/45/25/43/375452543.db2.gz VPSFQEWCIOVGQK-RNFRBKRXSA-N 0 3 197.200 1.394 20 0 ADADHN C[C@@H]1C[C@H](O)CN1CCC(F)(F)F 306526794 375452605 /nfs/dbraw/zinc/45/26/05/375452605.db2.gz VPSFQEWCIOVGQK-RQJHMYQMSA-N 0 3 197.200 1.394 20 0 ADADHN C[C@@H]1OCCN(CC2CCC2)[C@@H]1C 306669510 375457194 /nfs/dbraw/zinc/45/71/94/375457194.db2.gz LEJZYFJOPGRMGZ-ZJUUUORDSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1OCCN(CC2CCC2)[C@H]1C 306669508 375457268 /nfs/dbraw/zinc/45/72/68/375457268.db2.gz LEJZYFJOPGRMGZ-UWVGGRQHSA-N 0 3 183.295 1.896 20 0 ADADHN CNCC(=O)N[C@H]1CC12CCCCC2 306718190 375457873 /nfs/dbraw/zinc/45/78/73/375457873.db2.gz IPEXLQVSQUWBKC-VIFPVBQESA-N 0 3 196.294 1.045 20 0 ADADHN CNCC(=O)N[C@@H]1CC12CCCCC2 306718189 375458016 /nfs/dbraw/zinc/45/80/16/375458016.db2.gz IPEXLQVSQUWBKC-SECBINFHSA-N 0 3 196.294 1.045 20 0 ADADHN CC(C)CN1CC[C@](F)(CO)C1 307298731 375467366 /nfs/dbraw/zinc/46/73/66/375467366.db2.gz UKOQHNLPCJWPAE-SECBINFHSA-N 0 3 175.247 1.049 20 0 ADADHN CC(C)CN1CC[C@@](F)(CO)C1 307298733 375467484 /nfs/dbraw/zinc/46/74/84/375467484.db2.gz UKOQHNLPCJWPAE-VIFPVBQESA-N 0 3 175.247 1.049 20 0 ADADHN C[C@@H]1CN(Cc2ccno2)C[C@H]1C 307583529 375472113 /nfs/dbraw/zinc/47/21/13/375472113.db2.gz YZBBCEHEUHVEAN-RKDXNWHRSA-N 0 3 180.251 1.762 20 0 ADADHN CC[C@H](O)CNCc1cc(C)ccn1 328085263 375479665 /nfs/dbraw/zinc/47/96/65/375479665.db2.gz HJTMSZMAYXZVRE-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@@H](O)CNCc1cc(C)ccn1 328085262 375480350 /nfs/dbraw/zinc/48/03/50/375480350.db2.gz HJTMSZMAYXZVRE-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN CC(C)CN1CCNC(=O)[C@H]1C(C)C 334432380 375483185 /nfs/dbraw/zinc/48/31/85/375483185.db2.gz CHZZWDOMAWYWAL-SNVBAGLBSA-N 0 3 198.310 1.099 20 0 ADADHN C[C@H](N[C@@H]1CC12CC2)c1ccncn1 335247197 375486384 /nfs/dbraw/zinc/48/63/84/375486384.db2.gz BIPZSGUXJGMYID-WCBMZHEXSA-N 0 3 189.262 1.680 20 0 ADADHN C[C@H](N[C@@H]1CC12CC2)c1cn[nH]c1 335275475 375486765 /nfs/dbraw/zinc/48/67/65/375486765.db2.gz BEKQOJBXWPOVJI-IONNQARKSA-N 0 3 177.251 1.613 20 0 ADADHN C[C@H](N[C@H]1CC12CC2)c1ccncn1 335247198 375486839 /nfs/dbraw/zinc/48/68/39/375486839.db2.gz BIPZSGUXJGMYID-WPRPVWTQSA-N 0 3 189.262 1.680 20 0 ADADHN C[C@@H]1C[C@@H](C)N(Cc2nccn2C)C1 336486051 375494090 /nfs/dbraw/zinc/49/40/90/375494090.db2.gz BOOBZPDIGMWODD-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN COCCN(CCO)CC1=CCCC1 401055384 375511622 /nfs/dbraw/zinc/51/16/22/375511622.db2.gz RNBOFFUXBOEPKE-UHFFFAOYSA-N 0 3 199.294 1.037 20 0 ADADHN OCCN(CC1=CCCC1)C1CC1 401035060 375512283 /nfs/dbraw/zinc/51/22/83/375512283.db2.gz GXPRHXIWHNQYQE-UHFFFAOYSA-N 0 3 181.279 1.553 20 0 ADADHN CN(CCOCCO)CC1=CCCC1 401039700 375512391 /nfs/dbraw/zinc/51/23/91/375512391.db2.gz IVIQXOOPYKXCNO-UHFFFAOYSA-N 0 3 199.294 1.037 20 0 ADADHN CC1(O)CN(C[C@H]2CC=CCC2)C1 402236303 375524796 /nfs/dbraw/zinc/52/47/96/375524796.db2.gz BDUCYCUGBVAIOW-JTQLQIEISA-N 0 3 181.279 1.409 20 0 ADADHN CC1(O)CN(C[C@@H]2CC=CCC2)C1 402236307 375524899 /nfs/dbraw/zinc/52/48/99/375524899.db2.gz BDUCYCUGBVAIOW-SNVBAGLBSA-N 0 3 181.279 1.409 20 0 ADADHN CC[C@H](O)CNCc1ccns1 404377011 375532489 /nfs/dbraw/zinc/53/24/89/375532489.db2.gz SODOAAABVOZLQJ-ZETCQYMHSA-N 0 3 186.280 1.004 20 0 ADADHN OCC1(NCc2ccns2)CCC1 404446274 375532544 /nfs/dbraw/zinc/53/25/44/375532544.db2.gz CTYGCUJZRMTWCN-UHFFFAOYSA-N 0 3 198.291 1.148 20 0 ADADHN O[C@@H]1CCC[C@H]1NCc1ccns1 404350301 375532932 /nfs/dbraw/zinc/53/29/32/375532932.db2.gz IWVBNOARVQSITO-RKDXNWHRSA-N 0 3 198.291 1.146 20 0 ADADHN CC[C@@H](O)CNCc1ccns1 404377009 375533133 /nfs/dbraw/zinc/53/31/33/375533133.db2.gz SODOAAABVOZLQJ-SSDOTTSWSA-N 0 3 186.280 1.004 20 0 ADADHN OC1(CNCc2ccns2)CCC1 404463336 375533718 /nfs/dbraw/zinc/53/37/18/375533718.db2.gz QAJIUBCUVYZKFE-UHFFFAOYSA-N 0 3 198.291 1.148 20 0 ADADHN Cc1cc(CN[C@@H]2CCOC2)sn1 404475100 375533692 /nfs/dbraw/zinc/53/36/92/375533692.db2.gz PWTGQYOGCDITFE-MRVPVSSYSA-N 0 3 198.291 1.330 20 0 ADADHN Cc1cc(CNCC2CC2)sn1 404482291 375533904 /nfs/dbraw/zinc/53/39/04/375533904.db2.gz XRLRFLIVENDVIV-UHFFFAOYSA-N 0 3 182.292 1.951 20 0 ADADHN CC[C@H](CO)NCc1ccns1 404459012 375534119 /nfs/dbraw/zinc/53/41/19/375534119.db2.gz YOLAYHYSMAPALI-SSDOTTSWSA-N 0 3 186.280 1.004 20 0 ADADHN CC[C@@H](CO)NCc1ccns1 404459016 375534226 /nfs/dbraw/zinc/53/42/26/375534226.db2.gz YOLAYHYSMAPALI-ZETCQYMHSA-N 0 3 186.280 1.004 20 0 ADADHN Cc1cc(CN[C@H]2CCOC2)sn1 404475101 375534256 /nfs/dbraw/zinc/53/42/56/375534256.db2.gz PWTGQYOGCDITFE-QMMMGPOBSA-N 0 3 198.291 1.330 20 0 ADADHN Cc1ccc(CN(C)C[C@@H](C)O)cn1 405531709 375536162 /nfs/dbraw/zinc/53/61/62/375536162.db2.gz BQUNDCUWTVCINB-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN N[C@]1(c2c(F)cccc2F)C[C@H](O)C1 536958752 375545631 /nfs/dbraw/zinc/54/56/31/375545631.db2.gz GYILNIIZNFBVKM-XGAOUMNUSA-N 0 3 199.200 1.274 20 0 ADADHN CC[C@@H](C(=O)OC)N(CC)CC1CC1 611206201 375568431 /nfs/dbraw/zinc/56/84/31/375568431.db2.gz WXRAIHKJMFATEG-JTQLQIEISA-N 0 3 199.294 1.670 20 0 ADADHN CC[C@H](C(=O)OC)N(CC)CC1CC1 611206204 375568520 /nfs/dbraw/zinc/56/85/20/375568520.db2.gz WXRAIHKJMFATEG-SNVBAGLBSA-N 0 3 199.294 1.670 20 0 ADADHN CCN(Cc1ccsc1)[C@@H](C)CO 646263121 375586826 /nfs/dbraw/zinc/58/68/26/375586826.db2.gz RCNMRIFSZLANSE-VIFPVBQESA-N 0 3 199.319 1.951 20 0 ADADHN CO[C@@H]1COC[C@H]1N[C@@H]1C=CCCC1 646042651 375570290 /nfs/dbraw/zinc/57/02/90/375570290.db2.gz PAMFYXGBOVWOLD-GMTAPVOTSA-N 0 3 197.278 1.099 20 0 ADADHN CO[C@@H]1COC[C@H]1N[C@H]1C=CCCC1 646042652 375570427 /nfs/dbraw/zinc/57/04/27/375570427.db2.gz PAMFYXGBOVWOLD-HBNTYKKESA-N 0 3 197.278 1.099 20 0 ADADHN CC/C=C/CCN(C)CCNC(C)=O 646047315 375571379 /nfs/dbraw/zinc/57/13/79/375571379.db2.gz FPJPWQYSKNWORJ-AATRIKPKSA-N 0 3 198.310 1.411 20 0 ADADHN CCN(CCO)Cc1ccsc1C 646046816 375571159 /nfs/dbraw/zinc/57/11/59/375571159.db2.gz KFEVAZZXFYESQT-UHFFFAOYSA-N 0 3 199.319 1.871 20 0 ADADHN COCCN1CCOC[C@@H]1C1CCC1 646059247 375571309 /nfs/dbraw/zinc/57/13/09/375571309.db2.gz RQZGSYBMEACVND-LLVKDONJSA-N 0 3 199.294 1.134 20 0 ADADHN Cc1sccc1CN(C)CCO 646046829 375571488 /nfs/dbraw/zinc/57/14/88/375571488.db2.gz LYEABUHXGQOGHR-UHFFFAOYSA-N 0 3 185.292 1.481 20 0 ADADHN CC(=O)NCCN(C)CC1=CCCC1 646047500 375571883 /nfs/dbraw/zinc/57/18/83/375571883.db2.gz NHFIPIJBMBOFDF-UHFFFAOYSA-N 0 3 196.294 1.165 20 0 ADADHN CC(=O)NCCN(C)CC=C(C)C 646045106 375571939 /nfs/dbraw/zinc/57/19/39/375571939.db2.gz XJUUJSOZSGRQBQ-UHFFFAOYSA-N 0 3 184.283 1.021 20 0 ADADHN CO[C@@H]1COC[C@H]1NCC1=CCCC1 646044648 375571950 /nfs/dbraw/zinc/57/19/50/375571950.db2.gz OGSNGQAJTSPMBJ-GHMZBOCLSA-N 0 3 197.278 1.100 20 0 ADADHN CC(=O)NCCN(C)CC1(C)CCC1 646047370 375571969 /nfs/dbraw/zinc/57/19/69/375571969.db2.gz SXSVWJTZNHHWBP-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCCCCN(C)CCNC(C)=O 646045562 375572164 /nfs/dbraw/zinc/57/21/64/375572164.db2.gz FKZKBSDUFPRLEM-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CC/C=C\CCN(C)CCNC(C)=O 646047316 375572202 /nfs/dbraw/zinc/57/22/02/375572202.db2.gz FPJPWQYSKNWORJ-WAYWQWQTSA-N 0 3 198.310 1.411 20 0 ADADHN COCCN1CCOC[C@H]1C1CCC1 646059248 375572217 /nfs/dbraw/zinc/57/22/17/375572217.db2.gz RQZGSYBMEACVND-NSHDSACASA-N 0 3 199.294 1.134 20 0 ADADHN CC(=O)NCCN(C)[C@H]1C=CCCC1 646045618 375572235 /nfs/dbraw/zinc/57/22/35/375572235.db2.gz UVZFGAUOHIGQIE-NSHDSACASA-N 0 3 196.294 1.163 20 0 ADADHN CC(=O)NCCN(C)[C@@H]1C=CCCC1 646045617 375572353 /nfs/dbraw/zinc/57/23/53/375572353.db2.gz UVZFGAUOHIGQIE-LLVKDONJSA-N 0 3 196.294 1.163 20 0 ADADHN CCN(C)C(=O)CN(C)C(C)(C)C 646087621 375574848 /nfs/dbraw/zinc/57/48/48/375574848.db2.gz IDYHMCVGHLJYKT-UHFFFAOYSA-N 0 3 186.299 1.195 20 0 ADADHN CC(C)NC(=O)CN(C)C(C)(C)C 646087330 375575455 /nfs/dbraw/zinc/57/54/55/375575455.db2.gz UFKLMVMOYTYAKN-UHFFFAOYSA-N 0 3 186.299 1.241 20 0 ADADHN CN(CC(=O)NCC1CC1)C(C)(C)C 646087785 375575554 /nfs/dbraw/zinc/57/55/54/375575554.db2.gz VQLTXNHMYUZGHG-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CN(C(=O)CN(C)C(C)(C)C)C1CC1 646087661 375575781 /nfs/dbraw/zinc/57/57/81/375575781.db2.gz QQQWUYHXILDOHF-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CCCNC(=O)CN(C)C(C)(C)C 646087274 375575886 /nfs/dbraw/zinc/57/58/86/375575886.db2.gz HQPVIJNDMRQCIP-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN C[C@@H]1CN(CCO)CC2(CCCC2)O1 646132500 375580370 /nfs/dbraw/zinc/58/03/70/375580370.db2.gz ADMMZNQDEWLMNB-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN C[C@H]1CN(CCO)CC2(CCCC2)O1 646132499 375580585 /nfs/dbraw/zinc/58/05/85/375580585.db2.gz ADMMZNQDEWLMNB-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN Cc1sccc1CN(C)C[C@@H](C)O 646161302 375581654 /nfs/dbraw/zinc/58/16/54/375581654.db2.gz WBNBDKNGPWEWJC-MRVPVSSYSA-N 0 3 199.319 1.869 20 0 ADADHN Cc1sccc1CN(C)C[C@H](C)O 646161303 375581743 /nfs/dbraw/zinc/58/17/43/375581743.db2.gz WBNBDKNGPWEWJC-QMMMGPOBSA-N 0 3 199.319 1.869 20 0 ADADHN Cc1sccc1CN(C)CCCO 646186628 375582637 /nfs/dbraw/zinc/58/26/37/375582637.db2.gz ZYGJUSBHXGBERE-UHFFFAOYSA-N 0 3 199.319 1.871 20 0 ADADHN Cc1sccc1CN(C)[C@H](C)CO 646198011 375582649 /nfs/dbraw/zinc/58/26/49/375582649.db2.gz SSMCAFHVYCPZSB-MRVPVSSYSA-N 0 3 199.319 1.869 20 0 ADADHN C[C@H]1CN(C[C@H]2C[C@@H]2C)CCO1 646256340 375586839 /nfs/dbraw/zinc/58/68/39/375586839.db2.gz TVGUQGRLQSWMOG-LPEHRKFASA-N 0 3 169.268 1.363 20 0 ADADHN CCN(Cc1occc1C)[C@@H](C)CO 646263726 375586881 /nfs/dbraw/zinc/58/68/81/375586881.db2.gz OIVRQEHLBZDTOX-JTQLQIEISA-N 0 3 197.278 1.791 20 0 ADADHN C[C@H]1CN(C[C@@H]2C[C@H]2C)CCO1 646256341 375587065 /nfs/dbraw/zinc/58/70/65/375587065.db2.gz TVGUQGRLQSWMOG-UTLUCORTSA-N 0 3 169.268 1.363 20 0 ADADHN CCN(Cc1ccc(C)o1)[C@@H](C)CO 646263128 375587104 /nfs/dbraw/zinc/58/71/04/375587104.db2.gz XPBBSDWNUBSXIA-VIFPVBQESA-N 0 3 197.278 1.791 20 0 ADADHN C[C@H]1CN(C[C@@H]2C[C@@H]2C)CCO1 646256338 375587325 /nfs/dbraw/zinc/58/73/25/375587325.db2.gz TVGUQGRLQSWMOG-GUBZILKMSA-N 0 3 169.268 1.363 20 0 ADADHN CCN(Cc1ccn(C)c1)[C@@H](C)CO 646263736 375587389 /nfs/dbraw/zinc/58/73/89/375587389.db2.gz TYOHTCBVIZJQRK-JTQLQIEISA-N 0 3 196.294 1.228 20 0 ADADHN CCN(Cc1cccn1C)[C@@H](C)CO 646263118 375587449 /nfs/dbraw/zinc/58/74/49/375587449.db2.gz PPAUJSCEQGZPLW-JTQLQIEISA-N 0 3 196.294 1.228 20 0 ADADHN C[C@H]1CN(C[C@H]2C[C@H]2C)CCO1 646256339 375587633 /nfs/dbraw/zinc/58/76/33/375587633.db2.gz TVGUQGRLQSWMOG-KXUCPTDWSA-N 0 3 169.268 1.363 20 0 ADADHN CC[C@H]1CN(C)CCN1CC=C(C)C 646281703 375588644 /nfs/dbraw/zinc/58/86/44/375588644.db2.gz RQZGFAYTTILBTH-LBPRGKRZSA-N 0 3 196.338 1.979 20 0 ADADHN CC[C@@H]1CN(C)CCN1CC=C(C)C 646281702 375588934 /nfs/dbraw/zinc/58/89/34/375588934.db2.gz RQZGFAYTTILBTH-GFCCVEGCSA-N 0 3 196.338 1.979 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCC1 646390663 375591432 /nfs/dbraw/zinc/59/14/32/375591432.db2.gz ZXSJQEMQEONBQN-LPEHRKFASA-N 0 3 196.294 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CCC1 646390662 375591682 /nfs/dbraw/zinc/59/16/82/375591682.db2.gz ZXSJQEMQEONBQN-IVZWLZJFSA-N 0 3 196.294 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCC[C@H](C)C1 646534032 375592467 /nfs/dbraw/zinc/59/24/67/375592467.db2.gz JRFIHTJXHBYPHY-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCC[C@@H](C)C1 646534031 375592764 /nfs/dbraw/zinc/59/27/64/375592764.db2.gz JRFIHTJXHBYPHY-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](N)C(=O)NCCC1(C)CC1 646556156 375593491 /nfs/dbraw/zinc/59/34/91/375593491.db2.gz UPAAOVXBUUHANI-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CC1(CCNC(=O)C2(N)CCC2)CC1 646556084 375593707 /nfs/dbraw/zinc/59/37/07/375593707.db2.gz JTDDFTJQRCJXIL-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN CC(C)[C@@H](N)C(=O)NCCC1(C)CC1 646556158 375593731 /nfs/dbraw/zinc/59/37/31/375593731.db2.gz VHEWYXHVAMWVHZ-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)N(CC1CCC1)C(=O)[C@@H](C)N 646555857 375594028 /nfs/dbraw/zinc/59/40/28/375594028.db2.gz BXNZYKXJBGPPPO-SECBINFHSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)NCCC1(C)CC1 646556157 375594093 /nfs/dbraw/zinc/59/40/93/375594093.db2.gz UPAAOVXBUUHANI-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)[C@H](N)C(=O)NCCC1(C)CC1 646556159 375594190 /nfs/dbraw/zinc/59/41/90/375594190.db2.gz VHEWYXHVAMWVHZ-VIFPVBQESA-N 0 3 198.310 1.276 20 0 ADADHN CNCC(=O)N(CC1CCC1)C(C)C 646555904 375594232 /nfs/dbraw/zinc/59/42/32/375594232.db2.gz RWFPYWAVESGVDK-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N(CC1CCC1)C(=O)[C@H](C)N 646555858 375594283 /nfs/dbraw/zinc/59/42/83/375594283.db2.gz BXNZYKXJBGPPPO-VIFPVBQESA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H]1CC[C@@H]1NCc1ccno1 648023507 375686908 /nfs/dbraw/zinc/68/69/08/375686908.db2.gz IYANWADKPMOHJX-WPRPVWTQSA-N 0 3 180.251 1.953 20 0 ADADHN CNCc1nc(CC2CC2)cs1 647608846 375665028 /nfs/dbraw/zinc/66/50/28/375665028.db2.gz XACOAOAXJFKWIC-UHFFFAOYSA-N 0 3 182.292 1.815 20 0 ADADHN CN1CCN(CCCF)CC1(C)C 647931284 375676499 /nfs/dbraw/zinc/67/64/99/375676499.db2.gz YLQQGOXJURYWHM-UHFFFAOYSA-N 0 3 188.290 1.372 20 0 ADADHN CC(C)CN1CCc2nc[nH]c2C1 647934026 375676523 /nfs/dbraw/zinc/67/65/23/375676523.db2.gz XJLAHYFQPVXLEQ-UHFFFAOYSA-N 0 3 179.267 1.424 20 0 ADADHN CCCCCN1CCc2nc[nH]c2C1 647933967 375676662 /nfs/dbraw/zinc/67/66/62/375676662.db2.gz ROLODWKSMCCDIO-UHFFFAOYSA-N 0 3 193.294 1.958 20 0 ADADHN CCCN1CCc2nc[nH]c2C1 647933000 375676758 /nfs/dbraw/zinc/67/67/58/375676758.db2.gz YANYVRGQIJBALA-UHFFFAOYSA-N 0 3 165.240 1.178 20 0 ADADHN CC[C@@H](C)CN1CCc2nc[nH]c2C1 647933311 375676839 /nfs/dbraw/zinc/67/68/39/375676839.db2.gz JVRXIHYEMZOXRX-SECBINFHSA-N 0 3 193.294 1.814 20 0 ADADHN CC(C)CCN1CCc2nc[nH]c2C1 647933676 375677124 /nfs/dbraw/zinc/67/71/24/375677124.db2.gz XPLGHWOZPFSTJN-UHFFFAOYSA-N 0 3 193.294 1.814 20 0 ADADHN CC[C@H](C)CN1CCc2nc[nH]c2C1 647933312 375677202 /nfs/dbraw/zinc/67/72/02/375677202.db2.gz JVRXIHYEMZOXRX-VIFPVBQESA-N 0 3 193.294 1.814 20 0 ADADHN c1nc2c([nH]1)CN(CC1CC1)CC2 647933356 375677275 /nfs/dbraw/zinc/67/72/75/375677275.db2.gz LMOGPBDLDINJRM-UHFFFAOYSA-N 0 3 177.251 1.178 20 0 ADADHN CCCCN1CCn2cncc2C1 647939428 375677759 /nfs/dbraw/zinc/67/77/59/375677759.db2.gz NSZBUKLLSOJIGM-UHFFFAOYSA-N 0 3 179.267 1.499 20 0 ADADHN CC[C@H]1CN(C)CCN1CCCF 647953715 375677911 /nfs/dbraw/zinc/67/79/11/375677911.db2.gz PCUGHJJUXLGMHI-JTQLQIEISA-N 0 3 188.290 1.372 20 0 ADADHN CCCCCN1CCn2cncc2C1 647940746 375678256 /nfs/dbraw/zinc/67/82/56/375678256.db2.gz WOWAPIBZWALQNR-UHFFFAOYSA-N 0 3 193.294 1.889 20 0 ADADHN CC[C@@H]1CN(C)CCN1CCCF 647953716 375678480 /nfs/dbraw/zinc/67/84/80/375678480.db2.gz PCUGHJJUXLGMHI-SNVBAGLBSA-N 0 3 188.290 1.372 20 0 ADADHN C[C@H]1C[C@H]1CNCc1ccno1 648023422 375685352 /nfs/dbraw/zinc/68/53/52/375685352.db2.gz BIXOVMOOPZLOIO-YUMQZZPRSA-N 0 3 166.224 1.420 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1ccno1 648023421 375685626 /nfs/dbraw/zinc/68/56/26/375685626.db2.gz BIXOVMOOPZLOIO-SFYZADRCSA-N 0 3 166.224 1.420 20 0 ADADHN C[C@@H]1C[C@@H]1CNCc1ccno1 648023419 375685684 /nfs/dbraw/zinc/68/56/84/375685684.db2.gz BIXOVMOOPZLOIO-HTQZYQBOSA-N 0 3 166.224 1.420 20 0 ADADHN C[C@H]1C[C@@H]1CNCc1ccno1 648023420 375685855 /nfs/dbraw/zinc/68/58/55/375685855.db2.gz BIXOVMOOPZLOIO-JGVFFNPUSA-N 0 3 166.224 1.420 20 0 ADADHN CC[C@H]1CC[C@H]1NCc1ccno1 648023506 375686296 /nfs/dbraw/zinc/68/62/96/375686296.db2.gz IYANWADKPMOHJX-WCBMZHEXSA-N 0 3 180.251 1.953 20 0 ADADHN CC[C@@H]1CC[C@H]1NCc1ccno1 648023504 375687011 /nfs/dbraw/zinc/68/70/11/375687011.db2.gz IYANWADKPMOHJX-PSASIEDQSA-N 0 3 180.251 1.953 20 0 ADADHN CC[C@@H]1CC[C@@H]1NCc1ccno1 648023505 375687030 /nfs/dbraw/zinc/68/70/30/375687030.db2.gz IYANWADKPMOHJX-SCZZXKLOSA-N 0 3 180.251 1.953 20 0 ADADHN COCC(C)(C)CNCc1ccno1 648023548 375687088 /nfs/dbraw/zinc/68/70/88/375687088.db2.gz NLMOBWFNXWDENJ-UHFFFAOYSA-N 0 3 198.266 1.437 20 0 ADADHN CN(Cc1cn[nH]c1)C(C)(C)C 648070369 375688731 /nfs/dbraw/zinc/68/87/31/375688731.db2.gz VUFORAWRQBIDKT-UHFFFAOYSA-N 0 3 167.256 1.640 20 0 ADADHN CC1(CN2CC[C@H](F)C2)CC1 648642281 375728123 /nfs/dbraw/zinc/72/81/23/375728123.db2.gz OQAFKHVNISNBDO-QMMMGPOBSA-N 0 3 157.232 1.830 20 0 ADADHN C[C@H]1C[C@@H](C)CCN(C(=O)[C@H](C)N)C1 648166768 375699819 /nfs/dbraw/zinc/69/98/19/375699819.db2.gz PNNVCBNETXHYNC-GUBZILKMSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)[C@H](C)N(C(=O)[C@@H](C)N)C1CC1 648150292 375697896 /nfs/dbraw/zinc/69/78/96/375697896.db2.gz PRIDDFBEORKWQO-BDAKNGLRSA-N 0 3 198.310 1.369 20 0 ADADHN CC(C)[C@H](C)N(C(=O)[C@H](C)N)C1CC1 648150294 375698332 /nfs/dbraw/zinc/69/83/32/375698332.db2.gz PRIDDFBEORKWQO-IUCAKERBSA-N 0 3 198.310 1.369 20 0 ADADHN CNCC(=O)N(C1CC1)[C@H](C)C(C)C 648150273 375698378 /nfs/dbraw/zinc/69/83/78/375698378.db2.gz IWCQPRKAYNMGOV-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CNCC(=O)N(C1CC1)[C@@H](C)C(C)C 648150274 375698419 /nfs/dbraw/zinc/69/84/19/375698419.db2.gz IWCQPRKAYNMGOV-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)[C@@H](C)N(C(=O)[C@H](C)N)C1CC1 648150293 375698447 /nfs/dbraw/zinc/69/84/47/375698447.db2.gz PRIDDFBEORKWQO-DTWKUNHWSA-N 0 3 198.310 1.369 20 0 ADADHN CC(C)[C@@H](C)N(C(=O)[C@@H](C)N)C1CC1 648150295 375698570 /nfs/dbraw/zinc/69/85/70/375698570.db2.gz PRIDDFBEORKWQO-RKDXNWHRSA-N 0 3 198.310 1.369 20 0 ADADHN CCC[C@@H](C)[C@@H]1CCCN1C(=O)CN 648165421 375699341 /nfs/dbraw/zinc/69/93/41/375699341.db2.gz RTALWKFBJOPEGX-ZJUUUORDSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H](N)C(=O)N1CC[C@H](C)C[C@@H](C)C1 648166767 375699360 /nfs/dbraw/zinc/69/93/60/375699360.db2.gz PNNVCBNETXHYNC-AEJSXWLSSA-N 0 3 198.310 1.228 20 0 ADADHN CCC[C@@H](C)[C@H]1CCCN1C(=O)CN 648165418 375699364 /nfs/dbraw/zinc/69/93/64/375699364.db2.gz RTALWKFBJOPEGX-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CC[C@@H]1CCCN1C(=O)CN 648165326 375699377 /nfs/dbraw/zinc/69/93/77/375699377.db2.gz IOLUNVYHMWHNEA-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H](C)[C@@H]1CCCN1C(=O)CN 648165419 375699389 /nfs/dbraw/zinc/69/93/89/375699389.db2.gz RTALWKFBJOPEGX-UWVGGRQHSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CC[C@H]1CCCN1C(=O)CN 648165327 375699438 /nfs/dbraw/zinc/69/94/38/375699438.db2.gz IOLUNVYHMWHNEA-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H](C)[C@H]1CCCN1C(=O)CN 648165420 375699443 /nfs/dbraw/zinc/69/94/43/375699443.db2.gz RTALWKFBJOPEGX-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H]1C[C@@H]1CN(C1CC1)C1COC1 648606655 375723224 /nfs/dbraw/zinc/72/32/24/375723224.db2.gz VPKOGJFRYPQALR-DTWKUNHWSA-N 0 3 181.279 1.506 20 0 ADADHN CN(C(=O)[C@@H]1NCC1(C)C)C(C)(C)C 648203821 375704073 /nfs/dbraw/zinc/70/40/73/375704073.db2.gz GQKCLQCZHJOFJG-QMMMGPOBSA-N 0 3 198.310 1.241 20 0 ADADHN CN(C(=O)[C@H]1NCC1(C)C)C(C)(C)C 648203820 375704130 /nfs/dbraw/zinc/70/41/30/375704130.db2.gz GQKCLQCZHJOFJG-MRVPVSSYSA-N 0 3 198.310 1.241 20 0 ADADHN CCn1nnc(C)c1CNCC(C)C 648401753 375711942 /nfs/dbraw/zinc/71/19/42/375711942.db2.gz SOYMJVHPSUNQMB-UHFFFAOYSA-N 0 3 196.298 1.352 20 0 ADADHN CCCNC(=O)CN1C2CCC1CC2 648211986 375705542 /nfs/dbraw/zinc/70/55/42/375705542.db2.gz VDPAAMFHKVHBFO-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CCN(CCO)Cc1ccncc1C 648347780 375709028 /nfs/dbraw/zinc/70/90/28/375709028.db2.gz LDBBRWLCDIZZBY-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN COCCCNCc1ccncc1F 648402287 375711780 /nfs/dbraw/zinc/71/17/80/375711780.db2.gz RVPMESJDXWPVRU-UHFFFAOYSA-N 0 3 198.241 1.347 20 0 ADADHN CC[C@@H](C)NCc1c(C)nnn1CC 648402737 375712044 /nfs/dbraw/zinc/71/20/44/375712044.db2.gz OVGWBJVMAFRZQS-MRVPVSSYSA-N 0 3 196.298 1.495 20 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20 0 ADADHN C[C@H]1C[C@@H]1CNCc1ccncc1F 648421281 375713491 /nfs/dbraw/zinc/71/34/91/375713491.db2.gz ZUNLMRUNNGGJOF-WCBMZHEXSA-N 0 3 194.253 1.966 20 0 ADADHN C[C@@H]1C[C@H]1CNCc1ccncc1F 648421280 375713503 /nfs/dbraw/zinc/71/35/03/375713503.db2.gz ZUNLMRUNNGGJOF-SCZZXKLOSA-N 0 3 194.253 1.966 20 0 ADADHN CCn1nnc(C)c1CNC(C)(C)C 648496089 375715481 /nfs/dbraw/zinc/71/54/81/375715481.db2.gz KBZYMBUVKYAPDY-UHFFFAOYSA-N 0 3 196.298 1.495 20 0 ADADHN Cc1cnccc1CN(C)C[C@H](C)O 648516440 375716043 /nfs/dbraw/zinc/71/60/43/375716043.db2.gz WGPHIRLWYTZSBK-JTQLQIEISA-N 0 3 194.278 1.203 20 0 ADADHN COc1cc(C)ccc1CNCCO 648495893 375716058 /nfs/dbraw/zinc/71/60/58/375716058.db2.gz HXWDQHLXMWUHMR-UHFFFAOYSA-N 0 3 195.262 1.086 20 0 ADADHN Cc1cnccc1CN(C)C[C@@H](C)O 648516441 375716127 /nfs/dbraw/zinc/71/61/27/375716127.db2.gz WGPHIRLWYTZSBK-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN FCCCNCc1ccncc1F 648478941 375716320 /nfs/dbraw/zinc/71/63/20/375716320.db2.gz BGPBWFVIOBBIBA-UHFFFAOYSA-N 0 3 186.205 1.670 20 0 ADADHN Cc1cnccc1CN(C)CCCO 648567827 375718766 /nfs/dbraw/zinc/71/87/66/375718766.db2.gz IICJITWXYUDPJR-UHFFFAOYSA-N 0 3 194.278 1.204 20 0 ADADHN C[C@H]1C[C@@H](N[C@H](C)CF)[C@H](C)O1 648589122 375718835 /nfs/dbraw/zinc/71/88/35/375718835.db2.gz RMDZQHYNUJXFQK-RYPBNFRJSA-N 0 3 175.247 1.500 20 0 ADADHN C[C@H](CF)N[C@@H]1C[C@@H](C)O[C@@H]1C 648589120 375719158 /nfs/dbraw/zinc/71/91/58/375719158.db2.gz RMDZQHYNUJXFQK-FNCVBFRFSA-N 0 3 175.247 1.500 20 0 ADADHN C[C@@H]1O[C@H](C)C[C@H]1N[C@H](C)CF 648589121 375719395 /nfs/dbraw/zinc/71/93/95/375719395.db2.gz RMDZQHYNUJXFQK-LURQLKTLSA-N 0 3 175.247 1.500 20 0 ADADHN C[C@H]1C[C@@H](N[C@H](C)CF)[C@@H](C)O1 648589119 375719549 /nfs/dbraw/zinc/71/95/49/375719549.db2.gz RMDZQHYNUJXFQK-BZNPZCIMSA-N 0 3 175.247 1.500 20 0 ADADHN CCc1nnc(C[NH2+]C[C@@H]2C[C@H]2C)[n-]1 648603150 375721952 /nfs/dbraw/zinc/72/19/52/375721952.db2.gz NKYKDJQPIGJEHX-SFYZADRCSA-N 0 3 194.282 1.113 20 0 ADADHN CCc1nnc(CNC[C@H]2C[C@H]2C)[nH]1 648603148 375721701 /nfs/dbraw/zinc/72/17/01/375721701.db2.gz NKYKDJQPIGJEHX-HTQZYQBOSA-N 0 3 194.282 1.113 20 0 ADADHN CCc1nnc(C[NH2+]C[C@H]2C[C@H]2C)[n-]1 648603148 375721708 /nfs/dbraw/zinc/72/17/08/375721708.db2.gz NKYKDJQPIGJEHX-HTQZYQBOSA-N 0 3 194.282 1.113 20 0 ADADHN CC(C)N(C[C@H]1C[C@@H]1C)C1COC1 648606444 375721739 /nfs/dbraw/zinc/72/17/39/375721739.db2.gz BUEFRWFTDKUZOC-VHSXEESVSA-N 0 3 183.295 1.752 20 0 ADADHN CCc1nnc(CNC[C@H]2C[C@@H]2C)[nH]1 648603149 375721820 /nfs/dbraw/zinc/72/18/20/375721820.db2.gz NKYKDJQPIGJEHX-JGVFFNPUSA-N 0 3 194.282 1.113 20 0 ADADHN CCc1nnc(C[NH2+]C[C@H]2C[C@@H]2C)[n-]1 648603149 375721831 /nfs/dbraw/zinc/72/18/31/375721831.db2.gz NKYKDJQPIGJEHX-JGVFFNPUSA-N 0 3 194.282 1.113 20 0 ADADHN CC(C)N(C[C@@H]1C[C@@H]1C)C1COC1 648606443 375721902 /nfs/dbraw/zinc/72/19/02/375721902.db2.gz BUEFRWFTDKUZOC-UWVGGRQHSA-N 0 3 183.295 1.752 20 0 ADADHN CCc1nnc(CNC[C@@H]2C[C@H]2C)[nH]1 648603150 375721944 /nfs/dbraw/zinc/72/19/44/375721944.db2.gz NKYKDJQPIGJEHX-SFYZADRCSA-N 0 3 194.282 1.113 20 0 ADADHN CC(C)N(CC1CC1)C1COC1 648606321 375722041 /nfs/dbraw/zinc/72/20/41/375722041.db2.gz TXMXJVDEHMPNPI-UHFFFAOYSA-N 0 3 169.268 1.506 20 0 ADADHN CC(C)N(C[C@@H]1C[C@H]1C)C1COC1 648606445 375722152 /nfs/dbraw/zinc/72/21/52/375722152.db2.gz BUEFRWFTDKUZOC-ZJUUUORDSA-N 0 3 183.295 1.752 20 0 ADADHN CCc1nnc(CNC[C@@H]2C[C@@H]2C)[nH]1 648603151 375722237 /nfs/dbraw/zinc/72/22/37/375722237.db2.gz NKYKDJQPIGJEHX-YUMQZZPRSA-N 0 3 194.282 1.113 20 0 ADADHN CCc1nnc(C[NH2+]C[C@@H]2C[C@@H]2C)[n-]1 648603151 375722242 /nfs/dbraw/zinc/72/22/42/375722242.db2.gz NKYKDJQPIGJEHX-YUMQZZPRSA-N 0 3 194.282 1.113 20 0 ADADHN CC(C)CN(C(C)C)C1COC1 648606322 375722275 /nfs/dbraw/zinc/72/22/75/375722275.db2.gz UIOGZOYANWUYRE-UHFFFAOYSA-N 0 3 171.284 1.752 20 0 ADADHN CC(C)N(C[C@H]1C[C@H]1C)C1COC1 648606442 375722290 /nfs/dbraw/zinc/72/22/90/375722290.db2.gz BUEFRWFTDKUZOC-NXEZZACHSA-N 0 3 183.295 1.752 20 0 ADADHN CC(C)CN(C1CC1)C1COC1 648606648 375722918 /nfs/dbraw/zinc/72/29/18/375722918.db2.gz QTJZOYIDDCCAHE-UHFFFAOYSA-N 0 3 169.268 1.506 20 0 ADADHN CC[C@@H](C)CN(C1CC1)C1COC1 648606631 375722975 /nfs/dbraw/zinc/72/29/75/375722975.db2.gz JDCRJJFIVYNFCU-SECBINFHSA-N 0 3 183.295 1.896 20 0 ADADHN C[C@@H]1C[C@@H]1CN(C1CC1)C1COC1 648606657 375723265 /nfs/dbraw/zinc/72/32/65/375723265.db2.gz VPKOGJFRYPQALR-RKDXNWHRSA-N 0 3 181.279 1.506 20 0 ADADHN C[C@@H]1C[C@H]1CN(C1CC1)C1COC1 648606654 375723439 /nfs/dbraw/zinc/72/34/39/375723439.db2.gz VPKOGJFRYPQALR-BDAKNGLRSA-N 0 3 181.279 1.506 20 0 ADADHN CC(C)CCN(C1CC1)C1COC1 648606630 375723810 /nfs/dbraw/zinc/72/38/10/375723810.db2.gz IZZZJDDZCSJADV-UHFFFAOYSA-N 0 3 183.295 1.896 20 0 ADADHN C1CC1CN(C1CC1)C1COC1 648606480 375723953 /nfs/dbraw/zinc/72/39/53/375723953.db2.gz XNGCBNUBPDGGKD-UHFFFAOYSA-N 0 3 167.252 1.260 20 0 ADADHN CC[C@H](C)CN(C1CC1)C1COC1 648606632 375723968 /nfs/dbraw/zinc/72/39/68/375723968.db2.gz JDCRJJFIVYNFCU-VIFPVBQESA-N 0 3 183.295 1.896 20 0 ADADHN C[C@H]1C[C@H]1CN(C1CC1)C1COC1 648606656 375724031 /nfs/dbraw/zinc/72/40/31/375724031.db2.gz VPKOGJFRYPQALR-IUCAKERBSA-N 0 3 181.279 1.506 20 0 ADADHN C[C@H]1C[C@@H]1CN1CC[C@H](F)C1 648721137 375738212 /nfs/dbraw/zinc/73/82/12/375738212.db2.gz ILGGYQXDAOZXBX-YIZRAAEISA-N 0 3 157.232 1.686 20 0 ADADHN CC[C@H](CO)N(C)Cc1ccn(C)c1 648631577 375726385 /nfs/dbraw/zinc/72/63/85/375726385.db2.gz MFRUWFBZNILLNA-LLVKDONJSA-N 0 3 196.294 1.228 20 0 ADADHN CC[C@H](CO)N(C)Cc1cccn1C 648631595 375726566 /nfs/dbraw/zinc/72/65/66/375726566.db2.gz OCGKSSVZAAMZQW-SNVBAGLBSA-N 0 3 196.294 1.228 20 0 ADADHN CC[C@@H](CO)N(C)Cc1ccn(C)c1 648631583 375726658 /nfs/dbraw/zinc/72/66/58/375726658.db2.gz MFRUWFBZNILLNA-NSHDSACASA-N 0 3 196.294 1.228 20 0 ADADHN CC[C@@H](CO)N(C)Cc1occc1C 648631635 375726960 /nfs/dbraw/zinc/72/69/60/375726960.db2.gz SDDSRYRPVCANIW-JTQLQIEISA-N 0 3 197.278 1.791 20 0 ADADHN CC[C@@H](CO)N(C)Cc1cccn1C 648631594 375727018 /nfs/dbraw/zinc/72/70/18/375727018.db2.gz OCGKSSVZAAMZQW-JTQLQIEISA-N 0 3 196.294 1.228 20 0 ADADHN CC[C@H](CO)N(C)Cc1occc1C 648631638 375727302 /nfs/dbraw/zinc/72/73/02/375727302.db2.gz SDDSRYRPVCANIW-SNVBAGLBSA-N 0 3 197.278 1.791 20 0 ADADHN C[C@H]1C[C@H]1CN1CCOC[C@@H]1C 648638971 375727982 /nfs/dbraw/zinc/72/79/82/375727982.db2.gz YHGILCQRXQINIE-GUBZILKMSA-N 0 3 169.268 1.363 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCOC[C@@H]1C 648638972 375728477 /nfs/dbraw/zinc/72/84/77/375728477.db2.gz YHGILCQRXQINIE-LPEHRKFASA-N 0 3 169.268 1.363 20 0 ADADHN CCC1(NCc2n[nH]cc2C)CC1 648684366 375730459 /nfs/dbraw/zinc/73/04/59/375730459.db2.gz BNESLAOGUPCAHQ-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN CC(C)=CCN(C)CC(C)(C)CO 648690255 375730554 /nfs/dbraw/zinc/73/05/54/375730554.db2.gz GMUUTSHOUMOGBH-UHFFFAOYSA-N 0 3 185.311 1.903 20 0 ADADHN OC[C@@H]1CC[C@H](NCc2ccco2)C1 648699744 375732197 /nfs/dbraw/zinc/73/21/97/375732197.db2.gz KJXLTICNQWDMDX-ZJUUUORDSA-N 0 3 195.262 1.530 20 0 ADADHN Cc1ccoc1CN1CC[C@@H](O)[C@H]1C 648800677 375748520 /nfs/dbraw/zinc/74/85/20/375748520.db2.gz NKEROOXBSHJDLR-NXEZZACHSA-N 0 3 195.262 1.543 20 0 ADADHN CCC=CCNCc1[nH]ncc1C 648716736 375735904 /nfs/dbraw/zinc/73/59/04/375735904.db2.gz OTMZRTWVRYRUTR-PLNGDYQASA-N 0 3 179.267 1.774 20 0 ADADHN CCC=CCNCc1[nH]ncc1C 648716737 375736088 /nfs/dbraw/zinc/73/60/88/375736088.db2.gz OTMZRTWVRYRUTR-SNAWJCMRSA-N 0 3 179.267 1.774 20 0 ADADHN C[C@H]1C[C@H]1CN1CC[C@H](F)C1 648721134 375737284 /nfs/dbraw/zinc/73/72/84/375737284.db2.gz ILGGYQXDAOZXBX-CIUDSAMLSA-N 0 3 157.232 1.686 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CC[C@H](F)C1 648721135 375737427 /nfs/dbraw/zinc/73/74/27/375737427.db2.gz ILGGYQXDAOZXBX-HLTSFMKQSA-N 0 3 157.232 1.686 20 0 ADADHN COCC(C)(C)CN1CC[C@@H](F)C1 648721623 375737439 /nfs/dbraw/zinc/73/74/39/375737439.db2.gz UQXLLBMLEUYSGZ-SECBINFHSA-N 0 3 189.274 1.703 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CC[C@@H](F)C1 648721612 375737464 /nfs/dbraw/zinc/73/74/64/375737464.db2.gz ILGGYQXDAOZXBX-IWSPIJDZSA-N 0 3 157.232 1.686 20 0 ADADHN C[C@@H]1C[C@H]1CN1CC[C@H](F)C1 648721136 375737482 /nfs/dbraw/zinc/73/74/82/375737482.db2.gz ILGGYQXDAOZXBX-VGMNWLOBSA-N 0 3 157.232 1.686 20 0 ADADHN C[C@H]1C[C@@H]1CN1CC[C@@H](F)C1 648721610 375737554 /nfs/dbraw/zinc/73/75/54/375737554.db2.gz ILGGYQXDAOZXBX-DJLDLDEBSA-N 0 3 157.232 1.686 20 0 ADADHN C[C@@H]1C[C@H]1CN1CC[C@@H](F)C1 648721611 375737609 /nfs/dbraw/zinc/73/76/09/375737609.db2.gz ILGGYQXDAOZXBX-HRDYMLBCSA-N 0 3 157.232 1.686 20 0 ADADHN COCC(C)(C)CN1CC[C@H](F)C1 648721149 375737986 /nfs/dbraw/zinc/73/79/86/375737986.db2.gz UQXLLBMLEUYSGZ-VIFPVBQESA-N 0 3 189.274 1.703 20 0 ADADHN C[C@H]1C[C@H]1CN1CC[C@@H](F)C1 648721613 375738130 /nfs/dbraw/zinc/73/81/30/375738130.db2.gz ILGGYQXDAOZXBX-XHNCKOQMSA-N 0 3 157.232 1.686 20 0 ADADHN CC[C@@H]1C[C@H]1CNCc1n[nH]cc1C 648732008 375740718 /nfs/dbraw/zinc/74/07/18/375740718.db2.gz RJKBUVHDPCSWKT-ZJUUUORDSA-N 0 3 193.294 1.854 20 0 ADADHN CC(C)[C@@H]1C[C@H]1CNCc1cc[nH]n1 648767324 375744884 /nfs/dbraw/zinc/74/48/84/375744884.db2.gz MRSFFCOBDZWVNQ-ONGXEEELSA-N 0 3 193.294 1.791 20 0 ADADHN CC(C)[C@@H]1C[C@H]1CNCc1ncc[nH]1 648767319 375745279 /nfs/dbraw/zinc/74/52/79/375745279.db2.gz JHKFWUCYPOURPA-UWVGGRQHSA-N 0 3 193.294 1.791 20 0 ADADHN CC(C)CCCN1CCC[C@@H]1C(N)=O 648764757 375745546 /nfs/dbraw/zinc/74/55/46/375745546.db2.gz UPRFNWRHSBVIKA-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CCn1ccnc1[C@@H](C)NCC1CC1 648773775 375746604 /nfs/dbraw/zinc/74/66/04/375746604.db2.gz HUHDMJVAWJBHCQ-SECBINFHSA-N 0 3 193.294 1.964 20 0 ADADHN CCn1ccnc1[C@H](C)NCC1CC1 648773776 375746857 /nfs/dbraw/zinc/74/68/57/375746857.db2.gz HUHDMJVAWJBHCQ-VIFPVBQESA-N 0 3 193.294 1.964 20 0 ADADHN C[C@@H]1[C@H](O)CCN1Cc1ccsc1 648800850 375747687 /nfs/dbraw/zinc/74/76/87/375747687.db2.gz VMNDRMDAFFBBSN-PSASIEDQSA-N 0 3 197.303 1.703 20 0 ADADHN Cc1ccc(CN2CC[C@@H](O)[C@H]2C)o1 648800469 375747966 /nfs/dbraw/zinc/74/79/66/375747966.db2.gz CWQMSNIVKQDZJX-MWLCHTKSSA-N 0 3 195.262 1.543 20 0 ADADHN CCO[C@@H]1COC[C@H]1NCC=C(C)C 648832119 375748213 /nfs/dbraw/zinc/74/82/13/375748213.db2.gz DTKHBGIOAJZDKW-GHMZBOCLSA-N 0 3 199.294 1.346 20 0 ADADHN C[C@@H]1[C@H](O)CCN1Cc1cccs1 648800435 375748375 /nfs/dbraw/zinc/74/83/75/375748375.db2.gz BQGDIVBCQYDGLZ-PSASIEDQSA-N 0 3 197.303 1.703 20 0 ADADHN C[C@@H]1[C@H](O)CCN1Cc1ccco1 648800802 375748800 /nfs/dbraw/zinc/74/88/00/375748800.db2.gz SWKHSMJJYDGMLY-PSASIEDQSA-N 0 3 181.235 1.235 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccccc1 648848476 375750947 /nfs/dbraw/zinc/75/09/47/375750947.db2.gz YUGNDSKWIUZEMM-JLLWLGSASA-N 0 3 191.274 1.861 20 0 ADADHN COc1cccnc1CNCC1CC1 648846782 375751199 /nfs/dbraw/zinc/75/11/99/375751199.db2.gz SDGZDPPKDPUIBO-UHFFFAOYSA-N 0 3 192.262 1.590 20 0 ADADHN Oc1ccc(CN[C@H]2C[C@@H](O)C2)cc1 648848444 375751541 /nfs/dbraw/zinc/75/15/41/375751541.db2.gz UDNJHMBBAXIEGE-JGZJWPJOSA-N 0 3 193.246 1.005 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccccc1 648848477 375751706 /nfs/dbraw/zinc/75/17/06/375751706.db2.gz YUGNDSKWIUZEMM-ZMLRMANQSA-N 0 3 191.274 1.861 20 0 ADADHN Cc1ccsc1CNCCC(N)=O 35216583 409316222 /nfs/dbraw/zinc/31/62/22/409316222.db2.gz IOYKSQOHQCOMIN-UHFFFAOYSA-N 0 3 198.291 1.022 20 0 ADADHN CCCC(=O)NC[C@@H](C)N1CCCC1 36076904 409316989 /nfs/dbraw/zinc/31/69/89/409316989.db2.gz KZXCUOAESPRCEA-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)C(=O)NC[C@H](C)N1CCCC1 36076910 409317194 /nfs/dbraw/zinc/31/71/94/409317194.db2.gz SOCQPHLHYRVMLF-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)C(=O)NC[C@@H](C)N1CCCC1 36076908 409317612 /nfs/dbraw/zinc/31/76/12/409317612.db2.gz SOCQPHLHYRVMLF-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C1CC1 35733732 409317712 /nfs/dbraw/zinc/31/77/12/409317712.db2.gz SQOTYFLOYNDJJX-WPRPVWTQSA-N 0 3 198.310 1.275 20 0 ADADHN CCCC(=O)NC[C@H](C)N1CCCC1 36076906 409317889 /nfs/dbraw/zinc/31/78/89/409317889.db2.gz KZXCUOAESPRCEA-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H](N)C(=O)N(C)C[C@H](C)CC 36871631 409318497 /nfs/dbraw/zinc/31/84/97/409318497.db2.gz LLNGKYSCGUWFSP-BDAKNGLRSA-N 0 3 186.299 1.228 20 0 ADADHN CCC(CC)NC(=O)[C@H](N)CC 36871028 409318528 /nfs/dbraw/zinc/31/85/28/409318528.db2.gz RYMCCLLKFNQBLV-MRVPVSSYSA-N 0 3 172.272 1.029 20 0 ADADHN CCCN(C(=O)[C@@H](N)CC)C1CC1 36871618 409318565 /nfs/dbraw/zinc/31/85/65/409318565.db2.gz XFIMSMOJDBJGJO-VIFPVBQESA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@@H](N)C(=O)NCC1CCCC1 36871644 409318626 /nfs/dbraw/zinc/31/86/26/409318626.db2.gz QSTJZKLAYZHEMW-SECBINFHSA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H](C)CN(C)C(=O)[C@@H](N)CC 36871632 409318669 /nfs/dbraw/zinc/31/86/69/409318669.db2.gz LLNGKYSCGUWFSP-IUCAKERBSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H](C)CC(C)C 36871648 409318712 /nfs/dbraw/zinc/31/87/12/409318712.db2.gz PSCKKHIGLSWXCJ-DTWKUNHWSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)CN(C)C(=O)[C@H](N)CC 36871630 409318720 /nfs/dbraw/zinc/31/87/20/409318720.db2.gz LLNGKYSCGUWFSP-DTWKUNHWSA-N 0 3 186.299 1.228 20 0 ADADHN CCC[C@H](C)NC(=O)[C@@H](N)CC 36871091 409318836 /nfs/dbraw/zinc/31/88/36/409318836.db2.gz MBLMMLHAXYDYGQ-YUMQZZPRSA-N 0 3 172.272 1.029 20 0 ADADHN CCCCCNC(=O)[C@@H](N)CC 36871179 409319014 /nfs/dbraw/zinc/31/90/14/409319014.db2.gz XIXXJSPHTYNPFE-QMMMGPOBSA-N 0 3 172.272 1.030 20 0 ADADHN CCCCCNC(=O)[C@H](N)CC 36871178 409319061 /nfs/dbraw/zinc/31/90/61/409319061.db2.gz XIXXJSPHTYNPFE-MRVPVSSYSA-N 0 3 172.272 1.030 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C)[C@H](C)C1CC1 36785747 409319084 /nfs/dbraw/zinc/31/90/84/409319084.db2.gz DCDZVPAZSYROGI-SCZZXKLOSA-N 0 3 198.310 1.227 20 0 ADADHN CC(C)[C@@H](N)C(=O)N(C)[C@@H](C)C1CC1 36785745 409319093 /nfs/dbraw/zinc/31/90/93/409319093.db2.gz DCDZVPAZSYROGI-WCBMZHEXSA-N 0 3 198.310 1.227 20 0 ADADHN CCC(CC)NC(=O)[C@@H](N)CC 36871029 409319101 /nfs/dbraw/zinc/31/91/01/409319101.db2.gz RYMCCLLKFNQBLV-QMMMGPOBSA-N 0 3 172.272 1.029 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C 36871332 409319113 /nfs/dbraw/zinc/31/91/13/409319113.db2.gz JLOGSHXFETWDME-GUBZILKMSA-N 0 3 198.310 1.419 20 0 ADADHN CCCN(CCC)C(=O)[C@@H](N)CC 36871065 409319169 /nfs/dbraw/zinc/31/91/69/409319169.db2.gz AFOWGFGNPGQWFN-VIFPVBQESA-N 0 3 186.299 1.372 20 0 ADADHN CC[C@H](N)C(=O)NC(C)(C)CC 36870996 409319255 /nfs/dbraw/zinc/31/92/55/409319255.db2.gz GSZHEUJNSDZBKZ-ZETCQYMHSA-N 0 3 172.272 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H](C)CC(C)C 36871650 409319263 /nfs/dbraw/zinc/31/92/63/409319263.db2.gz PSCKKHIGLSWXCJ-RKDXNWHRSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCC[C@H]1C 36871009 409319294 /nfs/dbraw/zinc/31/92/94/409319294.db2.gz ROQBJPRILSONRW-RKDXNWHRSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@@H](N)C(=O)NC(C)(C)CC 36870997 409319309 /nfs/dbraw/zinc/31/93/09/409319309.db2.gz GSZHEUJNSDZBKZ-SSDOTTSWSA-N 0 3 172.272 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCC[C@H]1CC 36871609 409319319 /nfs/dbraw/zinc/31/93/19/409319319.db2.gz PSDFEEIIPDLLFM-NXEZZACHSA-N 0 3 198.310 1.515 20 0 ADADHN CC[C@H](N)C(=O)N(CC)C1CCCC1 36871745 409319345 /nfs/dbraw/zinc/31/93/45/409319345.db2.gz UHFORXTXMSEPGX-JTQLQIEISA-N 0 3 198.310 1.515 20 0 ADADHN CC[C@H](N)C(=O)N[C@H](C)CC(C)C 36871649 409319361 /nfs/dbraw/zinc/31/93/61/409319361.db2.gz PSCKKHIGLSWXCJ-BDAKNGLRSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H](C)CC(C)C 36871647 409319424 /nfs/dbraw/zinc/31/94/24/409319424.db2.gz PSCKKHIGLSWXCJ-IUCAKERBSA-N 0 3 186.299 1.275 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C)[C@@H](C)C1CC1 36785743 409319458 /nfs/dbraw/zinc/31/94/58/409319458.db2.gz DCDZVPAZSYROGI-WPRPVWTQSA-N 0 3 198.310 1.227 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@@H](N)CC 36871090 409319476 /nfs/dbraw/zinc/31/94/76/409319476.db2.gz MBLMMLHAXYDYGQ-SFYZADRCSA-N 0 3 172.272 1.029 20 0 ADADHN CC[C@H]1CCCCN1C(=O)[C@H](N)CC 36871610 409319611 /nfs/dbraw/zinc/31/96/11/409319611.db2.gz PSDFEEIIPDLLFM-VHSXEESVSA-N 0 3 198.310 1.515 20 0 ADADHN CC(C)NCc1nccn1C(F)F 36804838 409319665 /nfs/dbraw/zinc/31/96/65/409319665.db2.gz VRYIBWANJBOHSY-UHFFFAOYSA-N 0 3 189.209 1.776 20 0 ADADHN CCCCN(CC)C(=O)[C@@H](N)CC 36871279 409319697 /nfs/dbraw/zinc/31/96/97/409319697.db2.gz BMESWZWHSQJKMC-VIFPVBQESA-N 0 3 186.299 1.372 20 0 ADADHN CCCN(C(=O)[C@H](N)CC)C1CC1 36871617 409319735 /nfs/dbraw/zinc/31/97/35/409319735.db2.gz XFIMSMOJDBJGJO-SECBINFHSA-N 0 3 184.283 1.125 20 0 ADADHN CCCCN(CC)C(=O)[C@H](N)CC 36871278 409319797 /nfs/dbraw/zinc/31/97/97/409319797.db2.gz BMESWZWHSQJKMC-SECBINFHSA-N 0 3 186.299 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C 36871331 409319832 /nfs/dbraw/zinc/31/98/32/409319832.db2.gz JLOGSHXFETWDME-IVZWLZJFSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)CN(C)C(=O)[C@H](N)CC 36871629 409319858 /nfs/dbraw/zinc/31/98/58/409319858.db2.gz LLNGKYSCGUWFSP-RKDXNWHRSA-N 0 3 186.299 1.228 20 0 ADADHN CCCN(CCC)C(=O)[C@H](N)CC 36871064 409319869 /nfs/dbraw/zinc/31/98/69/409319869.db2.gz AFOWGFGNPGQWFN-SECBINFHSA-N 0 3 186.299 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N1CCCC[C@@H]1C 36871007 409319881 /nfs/dbraw/zinc/31/98/81/409319881.db2.gz ROQBJPRILSONRW-DTWKUNHWSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1C 36871333 409319982 /nfs/dbraw/zinc/31/99/82/409319982.db2.gz JLOGSHXFETWDME-AEJSXWLSSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)NCC1CCCC1 36871643 409320059 /nfs/dbraw/zinc/32/00/59/409320059.db2.gz QSTJZKLAYZHEMW-VIFPVBQESA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@H]1CCCC[C@@H]1NC(=O)CNC 37027324 409320873 /nfs/dbraw/zinc/32/08/73/409320873.db2.gz RLECBEKNANQEND-UWVGGRQHSA-N 0 3 198.310 1.291 20 0 ADADHN CCCN(C)C(=O)[C@@H](N)CC(C)C 37098519 409321060 /nfs/dbraw/zinc/32/10/60/409321060.db2.gz JUXJEVIRWUZOTB-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN COCCCOc1ccccc1CN 37050767 409321075 /nfs/dbraw/zinc/32/10/75/409321075.db2.gz UVWCSWKCSUGCBS-UHFFFAOYSA-N 0 3 195.262 1.561 20 0 ADADHN CC[C@@H]1CCCN(C(=O)[C@H](N)CC)C1 36871865 409321097 /nfs/dbraw/zinc/32/10/97/409321097.db2.gz IACYXDCFOMVPLV-NXEZZACHSA-N 0 3 198.310 1.372 20 0 ADADHN CCCN(CC1CC1)C(=O)[C@H](N)CC 36871887 409321238 /nfs/dbraw/zinc/32/12/38/409321238.db2.gz JGHBOLRIXFONRF-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N 37027290 409321452 /nfs/dbraw/zinc/32/14/52/409321452.db2.gz GVVGUPJGZZRTRV-KXUCPTDWSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H]1CCCC[C@@H]1NC(=O)CNC 37027323 409321719 /nfs/dbraw/zinc/32/17/19/409321719.db2.gz RLECBEKNANQEND-ZJUUUORDSA-N 0 3 198.310 1.291 20 0 ADADHN CCCN(CC1CC1)C(=O)[C@@H](N)CC 36871888 409322032 /nfs/dbraw/zinc/32/20/32/409322032.db2.gz JGHBOLRIXFONRF-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](NC[C@@H](C)O)c1ccncc1 651175479 409322193 /nfs/dbraw/zinc/32/21/93/409322193.db2.gz YGZNNIJHMVPVDQ-MWLCHTKSSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@@H]1CCCC[C@H]1NC(=O)CNC 37027325 409322241 /nfs/dbraw/zinc/32/22/41/409322241.db2.gz RLECBEKNANQEND-NXEZZACHSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@@H](N)C(=O)N(CC)C1CCCC1 36871746 409322296 /nfs/dbraw/zinc/32/22/96/409322296.db2.gz UHFORXTXMSEPGX-SNVBAGLBSA-N 0 3 198.310 1.515 20 0 ADADHN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N 37027287 409322345 /nfs/dbraw/zinc/32/23/45/409322345.db2.gz GVVGUPJGZZRTRV-BBBLOLIVSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](NC[C@H](C)O)c1ccncc1 651175480 409322437 /nfs/dbraw/zinc/32/24/37/409322437.db2.gz YGZNNIJHMVPVDQ-ONGXEEELSA-N 0 3 194.278 1.503 20 0 ADADHN CCCN(CC)C(=O)[C@H]1CCCCN1 37095129 409322490 /nfs/dbraw/zinc/32/24/90/409322490.db2.gz BWLHNTNUWOQTKU-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCN(CC)C(=O)[C@H](N)C(C)C 37095117 409322511 /nfs/dbraw/zinc/32/25/11/409322511.db2.gz CKTYZVYMNJSTHJ-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](NC[C@H](C)O)c1ccncc1 651175477 409322661 /nfs/dbraw/zinc/32/26/61/409322661.db2.gz YGZNNIJHMVPVDQ-GXSJLCMTSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](NC[C@@H](C)O)c1ccncc1 651175478 409322683 /nfs/dbraw/zinc/32/26/83/409322683.db2.gz YGZNNIJHMVPVDQ-KOLCDFICSA-N 0 3 194.278 1.503 20 0 ADADHN CCCN(CC)C(=O)[C@@H](N)C(C)C 37095118 409322696 /nfs/dbraw/zinc/32/26/96/409322696.db2.gz CKTYZVYMNJSTHJ-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H]1CCCN(C(=O)[C@H](N)CC)C1 36871866 409322736 /nfs/dbraw/zinc/32/27/36/409322736.db2.gz IACYXDCFOMVPLV-VHSXEESVSA-N 0 3 198.310 1.372 20 0 ADADHN CCCN(C)C(=O)[C@H](N)CC(C)C 37098518 409322819 /nfs/dbraw/zinc/32/28/19/409322819.db2.gz JUXJEVIRWUZOTB-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N 37027288 409322890 /nfs/dbraw/zinc/32/28/90/409322890.db2.gz GVVGUPJGZZRTRV-UTLUCORTSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N 37027289 409322948 /nfs/dbraw/zinc/32/29/48/409322948.db2.gz GVVGUPJGZZRTRV-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN CCCN(CC)C(=O)[C@@H]1CCCCN1 37095128 409322964 /nfs/dbraw/zinc/32/29/64/409322964.db2.gz BWLHNTNUWOQTKU-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC[C@H]1CCCC[C@H]1NC(=O)CNC 37027326 409323045 /nfs/dbraw/zinc/32/30/45/409323045.db2.gz RLECBEKNANQEND-VHSXEESVSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@@H](N[C@@H](C)CO)c1ccncc1 651238044 409323581 /nfs/dbraw/zinc/32/35/81/409323581.db2.gz HFZBHAMBSQPYQR-GXSJLCMTSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](N[C@H](C)CO)c1ccncc1 651198749 409323910 /nfs/dbraw/zinc/32/39/10/409323910.db2.gz HFZBHAMBSQPYQR-KOLCDFICSA-N 0 3 194.278 1.503 20 0 ADADHN CC[C@H](C)N(C)CC(C)=O 37335939 409324079 /nfs/dbraw/zinc/32/40/79/409324079.db2.gz XNCVYFGCEJVPLQ-ZETCQYMHSA-N 0 3 143.230 1.306 20 0 ADADHN CC[C@@H](N[C@H](C)CO)c1ccncc1 651198750 409324082 /nfs/dbraw/zinc/32/40/82/409324082.db2.gz HFZBHAMBSQPYQR-MWLCHTKSSA-N 0 3 194.278 1.503 20 0 ADADHN CCn1ccnc1[C@@H](C)NCCCF 651272022 409324189 /nfs/dbraw/zinc/32/41/89/409324189.db2.gz ISCRRHYLBHVADP-SECBINFHSA-N 0 3 199.273 1.913 20 0 ADADHN CC[C@H](N[C@@H](C)CO)c1ccncc1 651238045 409324243 /nfs/dbraw/zinc/32/42/43/409324243.db2.gz HFZBHAMBSQPYQR-ONGXEEELSA-N 0 3 194.278 1.503 20 0 ADADHN CCn1ccnc1[C@H](C)NCCCF 651272023 409324894 /nfs/dbraw/zinc/32/48/94/409324894.db2.gz ISCRRHYLBHVADP-VIFPVBQESA-N 0 3 199.273 1.913 20 0 ADADHN CC(C)CN(C)C(=O)[C@H](N)C(C)C 37108605 409325322 /nfs/dbraw/zinc/32/53/22/409325322.db2.gz DOVGJJSQKXBKAX-SECBINFHSA-N 0 3 186.299 1.084 20 0 ADADHN CC(C)[C@H](N)C(=O)NCC1CCCC1 37258774 409325390 /nfs/dbraw/zinc/32/53/90/409325390.db2.gz YLRFMSYLOZCEGA-JTQLQIEISA-N 0 3 198.310 1.276 20 0 ADADHN CCCN(CC)CC(C)=O 37334887 409325412 /nfs/dbraw/zinc/32/54/12/409325412.db2.gz ZULUGWHQNAJDSP-UHFFFAOYSA-N 0 3 143.230 1.307 20 0 ADADHN CC[C@@H](C)CN(C)CC(C)=O 37337013 409325438 /nfs/dbraw/zinc/32/54/38/409325438.db2.gz VUXFXJZBDBRZPV-MRVPVSSYSA-N 0 3 157.257 1.553 20 0 ADADHN CCC[C@@H](C)N(C)CC(C)=O 37339241 409325551 /nfs/dbraw/zinc/32/55/51/409325551.db2.gz LCVRZTGVNKYPFP-MRVPVSSYSA-N 0 3 157.257 1.696 20 0 ADADHN Cc1cc(CN[C@H](C)CCO)ccn1 651388359 409325689 /nfs/dbraw/zinc/32/56/89/409325689.db2.gz LNYILWQAUACSQL-SECBINFHSA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@H](C)N(CC)CC(C)=O 37336504 409325705 /nfs/dbraw/zinc/32/57/05/409325705.db2.gz OTAKLRZVSCUIPD-QMMMGPOBSA-N 0 3 157.257 1.696 20 0 ADADHN CC(C)[C@@H](N)C(=O)NCC1CCCC1 37258776 409326197 /nfs/dbraw/zinc/32/61/97/409326197.db2.gz YLRFMSYLOZCEGA-SNVBAGLBSA-N 0 3 198.310 1.276 20 0 ADADHN CCC[C@H](C)N(C)CC(C)=O 37339242 409326246 /nfs/dbraw/zinc/32/62/46/409326246.db2.gz LCVRZTGVNKYPFP-QMMMGPOBSA-N 0 3 157.257 1.696 20 0 ADADHN CC[C@H](C)CN(C)CC(C)=O 37337015 409326273 /nfs/dbraw/zinc/32/62/73/409326273.db2.gz VUXFXJZBDBRZPV-QMMMGPOBSA-N 0 3 157.257 1.553 20 0 ADADHN CC[C@@H](C)N(CC)CC(C)=O 37336502 409326377 /nfs/dbraw/zinc/32/63/77/409326377.db2.gz OTAKLRZVSCUIPD-MRVPVSSYSA-N 0 3 157.257 1.696 20 0 ADADHN Cc1cc(CN[C@@H](C)CCO)ccn1 651388360 409326398 /nfs/dbraw/zinc/32/63/98/409326398.db2.gz LNYILWQAUACSQL-VIFPVBQESA-N 0 3 194.278 1.251 20 0 ADADHN CCCN(CC(C)=O)C1CC1 37335286 409326852 /nfs/dbraw/zinc/32/68/52/409326852.db2.gz PALJBPKOCOMHDE-UHFFFAOYSA-N 0 3 155.241 1.450 20 0 ADADHN CCCN(CC(C)=O)C(C)C 37335094 409326978 /nfs/dbraw/zinc/32/69/78/409326978.db2.gz WQWNDWXHTVRRSW-UHFFFAOYSA-N 0 3 157.257 1.696 20 0 ADADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cn[nH]c1 651348664 409327011 /nfs/dbraw/zinc/32/70/11/409327011.db2.gz XKLWVOWJAFQEBF-HLTSFMKQSA-N 0 3 197.282 1.484 20 0 ADADHN CC[C@@H](C)N(C)CC(C)=O 37335937 409327063 /nfs/dbraw/zinc/32/70/63/409327063.db2.gz XNCVYFGCEJVPLQ-SSDOTTSWSA-N 0 3 143.230 1.306 20 0 ADADHN CCCN(C(=O)CNC1CC1)C1CC1 37476935 409327921 /nfs/dbraw/zinc/32/79/21/409327921.db2.gz NFZURVKYEZHFRP-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN O=C(CNC1CC1)NCC1CCCC1 37476946 409328369 /nfs/dbraw/zinc/32/83/69/409328369.db2.gz NDQOXNUQYMVAHP-UHFFFAOYSA-N 0 3 196.294 1.045 20 0 ADADHN CC[C@H](C)CN(C)C(=O)CNC1CC1 37476942 409328796 /nfs/dbraw/zinc/32/87/96/409328796.db2.gz ODXRZLOFDXMUDH-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)CN(C)C(=O)CNC1CC1 37476941 409328835 /nfs/dbraw/zinc/32/88/35/409328835.db2.gz ODXRZLOFDXMUDH-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)C[C@@H](C)NC(=O)CNC1CC1 37476947 409329226 /nfs/dbraw/zinc/32/92/26/409329226.db2.gz DSXFQSDREGFZGL-SECBINFHSA-N 0 3 198.310 1.289 20 0 ADADHN CC(C)C[C@H](C)NC(=O)CNC1CC1 37476948 409329437 /nfs/dbraw/zinc/32/94/37/409329437.db2.gz DSXFQSDREGFZGL-VIFPVBQESA-N 0 3 198.310 1.289 20 0 ADADHN CCCCNC(=O)[C@@](C)(N)CCC 37481212 409330343 /nfs/dbraw/zinc/33/03/43/409330343.db2.gz VAYPLRRLTZZTCO-JTQLQIEISA-N 0 3 186.299 1.420 20 0 ADADHN CCC[C@@](C)(N)C(=O)NCC1CC1 37481192 409330602 /nfs/dbraw/zinc/33/06/02/409330602.db2.gz LUVSFRFMUARMTR-SNVBAGLBSA-N 0 3 184.283 1.030 20 0 ADADHN CCN(CC(C)C)C(=O)CNC1CC1 37654653 409330680 /nfs/dbraw/zinc/33/06/80/409330680.db2.gz APRAEKQJWGHTNA-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCC[C@@H](C)N(C)C(=O)CNC1CC1 37654664 409330797 /nfs/dbraw/zinc/33/07/97/409330797.db2.gz AMLRMSBXNZFNAP-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCC[C@@](C)(N)C(=O)N[C@@H](C)CC 37481156 409330873 /nfs/dbraw/zinc/33/08/73/409330873.db2.gz HTWIEWDNTPIUIQ-WCBMZHEXSA-N 0 3 186.299 1.419 20 0 ADADHN CCCNC(=O)[C@@](C)(N)CCC 37481131 409330917 /nfs/dbraw/zinc/33/09/17/409330917.db2.gz ZCYBAWIXLIKLSI-VIFPVBQESA-N 0 3 172.272 1.030 20 0 ADADHN CCC[C@](C)(N)C(=O)N[C@H](C)CC 37481157 409331117 /nfs/dbraw/zinc/33/11/17/409331117.db2.gz HTWIEWDNTPIUIQ-SCZZXKLOSA-N 0 3 186.299 1.419 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@H](C)C1 37507191 409331183 /nfs/dbraw/zinc/33/11/83/409331183.db2.gz ZEYAZKOPZNHHPC-IVZWLZJFSA-N 0 3 198.310 1.419 20 0 ADADHN CCC[C@@](C)(N)C(=O)N(CC)CC 37481140 409331268 /nfs/dbraw/zinc/33/12/68/409331268.db2.gz HMTVQOIBZLLOAA-SNVBAGLBSA-N 0 3 186.299 1.372 20 0 ADADHN CCC[C@@](C)(N)C(=O)NCC(C)C 37481162 409331314 /nfs/dbraw/zinc/33/13/14/409331314.db2.gz FBAWVAHBJVBZRT-SNVBAGLBSA-N 0 3 186.299 1.276 20 0 ADADHN CCC[C@@](C)(N)C(=O)N[C@H](C)CC 37481158 409331421 /nfs/dbraw/zinc/33/14/21/409331421.db2.gz HTWIEWDNTPIUIQ-PSASIEDQSA-N 0 3 186.299 1.419 20 0 ADADHN CC[C@@H](N)C(=O)N(CC)CC(C)C 37507189 409331455 /nfs/dbraw/zinc/33/14/55/409331455.db2.gz ARYCGMRPKUFDGU-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CCC[C@H](C)N(C)C(=O)CNC1CC1 37654665 409331538 /nfs/dbraw/zinc/33/15/38/409331538.db2.gz AMLRMSBXNZFNAP-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCC[C@H](C)C1 37507193 409331551 /nfs/dbraw/zinc/33/15/51/409331551.db2.gz ZEYAZKOPZNHHPC-LPEHRKFASA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](N)C(=O)N(C)C1CCCC1 37507183 409331573 /nfs/dbraw/zinc/33/15/73/409331573.db2.gz URYFFMLNBBOIRB-SECBINFHSA-N 0 3 184.283 1.125 20 0 ADADHN CN(C(=O)CNC1CC1)C1CCCC1 37654650 409331577 /nfs/dbraw/zinc/33/15/77/409331577.db2.gz JGXBPVCBFXZSEU-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CCCN(C)C(=O)[C@@](C)(N)CCC 37481355 409331587 /nfs/dbraw/zinc/33/15/87/409331587.db2.gz NPMWJBWHUCGMSA-JTQLQIEISA-N 0 3 186.299 1.372 20 0 ADADHN CCC[C@](C)(N)C(=O)NCC1CCC1 37481373 409331594 /nfs/dbraw/zinc/33/15/94/409331594.db2.gz KTNFBPMQNGBDMA-NSHDSACASA-N 0 3 198.310 1.420 20 0 ADADHN CCCNC(=O)[C@](C)(N)CCC 37481132 409331658 /nfs/dbraw/zinc/33/16/58/409331658.db2.gz ZCYBAWIXLIKLSI-SECBINFHSA-N 0 3 172.272 1.030 20 0 ADADHN CC[C@@H](C)NCc1ncccc1OC 651476422 409332014 /nfs/dbraw/zinc/33/20/14/409332014.db2.gz JGQHXVXVEOYUNB-SECBINFHSA-N 0 3 194.278 1.978 20 0 ADADHN CCC[C@](C)(N)C(=O)N[C@@H](C)CC 37481155 409331720 /nfs/dbraw/zinc/33/17/20/409331720.db2.gz HTWIEWDNTPIUIQ-WPRPVWTQSA-N 0 3 186.299 1.419 20 0 ADADHN CCC[C@@](C)(N)C(=O)NCC1CCC1 37481374 409331783 /nfs/dbraw/zinc/33/17/83/409331783.db2.gz KTNFBPMQNGBDMA-LLVKDONJSA-N 0 3 198.310 1.420 20 0 ADADHN CCC[C@@H](C)N(C)C(=O)[C@@H](N)CC 37507212 409331815 /nfs/dbraw/zinc/33/18/15/409331815.db2.gz URGTYELEADWJLU-BDAKNGLRSA-N 0 3 186.299 1.371 20 0 ADADHN Cc1ccc([C@H](C)N[C@H]2C[C@@H](O)C2)o1 651477396 409331816 /nfs/dbraw/zinc/33/18/16/409331816.db2.gz CBHUKFIMQPUWHZ-LPEHRKFASA-N 0 3 195.262 1.762 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1cccs1 651477455 409331825 /nfs/dbraw/zinc/33/18/25/409331825.db2.gz WBANUCGUZBLXLQ-HLTSFMKQSA-N 0 3 197.303 1.922 20 0 ADADHN CCC[C@H](C)N(C)C(=O)[C@@H](N)CC 37507213 409331960 /nfs/dbraw/zinc/33/19/60/409331960.db2.gz URGTYELEADWJLU-IUCAKERBSA-N 0 3 186.299 1.371 20 0 ADADHN CCC[C@](C)(N)C(=O)N(CC)CC 37481139 409331972 /nfs/dbraw/zinc/33/19/72/409331972.db2.gz HMTVQOIBZLLOAA-JTQLQIEISA-N 0 3 186.299 1.372 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccco1 651477461 409332006 /nfs/dbraw/zinc/33/20/06/409332006.db2.gz YGSCVTTXOLWOFT-XHNCKOQMSA-N 0 3 181.235 1.454 20 0 ADADHN CCCN(CC)C(=O)C1(N)CCCC1 37479449 409332046 /nfs/dbraw/zinc/33/20/46/409332046.db2.gz CHEZFOKVGOSQSO-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN CCC(CC)NC(=O)C1(N)CCCC1 37479353 409332111 /nfs/dbraw/zinc/33/21/11/409332111.db2.gz XDJYCTWLOHHKOK-UHFFFAOYSA-N 0 3 198.310 1.563 20 0 ADADHN O[C@H]1CCC[C@@H]1NCc1ccco1 37489860 409332176 /nfs/dbraw/zinc/33/21/76/409332176.db2.gz RZNZIBUOFIQOEW-UWVGGRQHSA-N 0 3 181.235 1.283 20 0 ADADHN CCC[C@](C)(N)C(=O)NCC1CC1 37481191 409332199 /nfs/dbraw/zinc/33/21/99/409332199.db2.gz LUVSFRFMUARMTR-JTQLQIEISA-N 0 3 184.283 1.030 20 0 ADADHN CCCCNC(=O)[C@](C)(N)CCC 37481211 409332233 /nfs/dbraw/zinc/33/22/33/409332233.db2.gz VAYPLRRLTZZTCO-SNVBAGLBSA-N 0 3 186.299 1.420 20 0 ADADHN O[C@H]1CCC[C@@H]1NCc1cccnc1 37489928 409332247 /nfs/dbraw/zinc/33/22/47/409332247.db2.gz NNQWLCQDQMBKDL-QWRGUYRKSA-N 0 3 192.262 1.085 20 0 ADADHN CCCN(C)C(=O)[C@](C)(N)CCC 37481356 409332272 /nfs/dbraw/zinc/33/22/72/409332272.db2.gz NPMWJBWHUCGMSA-SNVBAGLBSA-N 0 3 186.299 1.372 20 0 ADADHN CC[C@H](N)C(=O)N(CC)CC(C)C 37507188 409332392 /nfs/dbraw/zinc/33/23/92/409332392.db2.gz ARYCGMRPKUFDGU-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN CCC[C@](C)(N)C(=O)NCC(C)C 37481161 409332515 /nfs/dbraw/zinc/33/25/15/409332515.db2.gz FBAWVAHBJVBZRT-JTQLQIEISA-N 0 3 186.299 1.276 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccsc1 651476706 409332613 /nfs/dbraw/zinc/33/26/13/409332613.db2.gz STJODJHZZSLCDD-QNSHHTMESA-N 0 3 197.303 1.922 20 0 ADADHN C[C@@H](N[C@@H]1CCC[C@H]1O)c1ccoc1 651498371 409332639 /nfs/dbraw/zinc/33/26/39/409332639.db2.gz LZULDDJIAFNXGW-FBIMIBRVSA-N 0 3 195.262 1.844 20 0 ADADHN CC[C@H](C)NCc1ncccc1OC 651476423 409332648 /nfs/dbraw/zinc/33/26/48/409332648.db2.gz JGQHXVXVEOYUNB-VIFPVBQESA-N 0 3 194.278 1.978 20 0 ADADHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H](O)C2)o1 651477395 409332660 /nfs/dbraw/zinc/33/26/60/409332660.db2.gz CBHUKFIMQPUWHZ-BBBLOLIVSA-N 0 3 195.262 1.762 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccoc1 651476690 409332756 /nfs/dbraw/zinc/33/27/56/409332756.db2.gz NMIWEPPOZPZCGV-QNSHHTMESA-N 0 3 181.235 1.454 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccoc1 651476691 409332797 /nfs/dbraw/zinc/33/27/97/409332797.db2.gz NMIWEPPOZPZCGV-UJNFCWOMSA-N 0 3 181.235 1.454 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccsc1 651476707 409332805 /nfs/dbraw/zinc/33/28/05/409332805.db2.gz STJODJHZZSLCDD-UJNFCWOMSA-N 0 3 197.303 1.922 20 0 ADADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1cccs1 651477456 409332818 /nfs/dbraw/zinc/33/28/18/409332818.db2.gz WBANUCGUZBLXLQ-XHNCKOQMSA-N 0 3 197.303 1.922 20 0 ADADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccco1 651477460 409332822 /nfs/dbraw/zinc/33/28/22/409332822.db2.gz YGSCVTTXOLWOFT-HLTSFMKQSA-N 0 3 181.235 1.454 20 0 ADADHN CC[C@H](O)CN(C)Cc1ccccn1 37694036 409333225 /nfs/dbraw/zinc/33/32/25/409333225.db2.gz CQRWKVPQLRNJOB-NSHDSACASA-N 0 3 194.278 1.284 20 0 ADADHN C[C@@H](O)CN(C)Cc1cccs1 37693974 409333314 /nfs/dbraw/zinc/33/33/14/409333314.db2.gz FADVYLGKGMBJEU-MRVPVSSYSA-N 0 3 185.292 1.561 20 0 ADADHN CC[C@@H](O)CN[C@@H](C)c1ccccn1 37688781 409333421 /nfs/dbraw/zinc/33/34/21/409333421.db2.gz AQCFATORVVQDQJ-VHSXEESVSA-N 0 3 194.278 1.503 20 0 ADADHN C[C@@H](O)CN(C)Cc1ccsc1 37693979 409333772 /nfs/dbraw/zinc/33/37/72/409333772.db2.gz VGCOKBHQYDVUQR-MRVPVSSYSA-N 0 3 185.292 1.561 20 0 ADADHN C[C@H](O)CN(C)Cc1cccs1 37693973 409333915 /nfs/dbraw/zinc/33/39/15/409333915.db2.gz FADVYLGKGMBJEU-QMMMGPOBSA-N 0 3 185.292 1.561 20 0 ADADHN Cc1ccc(CN(C)C[C@H](C)O)o1 37693964 409334219 /nfs/dbraw/zinc/33/42/19/409334219.db2.gz TUCFYPQHTQFWKU-QMMMGPOBSA-N 0 3 183.251 1.401 20 0 ADADHN CC[C@H](O)CN[C@@H](C)c1ccccn1 37688780 409334418 /nfs/dbraw/zinc/33/44/18/409334418.db2.gz AQCFATORVVQDQJ-UWVGGRQHSA-N 0 3 194.278 1.503 20 0 ADADHN CCNCc1cc2cnccc2o1 651665228 409334508 /nfs/dbraw/zinc/33/45/08/409334508.db2.gz PRQSTLSCEXJHLC-UHFFFAOYSA-N 0 3 176.219 1.937 20 0 ADADHN CC(C)(O)COc1ccccc1CN 37698948 409334579 /nfs/dbraw/zinc/33/45/79/409334579.db2.gz GGGMYEXLQFCMJA-UHFFFAOYSA-N 0 3 195.262 1.295 20 0 ADADHN Cc1ccc(CN(C)C[C@@H](C)O)o1 37693963 409334966 /nfs/dbraw/zinc/33/49/66/409334966.db2.gz TUCFYPQHTQFWKU-MRVPVSSYSA-N 0 3 183.251 1.401 20 0 ADADHN C[C@H](O)CN(C)Cc1ccsc1 37693978 409334984 /nfs/dbraw/zinc/33/49/84/409334984.db2.gz VGCOKBHQYDVUQR-QMMMGPOBSA-N 0 3 185.292 1.561 20 0 ADADHN CC[C@@H](O)CN(C)Cc1ccccn1 37694037 409334991 /nfs/dbraw/zinc/33/49/91/409334991.db2.gz CQRWKVPQLRNJOB-LLVKDONJSA-N 0 3 194.278 1.284 20 0 ADADHN CCC[C@](C)(N)C(=O)N(C)CC1CC1 37816391 409336009 /nfs/dbraw/zinc/33/60/09/409336009.db2.gz PSTCLBSGIJFWJJ-NSHDSACASA-N 0 3 198.310 1.372 20 0 ADADHN CCCCN(C(=O)[C@H](C)N)C1CC1 37810310 409336075 /nfs/dbraw/zinc/33/60/75/409336075.db2.gz BJSRLPYNBJSYCI-QMMMGPOBSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CC1CC1 37816360 409336082 /nfs/dbraw/zinc/33/60/82/409336082.db2.gz ZFQZNAFFTZLKRF-SCZZXKLOSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](N)C(=O)N(C)CCC(C)C 37817928 409336156 /nfs/dbraw/zinc/33/61/56/409336156.db2.gz FLXURVHNDOULTD-SECBINFHSA-N 0 3 186.299 1.228 20 0 ADADHN CC(C)C[C@H](N)C(=O)N(C)CC1CC1 37816367 409336199 /nfs/dbraw/zinc/33/61/99/409336199.db2.gz AIEXVDORCDBUSL-JTQLQIEISA-N 0 3 198.310 1.228 20 0 ADADHN CCCCCN(C(=O)CN)C(C)C 37810055 409336238 /nfs/dbraw/zinc/33/62/38/409336238.db2.gz AAQVBBQDTQYRTD-UHFFFAOYSA-N 0 3 186.299 1.372 20 0 ADADHN CCCN[C@H](C(N)=O)c1ccccc1 37855736 409336371 /nfs/dbraw/zinc/33/63/71/409336371.db2.gz VHGQGKPEDNVWHU-JTQLQIEISA-N 0 3 192.262 1.213 20 0 ADADHN CCCCN(C(=O)[C@H](N)CC)C1CC1 37810335 409336470 /nfs/dbraw/zinc/33/64/70/409336470.db2.gz BSDSAQDDRMTUQG-SNVBAGLBSA-N 0 3 198.310 1.515 20 0 ADADHN C[C@H](N(C)C(=O)[C@@H](C)N)C(C)(C)C 37807132 409336482 /nfs/dbraw/zinc/33/64/82/409336482.db2.gz HSIZQGHXIQGYFI-SFYZADRCSA-N 0 3 186.299 1.227 20 0 ADADHN CCC[C@@](C)(N)C(=O)N(C)CC1CC1 37816392 409336515 /nfs/dbraw/zinc/33/65/15/409336515.db2.gz PSTCLBSGIJFWJJ-LLVKDONJSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CCN(C(=O)[C@H](C)N)C1CC1 37807020 409336541 /nfs/dbraw/zinc/33/65/41/409336541.db2.gz YYFJFQHMRWSRIK-VIFPVBQESA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N(CC(C)C)C1CC1 37806736 409336781 /nfs/dbraw/zinc/33/67/81/409336781.db2.gz IWRIEWYBLGEOAF-JTQLQIEISA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@H](C)C(C)(C)C 37807133 409336823 /nfs/dbraw/zinc/33/68/23/409336823.db2.gz HSIZQGHXIQGYFI-JGVFFNPUSA-N 0 3 186.299 1.227 20 0 ADADHN CNCC(=O)N(C)[C@@H](C)C(C)(C)C 37807159 409336932 /nfs/dbraw/zinc/33/69/32/409336932.db2.gz SKNXOGYIDDJGSF-QMMMGPOBSA-N 0 3 186.299 1.099 20 0 ADADHN CC[C@H](N)C(=O)N(C)CCC(C)C 37817927 409336992 /nfs/dbraw/zinc/33/69/92/409336992.db2.gz FLXURVHNDOULTD-VIFPVBQESA-N 0 3 186.299 1.228 20 0 ADADHN CC(C)N[C@@H](C(N)=O)c1ccccc1 37855712 409337007 /nfs/dbraw/zinc/33/70/07/409337007.db2.gz SXQMJKAMQXDOFL-SNVBAGLBSA-N 0 3 192.262 1.211 20 0 ADADHN CC(C)CN(C(=O)[C@@H](C)N)C(C)C 37810163 409337052 /nfs/dbraw/zinc/33/70/52/409337052.db2.gz SLXGPJAXQQRCIJ-SECBINFHSA-N 0 3 186.299 1.227 20 0 ADADHN CNCC(=O)N(CC(C)C)C(C)C 37810179 409337126 /nfs/dbraw/zinc/33/71/26/409337126.db2.gz KCPOGEJYPZFLIH-UHFFFAOYSA-N 0 3 186.299 1.099 20 0 ADADHN CCC1CCN(C(=O)[C@H](N)CC)CC1 37822558 409337330 /nfs/dbraw/zinc/33/73/30/409337330.db2.gz VDACWBGEVBRLNM-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N(C)CC1CC1 37816368 409337356 /nfs/dbraw/zinc/33/73/56/409337356.db2.gz AIEXVDORCDBUSL-SNVBAGLBSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H](N)C(=O)N(C)[C@@H](C)C(C)(C)C 37807131 409337416 /nfs/dbraw/zinc/33/74/16/409337416.db2.gz HSIZQGHXIQGYFI-YUMQZZPRSA-N 0 3 186.299 1.227 20 0 ADADHN CC(C)CCN(C(=O)[C@@H](C)N)C1CC1 37807019 409337473 /nfs/dbraw/zinc/33/74/73/409337473.db2.gz YYFJFQHMRWSRIK-SECBINFHSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)N[C@H](C(N)=O)c1ccccc1 37855711 409337603 /nfs/dbraw/zinc/33/76/03/409337603.db2.gz SXQMJKAMQXDOFL-JTQLQIEISA-N 0 3 192.262 1.211 20 0 ADADHN CC[C@@H](N)C(=O)N(CC(C)C)C1CC1 37806737 409337787 /nfs/dbraw/zinc/33/77/87/409337787.db2.gz IWRIEWYBLGEOAF-SNVBAGLBSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)CCN(C)C(=O)CNC1CC1 37817930 409337803 /nfs/dbraw/zinc/33/78/03/409337803.db2.gz OQXZLHIQMFXFAO-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CNCC(=O)N(CCC(C)C)C1CC1 37807035 409337820 /nfs/dbraw/zinc/33/78/20/409337820.db2.gz VIWSKKVPJIZQQZ-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCCCN(C(=O)[C@@H](C)N)C1CC1 37810309 409337850 /nfs/dbraw/zinc/33/78/50/409337850.db2.gz BJSRLPYNBJSYCI-MRVPVSSYSA-N 0 3 184.283 1.125 20 0 ADADHN CCCCN(C(=O)[C@@H](N)CC)C1CC1 37810336 409337858 /nfs/dbraw/zinc/33/78/58/409337858.db2.gz BSDSAQDDRMTUQG-JTQLQIEISA-N 0 3 198.310 1.515 20 0 ADADHN CNCC(=O)N(C)[C@H](C)C(C)(C)C 37807160 409337872 /nfs/dbraw/zinc/33/78/72/409337872.db2.gz SKNXOGYIDDJGSF-MRVPVSSYSA-N 0 3 186.299 1.099 20 0 ADADHN C[C@@H](CNCc1ccccn1)N(C)C 38088441 409338506 /nfs/dbraw/zinc/33/85/06/409338506.db2.gz XATJULSUCYSNTL-JTQLQIEISA-N 0 3 193.294 1.121 20 0 ADADHN CCC1CCC(CNC(=O)CN)CC1 37905347 409338638 /nfs/dbraw/zinc/33/86/38/409338638.db2.gz FRBAMJJBEQKFFH-UHFFFAOYSA-N 0 3 198.310 1.278 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C 37912038 409338658 /nfs/dbraw/zinc/33/86/58/409338658.db2.gz GPMAQKLUQCNJCX-NXEZZACHSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H]1CCCN1C(=O)CNC1CC1 37915043 409338772 /nfs/dbraw/zinc/33/87/72/409338772.db2.gz MSRWQBVQGAIJGS-SNVBAGLBSA-N 0 3 196.294 1.139 20 0 ADADHN CC[C@@H](N)C(=O)NCCCC(C)C 38093937 409338912 /nfs/dbraw/zinc/33/89/12/409338912.db2.gz CAMYQAHDPSVICV-SECBINFHSA-N 0 3 186.299 1.276 20 0 ADADHN COC[C@H](CC(C)(C)C)NCCF 651792812 409339061 /nfs/dbraw/zinc/33/90/61/409339061.db2.gz ILMRDZYQJORHDT-VIFPVBQESA-N 0 3 191.290 1.997 20 0 ADADHN OCCNCc1cccc2c1CCC2 651750077 409339484 /nfs/dbraw/zinc/33/94/84/409339484.db2.gz VLCQSRRLDJTSDY-UHFFFAOYSA-N 0 3 191.274 1.257 20 0 ADADHN COC[C@@H](CC(C)(C)C)NCCF 651792811 409339592 /nfs/dbraw/zinc/33/95/92/409339592.db2.gz ILMRDZYQJORHDT-SECBINFHSA-N 0 3 191.290 1.997 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C 37912028 409339701 /nfs/dbraw/zinc/33/97/01/409339701.db2.gz WFHLZYLNYKJILM-UTLUCORTSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]1C 37912039 409339788 /nfs/dbraw/zinc/33/97/88/409339788.db2.gz GPMAQKLUQCNJCX-VHSXEESVSA-N 0 3 198.310 1.371 20 0 ADADHN CCC(CC)CNCc1nncn1C 37989062 409340071 /nfs/dbraw/zinc/34/00/71/409340071.db2.gz MKADIKOMXYVLIT-UHFFFAOYSA-N 0 3 196.298 1.341 20 0 ADADHN CC[C@H]1CCCN1C(=O)CNC1CC1 37915044 409340084 /nfs/dbraw/zinc/34/00/84/409340084.db2.gz MSRWQBVQGAIJGS-JTQLQIEISA-N 0 3 196.294 1.139 20 0 ADADHN CC[C@H]1CCCN1C(=O)[C@H](N)CC 37915038 409340177 /nfs/dbraw/zinc/34/01/77/409340177.db2.gz HGVYJXYNLLCSMJ-DTWKUNHWSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@H](N)C(=O)NCCCC(C)C 38093936 409340546 /nfs/dbraw/zinc/34/05/46/409340546.db2.gz CAMYQAHDPSVICV-VIFPVBQESA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC[C@H]1CC 37915037 409340581 /nfs/dbraw/zinc/34/05/81/409340581.db2.gz HGVYJXYNLLCSMJ-RKDXNWHRSA-N 0 3 184.283 1.125 20 0 ADADHN CC(C)CCCNC(=O)CNC1CC1 38093945 409340616 /nfs/dbraw/zinc/34/06/16/409340616.db2.gz NPJCWRLQLGSDCC-UHFFFAOYSA-N 0 3 198.310 1.291 20 0 ADADHN C[C@H](N)C(=O)N1[C@@H](C)CCC[C@H]1C 40456473 409343631 /nfs/dbraw/zinc/34/36/31/409343631.db2.gz WVPABQIMYSOMAJ-YIZRAAEISA-N 0 3 184.283 1.123 20 0 ADADHN c1n[nH]cc1CNC1(C2CCC2)CC1 651959211 409342816 /nfs/dbraw/zinc/34/28/16/409342816.db2.gz CWKSXQJIUSZFKM-UHFFFAOYSA-N 0 3 191.278 1.832 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 40456451 409343020 /nfs/dbraw/zinc/34/30/20/409343020.db2.gz RLHYPWJBPDJDNV-IMSYWVGJSA-N 0 3 198.310 1.275 20 0 ADADHN CCCCNC(=O)[C@@H](N)C(C)(C)C 40458126 409343082 /nfs/dbraw/zinc/34/30/82/409343082.db2.gz LRIIDXZTWYLKAD-MRVPVSSYSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@@H](C)NC(=O)[C@@H](N)[C@H](C)CC 40487077 409343219 /nfs/dbraw/zinc/34/32/19/409343219.db2.gz MGGGBJJNLFCEPU-HLTSFMKQSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](C)NC(=O)[C@@H](N)C(C)(C)C 40457790 409343308 /nfs/dbraw/zinc/34/33/08/409343308.db2.gz RRJWILAIJGAKRZ-JGVFFNPUSA-N 0 3 186.299 1.275 20 0 ADADHN CCn1nncc1CNC1CC=CC1 651980610 409343312 /nfs/dbraw/zinc/34/33/12/409343312.db2.gz ZHFTVAXUYBEVCI-UHFFFAOYSA-N 0 3 192.266 1.106 20 0 ADADHN CN(CC1CC1)C(=O)[C@@H](N)C(C)(C)C 40468121 409343361 /nfs/dbraw/zinc/34/33/61/409343361.db2.gz KTMJSSKTWMRKNL-SECBINFHSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)N(C)C(=O)[C@@H](N)C(C)(C)C 40458326 409343500 /nfs/dbraw/zinc/34/35/00/409343500.db2.gz NYFLBXLKIQFMLF-MRVPVSSYSA-N 0 3 186.299 1.227 20 0 ADADHN CC(C)CNC(=O)[C@@H](N)C(C)(C)C 40457799 409343687 /nfs/dbraw/zinc/34/36/87/409343687.db2.gz ATABWCCJLMYYSJ-MRVPVSSYSA-N 0 3 186.299 1.132 20 0 ADADHN CC(C)[C@H](N)C(=O)NCC(C)(C)C 40494262 409343909 /nfs/dbraw/zinc/34/39/09/409343909.db2.gz MNHFIZFXAWROBU-QMMMGPOBSA-N 0 3 186.299 1.132 20 0 ADADHN CCCN(C)C(=O)[C@@H](N)C(C)(C)C 40459502 409344039 /nfs/dbraw/zinc/34/40/39/409344039.db2.gz FWMBRRXSIYXVCO-MRVPVSSYSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1C 40490693 409344137 /nfs/dbraw/zinc/34/41/37/409344137.db2.gz WFHLZYLNYKJILM-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 40456454 409344274 /nfs/dbraw/zinc/34/42/74/409344274.db2.gz RLHYPWJBPDJDNV-DOLQZWNJSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H](N)C(=O)N1[C@@H](C)CCC[C@@H]1C 40456475 409344414 /nfs/dbraw/zinc/34/44/14/409344414.db2.gz WVPABQIMYSOMAJ-CIUDSAMLSA-N 0 3 184.283 1.123 20 0 ADADHN CC(C)[C@@H](N)C(=O)NCC(C)(C)C 40494327 409344432 /nfs/dbraw/zinc/34/44/32/409344432.db2.gz MNHFIZFXAWROBU-MRVPVSSYSA-N 0 3 186.299 1.132 20 0 ADADHN CC[C@@H](C)NC(=O)[C@@H](N)C(C)(C)C 40457789 409344440 /nfs/dbraw/zinc/34/44/40/409344440.db2.gz RRJWILAIJGAKRZ-HTQZYQBOSA-N 0 3 186.299 1.275 20 0 ADADHN C[C@H](N)C(=O)N1[C@H](C)CCC[C@H]1C 40456476 409344657 /nfs/dbraw/zinc/34/46/57/409344657.db2.gz WVPABQIMYSOMAJ-HLTSFMKQSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](C)C1 40724501 409345655 /nfs/dbraw/zinc/34/56/55/409345655.db2.gz YZFQGEAMOJDPRP-BBBLOLIVSA-N 0 3 198.310 1.228 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N1CC[C@@H](C)C1 40724579 409345696 /nfs/dbraw/zinc/34/56/96/409345696.db2.gz RDCOPHUVQZGVIJ-NXEZZACHSA-N 0 3 198.310 1.228 20 0 ADADHN OC[C@H](CCF)NCc1ccccc1 652014968 409345854 /nfs/dbraw/zinc/34/58/54/409345854.db2.gz QFFJWNWTSPLUKU-NSHDSACASA-N 0 3 197.253 1.497 20 0 ADADHN CC(C)[NH2+]Cc1nnc(C(C)C)[n-]1 41058480 409345859 /nfs/dbraw/zinc/34/58/59/409345859.db2.gz BZHFTTPOBOOOFY-UHFFFAOYSA-N 0 3 182.271 1.426 20 0 ADADHN OC[C@@H](CCF)NCc1ccccc1 652014967 409345896 /nfs/dbraw/zinc/34/58/96/409345896.db2.gz QFFJWNWTSPLUKU-LLVKDONJSA-N 0 3 197.253 1.497 20 0 ADADHN CC(C)C[C@@H](N)C(=O)N1CC[C@H](C)C1 40724581 409345912 /nfs/dbraw/zinc/34/59/12/409345912.db2.gz RDCOPHUVQZGVIJ-VHSXEESVSA-N 0 3 198.310 1.228 20 0 ADADHN C(NCC1CC1)c1nnc(C2CC2)[nH]1 41058694 409346844 /nfs/dbraw/zinc/34/68/44/409346844.db2.gz JAIXOTATEQWQEH-UHFFFAOYSA-N 0 3 192.266 1.182 20 0 ADADHN C[C@H](CCO)N(C)Cc1ccn(C)c1 652048440 409346846 /nfs/dbraw/zinc/34/68/46/409346846.db2.gz MZMNTEUXRKBISI-SNVBAGLBSA-N 0 3 196.294 1.228 20 0 ADADHN C([NH2+]CC1CC1)c1nnc(C2CC2)[n-]1 41058694 409346854 /nfs/dbraw/zinc/34/68/54/409346854.db2.gz JAIXOTATEQWQEH-UHFFFAOYSA-N 0 3 192.266 1.182 20 0 ADADHN CC(C)c1nnc(CNCC2CC2)[nH]1 41058476 409346903 /nfs/dbraw/zinc/34/69/03/409346903.db2.gz ACGRTAPEFBJFDZ-UHFFFAOYSA-N 0 3 194.282 1.428 20 0 ADADHN CC(C)c1nnc(C[NH2+]CC2CC2)[n-]1 41058476 409346907 /nfs/dbraw/zinc/34/69/07/409346907.db2.gz ACGRTAPEFBJFDZ-UHFFFAOYSA-N 0 3 194.282 1.428 20 0 ADADHN C[C@H](CCO)N(C)Cc1ccsc1 652047467 409347127 /nfs/dbraw/zinc/34/71/27/409347127.db2.gz QESGOPBMMGTGSD-SECBINFHSA-N 0 3 199.319 1.951 20 0 ADADHN Cc1ccoc1CN(C)[C@H](C)CCO 652047969 409347278 /nfs/dbraw/zinc/34/72/78/409347278.db2.gz BUHZNVUUKKJVBN-SNVBAGLBSA-N 0 3 197.278 1.791 20 0 ADADHN C[C@@H](CCO)N(C)Cc1ccco1 652047233 409347313 /nfs/dbraw/zinc/34/73/13/409347313.db2.gz KCSMLNZUVKMZAN-VIFPVBQESA-N 0 3 183.251 1.482 20 0 ADADHN C[C@@H](CCO)N(C)Cc1ccsc1 652047468 409347411 /nfs/dbraw/zinc/34/74/11/409347411.db2.gz QESGOPBMMGTGSD-VIFPVBQESA-N 0 3 199.319 1.951 20 0 ADADHN Cc1ccc(CN(C)[C@H](C)CCO)o1 652047591 409347613 /nfs/dbraw/zinc/34/76/13/409347613.db2.gz TZUFDKVBPMHTPJ-SECBINFHSA-N 0 3 197.278 1.791 20 0 ADADHN Cc1ccc(CN(C)[C@@H](C)CCO)o1 652047592 409347680 /nfs/dbraw/zinc/34/76/80/409347680.db2.gz TZUFDKVBPMHTPJ-VIFPVBQESA-N 0 3 197.278 1.791 20 0 ADADHN CC(C)[NH2+]Cc1nnc(C2CC2)[n-]1 41058698 409347689 /nfs/dbraw/zinc/34/76/89/409347689.db2.gz DVCLNPOGZAIBIY-UHFFFAOYSA-N 0 3 180.255 1.180 20 0 ADADHN C[C@H](CCO)N(C)Cc1cccn1C 652046998 409347771 /nfs/dbraw/zinc/34/77/71/409347771.db2.gz DKVXQZFLNOLHBG-SNVBAGLBSA-N 0 3 196.294 1.228 20 0 ADADHN c1c[nH]c(CNC2CC3(CCC3)C2)n1 652041442 409347841 /nfs/dbraw/zinc/34/78/41/409347841.db2.gz BFYDHZKQTVQHQB-UHFFFAOYSA-N 0 3 191.278 1.832 20 0 ADADHN Cc1ccoc1CN(C)[C@@H](C)CCO 652047968 409348154 /nfs/dbraw/zinc/34/81/54/409348154.db2.gz BUHZNVUUKKJVBN-JTQLQIEISA-N 0 3 197.278 1.791 20 0 ADADHN Cc1occc1CN(C)[C@@H](C)CCO 652049654 409348211 /nfs/dbraw/zinc/34/82/11/409348211.db2.gz LGUVMVYZXMLHGN-VIFPVBQESA-N 0 3 197.278 1.791 20 0 ADADHN C[C@@H](CCO)N(C)Cc1ccn(C)c1 652048439 409348420 /nfs/dbraw/zinc/34/84/20/409348420.db2.gz MZMNTEUXRKBISI-JTQLQIEISA-N 0 3 196.294 1.228 20 0 ADADHN C[C@H](CCO)N(C)Cc1ccco1 652047232 409348448 /nfs/dbraw/zinc/34/84/48/409348448.db2.gz KCSMLNZUVKMZAN-SECBINFHSA-N 0 3 183.251 1.482 20 0 ADADHN Cc1occc1CN(C)[C@H](C)CCO 652049653 409348551 /nfs/dbraw/zinc/34/85/51/409348551.db2.gz LGUVMVYZXMLHGN-SECBINFHSA-N 0 3 197.278 1.791 20 0 ADADHN C[C@@H](CCO)N(C)Cc1cccn1C 652046997 409348585 /nfs/dbraw/zinc/34/85/85/409348585.db2.gz DKVXQZFLNOLHBG-JTQLQIEISA-N 0 3 196.294 1.228 20 0 ADADHN C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)N 42204959 409350295 /nfs/dbraw/zinc/35/02/95/409350295.db2.gz WVPABQIMYSOMAJ-HRDYMLBCSA-N 0 3 184.283 1.123 20 0 ADADHN CCOCCN1CCSCC1 41366684 409349621 /nfs/dbraw/zinc/34/96/21/409349621.db2.gz IKPRWUAIDKIKNZ-UHFFFAOYSA-N 0 3 175.297 1.072 20 0 ADADHN CC1(NC(=O)CNC2CC2)CCCC1 42188057 409349787 /nfs/dbraw/zinc/34/97/87/409349787.db2.gz XNSJQWUQTMTBBF-UHFFFAOYSA-N 0 3 196.294 1.187 20 0 ADADHN F[C@@H]1CCCN(CC2CC2)C1 652077398 409350062 /nfs/dbraw/zinc/35/00/62/409350062.db2.gz CLPMRMUGSOUXKL-SECBINFHSA-N 0 3 157.232 1.830 20 0 ADADHN CC[C@@H](N)C(=O)NC1(C)CCCC1 42188048 409350544 /nfs/dbraw/zinc/35/05/44/409350544.db2.gz YPTUNQHKEIXWQF-MRVPVSSYSA-N 0 3 184.283 1.173 20 0 ADADHN F[C@H]1CCCN(CC2CC2)C1 652077399 409350576 /nfs/dbraw/zinc/35/05/76/409350576.db2.gz CLPMRMUGSOUXKL-VIFPVBQESA-N 0 3 157.232 1.830 20 0 ADADHN CC[C@@H](N)C(=O)NC(C1CC1)C1CC1 42372500 409350640 /nfs/dbraw/zinc/35/06/40/409350640.db2.gz XVOBCDZGWIIEBB-SECBINFHSA-N 0 3 196.294 1.029 20 0 ADADHN CC[C@H](N)C(=O)NC(C1CC1)C1CC1 42372499 409350722 /nfs/dbraw/zinc/35/07/22/409350722.db2.gz XVOBCDZGWIIEBB-VIFPVBQESA-N 0 3 196.294 1.029 20 0 ADADHN C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N 42204962 409350769 /nfs/dbraw/zinc/35/07/69/409350769.db2.gz WVPABQIMYSOMAJ-XHNCKOQMSA-N 0 3 184.283 1.123 20 0 ADADHN CNCC(=O)NC[C@@H]1CCCC[C@@H]1C 42868193 409351715 /nfs/dbraw/zinc/35/17/15/409351715.db2.gz BQKHPDJDYJGRPT-UWVGGRQHSA-N 0 3 198.310 1.148 20 0 ADADHN CC[C@@H](N)C(=O)N(CC1CC1)C(C)C 42591716 409351685 /nfs/dbraw/zinc/35/16/85/409351685.db2.gz AVDKQWRTNWLWNE-SNVBAGLBSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H](C)[C@H](C)CC 42558942 409352242 /nfs/dbraw/zinc/35/22/42/409352242.db2.gz GLPNUNALLFHNMV-IWSPIJDZSA-N 0 3 186.299 1.275 20 0 ADADHN CNCC(=O)NC[C@H]1CCCC[C@@H]1C 42868187 409353139 /nfs/dbraw/zinc/35/31/39/409353139.db2.gz BQKHPDJDYJGRPT-VHSXEESVSA-N 0 3 198.310 1.148 20 0 ADADHN CC[C@H](C)[C@@H](C)NC(=O)CNC1CC1 42558981 409353172 /nfs/dbraw/zinc/35/31/72/409353172.db2.gz FWSLSYMFRUZRLU-DTWKUNHWSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1C 42868335 409353231 /nfs/dbraw/zinc/35/32/31/409353231.db2.gz ICIHLWMWSFCZTC-GUBZILKMSA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@H](C)[C@H](C)NC(=O)[C@H](N)CC 42558951 409353336 /nfs/dbraw/zinc/35/33/36/409353336.db2.gz GLPNUNALLFHNMV-XHNCKOQMSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](C)[C@@H](C)NC(=O)CNC1CC1 42558978 409353489 /nfs/dbraw/zinc/35/34/89/409353489.db2.gz FWSLSYMFRUZRLU-RKDXNWHRSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1C 42868329 409353539 /nfs/dbraw/zinc/35/35/39/409353539.db2.gz ICIHLWMWSFCZTC-LPEHRKFASA-N 0 3 198.310 1.276 20 0 ADADHN CC[C@H](N)C(=O)N(CC1CC1)C(C)C 42591713 409353634 /nfs/dbraw/zinc/35/36/34/409353634.db2.gz AVDKQWRTNWLWNE-JTQLQIEISA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H](C)[C@H](C)CC 42558949 409353697 /nfs/dbraw/zinc/35/36/97/409353697.db2.gz GLPNUNALLFHNMV-HRDYMLBCSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](C)[C@H](C)NC(=O)CNC1CC1 42558983 409353707 /nfs/dbraw/zinc/35/37/07/409353707.db2.gz FWSLSYMFRUZRLU-BDAKNGLRSA-N 0 3 198.310 1.289 20 0 ADADHN CC(=O)CN(CC(C)C)C1CC1 42558494 409353873 /nfs/dbraw/zinc/35/38/73/409353873.db2.gz SDAFPNONODJDFH-UHFFFAOYSA-N 0 3 169.268 1.696 20 0 ADADHN C[C@H](N)C(=O)NC[C@@H]1CCCC[C@H]1C 42868332 409354064 /nfs/dbraw/zinc/35/40/64/409354064.db2.gz ICIHLWMWSFCZTC-UTLUCORTSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1C 42868326 409354365 /nfs/dbraw/zinc/35/43/65/409354365.db2.gz ICIHLWMWSFCZTC-KXUCPTDWSA-N 0 3 198.310 1.276 20 0 ADADHN CNCC(=O)NC[C@H]1CCCC[C@H]1C 42868184 409354541 /nfs/dbraw/zinc/35/45/41/409354541.db2.gz BQKHPDJDYJGRPT-NXEZZACHSA-N 0 3 198.310 1.148 20 0 ADADHN CC[C@H](C)[C@H](C)NC(=O)CNC1CC1 42558986 409354571 /nfs/dbraw/zinc/35/45/71/409354571.db2.gz FWSLSYMFRUZRLU-IUCAKERBSA-N 0 3 198.310 1.289 20 0 ADADHN CNCC(=O)NC[C@@H]1CCCC[C@H]1C 42868190 409354615 /nfs/dbraw/zinc/35/46/15/409354615.db2.gz BQKHPDJDYJGRPT-ZJUUUORDSA-N 0 3 198.310 1.148 20 0 ADADHN CC(C)(N)C(=O)NC1CC2(CCC2)C1 652560139 409357939 /nfs/dbraw/zinc/35/79/39/409357939.db2.gz CRSZNGBTQVFAJC-UHFFFAOYSA-N 0 3 196.294 1.173 20 0 ADADHN CC[C@@H](N)C(=O)NC1(C)CCCCC1 45046991 409362074 /nfs/dbraw/zinc/36/20/74/409362074.db2.gz URQAFZWHPSEBKK-SECBINFHSA-N 0 3 198.310 1.563 20 0 ADADHN Cc1cc(CN[C@@H](C)C2CC2)on1 44985744 409362398 /nfs/dbraw/zinc/36/23/98/409362398.db2.gz IPXDUJLAVPLIRB-QMMMGPOBSA-N 0 3 180.251 1.871 20 0 ADADHN Cc1cc(CN[C@H](C)C2CC2)on1 44985747 409363160 /nfs/dbraw/zinc/36/31/60/409363160.db2.gz IPXDUJLAVPLIRB-MRVPVSSYSA-N 0 3 180.251 1.871 20 0 ADADHN CC[C@@H](N)C(=O)N(C)CC(C)(C)C 45087999 409365132 /nfs/dbraw/zinc/36/51/32/409365132.db2.gz PJHSVUDAKZFKRT-MRVPVSSYSA-N 0 3 186.299 1.228 20 0 ADADHN CNCC(=O)N[C@@H]1C[C@H]1CC(C)(C)C 653201742 409365677 /nfs/dbraw/zinc/36/56/77/409365677.db2.gz WECMLYOHVUJFMR-DTWKUNHWSA-N 0 3 198.310 1.147 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 653201332 409365855 /nfs/dbraw/zinc/36/58/55/409365855.db2.gz FHCLXSBALVEJJE-XHNCKOQMSA-N 0 3 198.310 1.275 20 0 ADADHN CC[C@H](N)C(=O)N(C)CC(C)(C)C 45087997 409366361 /nfs/dbraw/zinc/36/63/61/409366361.db2.gz PJHSVUDAKZFKRT-QMMMGPOBSA-N 0 3 186.299 1.228 20 0 ADADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 653201331 409366646 /nfs/dbraw/zinc/36/66/46/409366646.db2.gz FHCLXSBALVEJJE-HRDYMLBCSA-N 0 3 198.310 1.275 20 0 ADADHN CN(CC(C)(C)C)C(=O)CNC1CC1 45088002 409366889 /nfs/dbraw/zinc/36/68/89/409366889.db2.gz KMRCJXDLLVCELO-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)=CCN(CCO)C1CC1 48065404 409368612 /nfs/dbraw/zinc/36/86/12/409368612.db2.gz MXIZRNRDTMFOQG-UHFFFAOYSA-N 0 3 169.268 1.409 20 0 ADADHN OCCN(C[C@@H]1CCCCO1)C1CC1 48065343 409368710 /nfs/dbraw/zinc/36/87/10/409368710.db2.gz UVMOEIINCHKQFD-NSHDSACASA-N 0 3 199.294 1.012 20 0 ADADHN Cc1nn(CCN(C)C)c(C)c1C 48358126 409369261 /nfs/dbraw/zinc/36/92/61/409369261.db2.gz OSSVQCQBAZSWBT-UHFFFAOYSA-N 0 3 181.283 1.370 20 0 ADADHN CCc1c(C)nn(CCN(C)C)c1C 48358142 409369564 /nfs/dbraw/zinc/36/95/64/409369564.db2.gz MFGGZBIDTGHGHT-UHFFFAOYSA-N 0 3 195.310 1.624 20 0 ADADHN CN(CCC(N)=O)Cc1cccs1 47979735 409369783 /nfs/dbraw/zinc/36/97/83/409369783.db2.gz DHKQYTJJRIONQG-UHFFFAOYSA-N 0 3 198.291 1.055 20 0 ADADHN CCc1nnc(CNC2CCCC2)[nH]1 48630841 409369819 /nfs/dbraw/zinc/36/98/19/409369819.db2.gz SIVYAIBCCPIGNF-UHFFFAOYSA-N 0 3 194.282 1.399 20 0 ADADHN CCc1nnc(C[NH2+]C2CCCC2)[n-]1 48630841 409369823 /nfs/dbraw/zinc/36/98/23/409369823.db2.gz SIVYAIBCCPIGNF-UHFFFAOYSA-N 0 3 194.282 1.399 20 0 ADADHN OCCN(C[C@H]1CCCCO1)C1CC1 48065344 409369964 /nfs/dbraw/zinc/36/99/64/409369964.db2.gz UVMOEIINCHKQFD-LLVKDONJSA-N 0 3 199.294 1.012 20 0 ADADHN OCCN(Cc1ccccc1)C1CC1 48065321 409370171 /nfs/dbraw/zinc/37/01/71/409370171.db2.gz LMSLSCQTYZUJNI-UHFFFAOYSA-N 0 3 191.274 1.643 20 0 ADADHN CN(CCC(N)=O)Cc1ccsc1 48484524 409370709 /nfs/dbraw/zinc/37/07/09/409370709.db2.gz HMBBFVQXBCLWIP-UHFFFAOYSA-N 0 3 198.291 1.055 20 0 ADADHN CCCC1CCC(NC(=O)CN)CC1 49547512 409373630 /nfs/dbraw/zinc/37/36/30/409373630.db2.gz RJJBEQFIACBQKB-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CN(C)C(=O)CCCN1CC=CCC1 653609973 409375193 /nfs/dbraw/zinc/37/51/93/409375193.db2.gz NYISOOGZUHTSEA-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN CC(C)=CCN1CCN(C)C(C)(C)C1 653658426 409375231 /nfs/dbraw/zinc/37/52/31/409375231.db2.gz YHXLPDGVBSXFNP-UHFFFAOYSA-N 0 3 196.338 1.979 20 0 ADADHN CN(CCO)CCc1cccs1 49806020 409377212 /nfs/dbraw/zinc/37/72/12/409377212.db2.gz NOUPHZAHLUMXLE-UHFFFAOYSA-N 0 3 185.292 1.215 20 0 ADADHN CCCN1CCC(=O)CC12CCC2 653764207 409377444 /nfs/dbraw/zinc/37/74/44/409377444.db2.gz OFBMNNIBFZRYRM-UHFFFAOYSA-N 0 3 181.279 1.984 20 0 ADADHN O=C1CCN(CC2CC2)C2(CCC2)C1 653764058 409378480 /nfs/dbraw/zinc/37/84/80/409378480.db2.gz VILWTODSQCYTGG-UHFFFAOYSA-N 0 3 193.290 1.984 20 0 ADADHN CN(Cc1ccc(N)nc1)CC1CC1 50814559 409378662 /nfs/dbraw/zinc/37/86/62/409378662.db2.gz WXRUIRMMHDIFBV-UHFFFAOYSA-N 0 3 191.278 1.506 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C 50565662 409378812 /nfs/dbraw/zinc/37/88/12/409378812.db2.gz UFYGGADLMUHXDS-LPEHRKFASA-N 0 3 198.310 1.371 20 0 ADADHN CCN(CC)Cc1ccc(N)nc1 50792222 409378905 /nfs/dbraw/zinc/37/89/05/409378905.db2.gz VTQLRKWWLAXZMZ-UHFFFAOYSA-N 0 3 179.267 1.506 20 0 ADADHN CCC[C@@H](CC)NC(=O)CNC1CC1 50405415 409378974 /nfs/dbraw/zinc/37/89/74/409378974.db2.gz OPHDCPXZLJNORP-SECBINFHSA-N 0 3 198.310 1.433 20 0 ADADHN CCCN(CC(=O)NCC)C(C)C 653797766 409379119 /nfs/dbraw/zinc/37/91/19/409379119.db2.gz UWASCPRUOREFAT-UHFFFAOYSA-N 0 3 186.299 1.243 20 0 ADADHN CCCN(Cc1cnnn1C)C(C)C 653799034 409379151 /nfs/dbraw/zinc/37/91/51/409379151.db2.gz HOMXDPCQJBPKOG-UHFFFAOYSA-N 0 3 196.298 1.436 20 0 ADADHN C[C@H](NCCC(N)=O)c1ccsc1 50340425 409379220 /nfs/dbraw/zinc/37/92/20/409379220.db2.gz ZJBVZNQGUVWYQR-ZETCQYMHSA-N 0 3 198.291 1.274 20 0 ADADHN CCC[C@H](CC)NC(=O)CNC1CC1 50405416 409379539 /nfs/dbraw/zinc/37/95/39/409379539.db2.gz OPHDCPXZLJNORP-VIFPVBQESA-N 0 3 198.310 1.433 20 0 ADADHN CCCCN(C)Cc1ccc(N)nc1 50793073 409379562 /nfs/dbraw/zinc/37/95/62/409379562.db2.gz OUNQEQSIXWEINO-UHFFFAOYSA-N 0 3 193.294 1.896 20 0 ADADHN OCCN1CCC[C@@H](OC2CCC2)C1 653813988 409379622 /nfs/dbraw/zinc/37/96/22/409379622.db2.gz IFEKKHDXAQYACP-LLVKDONJSA-N 0 3 199.294 1.012 20 0 ADADHN CCCN(Cc1n[nH]c(C)n1)C(C)C 653798825 409380046 /nfs/dbraw/zinc/38/00/46/409380046.db2.gz DPHBYALAMXIFIL-UHFFFAOYSA-N 0 3 196.298 1.734 20 0 ADADHN CCCN(C)Cc1ccc(N)nc1 50813169 409380064 /nfs/dbraw/zinc/38/00/64/409380064.db2.gz OKTUMJVDXBDWRC-UHFFFAOYSA-N 0 3 179.267 1.506 20 0 ADADHN CC(C)N(C)Cc1ccc(N)nc1 50792598 409380199 /nfs/dbraw/zinc/38/01/99/409380199.db2.gz XWFABXZDYICWPU-UHFFFAOYSA-N 0 3 179.267 1.504 20 0 ADADHN CCCN(CC(=O)NC1CC1)C(C)C 653797361 409380425 /nfs/dbraw/zinc/38/04/25/409380425.db2.gz GFRBZUCIKXUFMI-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C 50565664 409380685 /nfs/dbraw/zinc/38/06/85/409380685.db2.gz UFYGGADLMUHXDS-KXUCPTDWSA-N 0 3 198.310 1.371 20 0 ADADHN CCCN(CC(=O)N1CCC1)C(C)C 653797124 409380973 /nfs/dbraw/zinc/38/09/73/409380973.db2.gz OBNIHOSNHHTKTB-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(Cc1ccc(N)nc1)C1CC1 50812610 409381015 /nfs/dbraw/zinc/38/10/15/409381015.db2.gz VDNXGJFTODLBLN-UHFFFAOYSA-N 0 3 191.278 1.648 20 0 ADADHN OCCN1CCC[C@H](OC2CCC2)C1 653813989 409381116 /nfs/dbraw/zinc/38/11/16/409381116.db2.gz IFEKKHDXAQYACP-NSHDSACASA-N 0 3 199.294 1.012 20 0 ADADHN CC(C)=CCN(C[C@H](C)O)C1CC1 653896384 409381630 /nfs/dbraw/zinc/38/16/30/409381630.db2.gz RIFFKWLWZDONDJ-JTQLQIEISA-N 0 3 183.295 1.798 20 0 ADADHN CC(C)=CCN(C[C@@H](C)O)C1CC1 653896385 409381644 /nfs/dbraw/zinc/38/16/44/409381644.db2.gz RIFFKWLWZDONDJ-SNVBAGLBSA-N 0 3 183.295 1.798 20 0 ADADHN CN(Cc1ccco1)CC(C)(C)CO 51293168 409381856 /nfs/dbraw/zinc/38/18/56/409381856.db2.gz PUJWXWULXZYIFR-UHFFFAOYSA-N 0 3 197.278 1.730 20 0 ADADHN C[C@H](O)CN(C[C@@H]1CCCO1)C1CC1 653895688 409382374 /nfs/dbraw/zinc/38/23/74/409382374.db2.gz CQSIJCVMLDZUJN-ONGXEEELSA-N 0 3 199.294 1.011 20 0 ADADHN C[C@H](O)CN(C[C@H]1CCCO1)C1CC1 653895685 409382397 /nfs/dbraw/zinc/38/23/97/409382397.db2.gz CQSIJCVMLDZUJN-GXSJLCMTSA-N 0 3 199.294 1.011 20 0 ADADHN CNCC(=O)N[C@@H](C)C1CCCCC1 52342345 409383270 /nfs/dbraw/zinc/38/32/70/409383270.db2.gz OHGUXKYNZPITDO-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CC(C)C[C@@H](N)C(=O)NC1CCC1 52211004 409382997 /nfs/dbraw/zinc/38/29/97/409382997.db2.gz MUEGIFNLUWOIDY-SECBINFHSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](O)CN(C[C@H]1CCCO1)C1CC1 653895687 409383233 /nfs/dbraw/zinc/38/32/33/409383233.db2.gz CQSIJCVMLDZUJN-MWLCHTKSSA-N 0 3 199.294 1.011 20 0 ADADHN CN(Cc1cccnc1N)CC1CC1 52722849 409383368 /nfs/dbraw/zinc/38/33/68/409383368.db2.gz HSXXATINMFDVTD-UHFFFAOYSA-N 0 3 191.278 1.506 20 0 ADADHN CCCN(CC1CC1)C(=O)[C@H](C)NC 52395729 409383413 /nfs/dbraw/zinc/38/34/13/409383413.db2.gz RPZYHCXNAWKDOD-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](NC(=O)CN)C1CCCCC1 52342665 409383562 /nfs/dbraw/zinc/38/35/62/409383562.db2.gz ODKYTPNYXCSZHN-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN C[C@@H](O)CN(C[C@@H]1CCCO1)C1CC1 653895686 409383597 /nfs/dbraw/zinc/38/35/97/409383597.db2.gz CQSIJCVMLDZUJN-KOLCDFICSA-N 0 3 199.294 1.011 20 0 ADADHN CC(C)C[C@H](N)C(=O)NC1CCC1 52210862 409384014 /nfs/dbraw/zinc/38/40/14/409384014.db2.gz MUEGIFNLUWOIDY-VIFPVBQESA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](O)CNCc1ccc(C)o1 53037292 409384207 /nfs/dbraw/zinc/38/42/07/409384207.db2.gz NAULPXNUCAAQMR-SECBINFHSA-N 0 3 183.251 1.449 20 0 ADADHN CC(C)CN(C)Cc1cccnc1N 52719496 409384298 /nfs/dbraw/zinc/38/42/98/409384298.db2.gz AVQLKECLEIKMKV-UHFFFAOYSA-N 0 3 193.294 1.752 20 0 ADADHN CNCC(=O)N[C@H](C)C1CCCCC1 52342347 409384328 /nfs/dbraw/zinc/38/43/28/409384328.db2.gz OHGUXKYNZPITDO-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@@H](NC(=O)CN)C1CCCCC1 52342667 409384458 /nfs/dbraw/zinc/38/44/58/409384458.db2.gz ODKYTPNYXCSZHN-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@H](O)CNCc1ccc(C)o1 53037290 409384487 /nfs/dbraw/zinc/38/44/87/409384487.db2.gz NAULPXNUCAAQMR-VIFPVBQESA-N 0 3 183.251 1.449 20 0 ADADHN CCCN(CC)Cc1cccnc1N 52719244 409384796 /nfs/dbraw/zinc/38/47/96/409384796.db2.gz WXBIYDINYHZLKQ-UHFFFAOYSA-N 0 3 193.294 1.896 20 0 ADADHN CC[C@@H](C)[C@H](N)C(=O)NC1CCC1 52210844 409385004 /nfs/dbraw/zinc/38/50/04/409385004.db2.gz SKTSTBIGSWSCDK-APPZFPTMSA-N 0 3 184.283 1.029 20 0 ADADHN CCn1ccnc1CN[C@@H](C)C1CC1 51921480 409385145 /nfs/dbraw/zinc/38/51/45/409385145.db2.gz BFAYZNCATOIFTG-VIFPVBQESA-N 0 3 193.294 1.791 20 0 ADADHN CCn1ccnc1CN[C@H](C)C1CC1 51921481 409385322 /nfs/dbraw/zinc/38/53/22/409385322.db2.gz BFAYZNCATOIFTG-SECBINFHSA-N 0 3 193.294 1.791 20 0 ADADHN CCC1CN(C(=O)CN(CC)CC)C1 654698337 409392824 /nfs/dbraw/zinc/39/28/24/409392824.db2.gz UYXQBMBOQREDOT-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCC1CN(C(=O)CN(C)C(C)C)C1 654699281 409392933 /nfs/dbraw/zinc/39/29/33/409392933.db2.gz QYHOTFQTCNKHLZ-UHFFFAOYSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@@H]1C[C@@H]1C(=O)NC(C)(C)CN(C)C 654661383 409393002 /nfs/dbraw/zinc/39/30/02/409393002.db2.gz XLANLLMUYWELJD-BDAKNGLRSA-N 0 3 198.310 1.099 20 0 ADADHN CCCN(C)CC(=O)N1CC(CC)C1 654699139 409393025 /nfs/dbraw/zinc/39/30/25/409393025.db2.gz IRFWAYIHARCQMO-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN C[C@@H]1C[C@H]1C(=O)NC(C)(C)CN(C)C 654657281 409393222 /nfs/dbraw/zinc/39/32/22/409393222.db2.gz XLANLLMUYWELJD-RKDXNWHRSA-N 0 3 198.310 1.099 20 0 ADADHN CN(C)CC(C)(C)NC(=O)CC1CC1 654660588 409393373 /nfs/dbraw/zinc/39/33/73/409393373.db2.gz IHLNCOKFMCDYOQ-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H]1CCCCN1C(=O)[C@H](C)NC 55421447 409393608 /nfs/dbraw/zinc/39/36/08/409393608.db2.gz IXJSMHRKKMQXGC-UWVGGRQHSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H]1C[C@@H]1C(=O)NC(C)(C)CN(C)C 654657314 409393635 /nfs/dbraw/zinc/39/36/35/409393635.db2.gz XLANLLMUYWELJD-IUCAKERBSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@@H](C)CNCc1ncc[nH]1 54469512 409393976 /nfs/dbraw/zinc/39/39/76/409393976.db2.gz VJMJDGHSVWJIKL-MRVPVSSYSA-N 0 3 167.256 1.545 20 0 ADADHN CCC1CN(C(=O)[C@H](CC)N(C)C)C1 654698012 409394017 /nfs/dbraw/zinc/39/40/17/409394017.db2.gz OAGWFOOYXLBBDL-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN CCC1CN(C(=O)[C@@H](CC)N(C)C)C1 654698013 409394157 /nfs/dbraw/zinc/39/41/57/409394157.db2.gz OAGWFOOYXLBBDL-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN C[C@H]1C[C@H]1C(=O)NC(C)(C)CN(C)C 654661384 409394168 /nfs/dbraw/zinc/39/41/68/409394168.db2.gz XLANLLMUYWELJD-DTWKUNHWSA-N 0 3 198.310 1.099 20 0 ADADHN CN(C)CC(C)(C)NC(=O)C1CCC1 654661503 409394230 /nfs/dbraw/zinc/39/42/30/409394230.db2.gz JFLJKAIYJRTRHN-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1CCCCN1C(=O)[C@H](C)NC 55421444 409394610 /nfs/dbraw/zinc/39/46/10/409394610.db2.gz IXJSMHRKKMQXGC-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H](C(=O)NCCN(C)C)C1CCC1 654838983 409395237 /nfs/dbraw/zinc/39/52/37/409395237.db2.gz JAFIUUMKCJWGCP-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN CC(C)[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1C 654837099 409395568 /nfs/dbraw/zinc/39/55/68/409395568.db2.gz IONZMHZODAONAD-AEJSXWLSSA-N 0 3 198.310 1.369 20 0 ADADHN CC(C)[C@H](N)C(=O)N1[C@@H](C)CC[C@@H]1C 654837101 409395551 /nfs/dbraw/zinc/39/55/51/409395551.db2.gz IONZMHZODAONAD-GUBZILKMSA-N 0 3 198.310 1.369 20 0 ADADHN C[C@@H](C(=O)NCCN(C)C)C1CCC1 654838982 409395649 /nfs/dbraw/zinc/39/56/49/409395649.db2.gz JAFIUUMKCJWGCP-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN CC[C@H](C)CNCc1ncc[nH]1 54469515 409395877 /nfs/dbraw/zinc/39/58/77/409395877.db2.gz VJMJDGHSVWJIKL-QMMMGPOBSA-N 0 3 167.256 1.545 20 0 ADADHN CC1(CCNC(=O)C(C)(C)N)CC1 654837094 409396224 /nfs/dbraw/zinc/39/62/24/409396224.db2.gz CTCZGJSSXSEALS-UHFFFAOYSA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C(C)C)C1CC1 654836171 409396320 /nfs/dbraw/zinc/39/63/20/409396320.db2.gz YPWRBIBXWCCWPU-JTQLQIEISA-N 0 3 198.310 1.369 20 0 ADADHN CC(C)[C@H](N)C(=O)N1[C@H](C)CC[C@H]1C 654837100 409396632 /nfs/dbraw/zinc/39/66/32/409396632.db2.gz IONZMHZODAONAD-BBBLOLIVSA-N 0 3 198.310 1.369 20 0 ADADHN C[C@H](O)CN1CCc2ccsc2C1 60193866 409397515 /nfs/dbraw/zinc/39/75/15/409397515.db2.gz PYKLXUZESQYJNL-QMMMGPOBSA-N 0 3 197.303 1.487 20 0 ADADHN C[C@@H](O)CN1CCc2ccsc2C1 60193869 409397782 /nfs/dbraw/zinc/39/77/82/409397782.db2.gz PYKLXUZESQYJNL-MRVPVSSYSA-N 0 3 197.303 1.487 20 0 ADADHN CCC(=O)NC[C@H](N)c1ccccc1 62837971 409400944 /nfs/dbraw/zinc/40/09/44/409400944.db2.gz OFKJEJDEVCWBKB-JTQLQIEISA-N 0 3 192.262 1.213 20 0 ADADHN CCC(=O)NC[C@@H](N)c1ccccc1 62837972 409401194 /nfs/dbraw/zinc/40/11/94/409401194.db2.gz OFKJEJDEVCWBKB-SNVBAGLBSA-N 0 3 192.262 1.213 20 0 ADADHN CCc1nnc(CNCC(C)C)[nH]1 62743622 409401739 /nfs/dbraw/zinc/40/17/39/409401739.db2.gz LHUPIFYUWBGRGR-UHFFFAOYSA-N 0 3 182.271 1.113 20 0 ADADHN CCc1nnc(C[NH2+]CC(C)C)[n-]1 62743622 409401742 /nfs/dbraw/zinc/40/17/42/409401742.db2.gz LHUPIFYUWBGRGR-UHFFFAOYSA-N 0 3 182.271 1.113 20 0 ADADHN CC(C)C[NH2+]Cc1nnc(C2CC2)[n-]1 62743626 409402101 /nfs/dbraw/zinc/40/21/01/409402101.db2.gz BWFLREKTEWXINT-UHFFFAOYSA-N 0 3 194.282 1.428 20 0 ADADHN CC(C)CNCc1nnc(C2CC2)[nH]1 62743626 409402108 /nfs/dbraw/zinc/40/21/08/409402108.db2.gz BWFLREKTEWXINT-UHFFFAOYSA-N 0 3 194.282 1.428 20 0 ADADHN CCCCC(=O)N1CCNCC1(C)C 62568181 409402134 /nfs/dbraw/zinc/40/21/34/409402134.db2.gz WDDZFEWGJCPKDO-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)C[NH2+]Cc1nnc(C(C)C)[n-]1 62743624 409402577 /nfs/dbraw/zinc/40/25/77/409402577.db2.gz YHEOEUOVJQRBLV-UHFFFAOYSA-N 0 3 196.298 1.674 20 0 ADADHN CC(C)CNCc1nnc(C(C)C)[nH]1 62743624 409402580 /nfs/dbraw/zinc/40/25/80/409402580.db2.gz YHEOEUOVJQRBLV-UHFFFAOYSA-N 0 3 196.298 1.674 20 0 ADADHN CCC(C)(C)N1CCN(C(C)=O)CC1 655274829 409404929 /nfs/dbraw/zinc/40/49/29/409404929.db2.gz XZCDZJKUDIQXGW-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN Cc1nc(CNC(C)(C)C)[nH]c1C 68946024 409405734 /nfs/dbraw/zinc/40/57/34/409405734.db2.gz LNCVRPQZNXWWLD-UHFFFAOYSA-N 0 3 181.283 1.915 20 0 ADADHN CCN(CC1CC1)C(=O)[C@@H](N)C(C)C 68946974 409406327 /nfs/dbraw/zinc/40/63/27/409406327.db2.gz CMTOQIPJPYDHNM-JTQLQIEISA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](N)C(=O)NCc1ccsc1 63154775 409406546 /nfs/dbraw/zinc/40/65/46/409406546.db2.gz UZBTWWVPPHNPLC-MRVPVSSYSA-N 0 3 198.291 1.102 20 0 ADADHN CC[C@H](N)C(=O)NCc1ccsc1 63154774 409406660 /nfs/dbraw/zinc/40/66/60/409406660.db2.gz UZBTWWVPPHNPLC-QMMMGPOBSA-N 0 3 198.291 1.102 20 0 ADADHN Cc1nc(CNCC(C)C)[nH]c1C 68946044 409407185 /nfs/dbraw/zinc/40/71/85/409407185.db2.gz LTMBZOUPCRYWGD-UHFFFAOYSA-N 0 3 181.283 1.772 20 0 ADADHN CCN(CC1CC1)C(=O)[C@H](N)C(C)C 68946972 409407528 /nfs/dbraw/zinc/40/75/28/409407528.db2.gz CMTOQIPJPYDHNM-SNVBAGLBSA-N 0 3 198.310 1.228 20 0 ADADHN CCCn1nccc1CNC(C)C 69049569 409408176 /nfs/dbraw/zinc/40/81/76/409408176.db2.gz ZTENQFYEJCXECP-UHFFFAOYSA-N 0 3 181.283 1.791 20 0 ADADHN C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C 69677162 409409286 /nfs/dbraw/zinc/40/92/86/409409286.db2.gz XHQMURPSUORGLP-IMSYWVGJSA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)CCn1cc(C(C)(C)N)nn1 69679460 409408760 /nfs/dbraw/zinc/40/87/60/409408760.db2.gz WCRADSMNQVDPDS-UHFFFAOYSA-N 0 3 196.298 1.518 20 0 ADADHN CCCCn1cc(C(C)(C)N)nn1 69679702 409409049 /nfs/dbraw/zinc/40/90/49/409409049.db2.gz FYKJHDNRPPQFTA-UHFFFAOYSA-N 0 3 182.271 1.272 20 0 ADADHN CC(C)Cn1cc(C(C)(C)N)nn1 69680047 409409902 /nfs/dbraw/zinc/40/99/02/409409902.db2.gz IEJMJBPMCILQJT-UHFFFAOYSA-N 0 3 182.271 1.128 20 0 ADADHN C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 69677171 409409480 /nfs/dbraw/zinc/40/94/80/409409480.db2.gz XHQMURPSUORGLP-DOLQZWNJSA-N 0 3 198.310 1.275 20 0 ADADHN CN[C@@H](C)C(=O)NC(C)(C)C(C)C 655430482 409409530 /nfs/dbraw/zinc/40/95/30/409409530.db2.gz QKSHZYXJSQTSEA-QMMMGPOBSA-N 0 3 186.299 1.145 20 0 ADADHN CN[C@@H](C)C(=O)N(C(C)C)C1CCC1 655439553 409409563 /nfs/dbraw/zinc/40/95/63/409409563.db2.gz ZKIBRFAHKKZVDT-VIFPVBQESA-N 0 3 198.310 1.384 20 0 ADADHN CCCN[C@H](C)c1nccn1CC 69048156 409409643 /nfs/dbraw/zinc/40/96/43/409409643.db2.gz QETDUTHKBKCVFZ-SECBINFHSA-N 0 3 181.283 1.964 20 0 ADADHN CCCn1nccc1CNC1CC1 69049575 409409892 /nfs/dbraw/zinc/40/98/92/409409892.db2.gz WYCSOSHRAJJNMJ-UHFFFAOYSA-N 0 3 179.267 1.545 20 0 ADADHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](C)N)[C@H](C)C1 69677069 409409936 /nfs/dbraw/zinc/40/99/36/409409936.db2.gz XHQMURPSUORGLP-ZYUZMQFOSA-N 0 3 198.310 1.275 20 0 ADADHN C[C@@H]1CC[C@H](NC(=O)[C@@H](C)N)[C@H](C)C1 69677060 409410112 /nfs/dbraw/zinc/41/01/12/409410112.db2.gz XHQMURPSUORGLP-KYXWUPHJSA-N 0 3 198.310 1.275 20 0 ADADHN CCCN[C@@H](C)c1nccn1CC 69048154 409410321 /nfs/dbraw/zinc/41/03/21/409410321.db2.gz QETDUTHKBKCVFZ-VIFPVBQESA-N 0 3 181.283 1.964 20 0 ADADHN CC[C@@H](O)CN1CCSC[C@@H]1C 69761315 409411048 /nfs/dbraw/zinc/41/10/48/409411048.db2.gz BYOJBVJZJJZUSS-DTWKUNHWSA-N 0 3 189.324 1.195 20 0 ADADHN CN[C@@H](C)C(=O)N1CCCC[C@H](C)C1 655473072 409411867 /nfs/dbraw/zinc/41/18/67/409411867.db2.gz BRVLMHSKGZBDJZ-UWVGGRQHSA-N 0 3 198.310 1.243 20 0 ADADHN CN[C@@H](C)C(=O)N1CCCC[C@@H](C)C1 655473075 409412257 /nfs/dbraw/zinc/41/22/57/409412257.db2.gz BRVLMHSKGZBDJZ-ZJUUUORDSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](O)CN1CCSC[C@@H]1C 69761314 409412560 /nfs/dbraw/zinc/41/25/60/409412560.db2.gz BYOJBVJZJJZUSS-IUCAKERBSA-N 0 3 189.324 1.195 20 0 ADADHN COCCN[C@H](C)c1cncnc1C 655684381 409413038 /nfs/dbraw/zinc/41/30/38/409413038.db2.gz QLOPPQKTEOLJLJ-MRVPVSSYSA-N 0 3 195.266 1.082 20 0 ADADHN Cc1ncncc1[C@H](C)NC1CC1 655681049 409413146 /nfs/dbraw/zinc/41/31/46/409413146.db2.gz YEQYOPYKAWUONH-QMMMGPOBSA-N 0 3 177.251 1.598 20 0 ADADHN CCCN[C@H]1CCCn2ccnc21 655680251 409413649 /nfs/dbraw/zinc/41/36/49/409413649.db2.gz IWTRSGGRVCCLQY-VIFPVBQESA-N 0 3 179.267 1.718 20 0 ADADHN CC(C)CN[C@H]1CCCn2ccnc21 655680808 409413881 /nfs/dbraw/zinc/41/38/81/409413881.db2.gz SJLFMWZNEJDSNF-JTQLQIEISA-N 0 3 193.294 1.964 20 0 ADADHN Cc1ncncc1[C@@H](C)NC1CC1 655681048 409414050 /nfs/dbraw/zinc/41/40/50/409414050.db2.gz YEQYOPYKAWUONH-MRVPVSSYSA-N 0 3 177.251 1.598 20 0 ADADHN CC(C)CN[C@@H]1CCCn2ccnc21 655680810 409414127 /nfs/dbraw/zinc/41/41/27/409414127.db2.gz SJLFMWZNEJDSNF-SNVBAGLBSA-N 0 3 193.294 1.964 20 0 ADADHN CCCN[C@@H]1CCCn2ccnc21 655680249 409414472 /nfs/dbraw/zinc/41/44/72/409414472.db2.gz IWTRSGGRVCCLQY-SECBINFHSA-N 0 3 179.267 1.718 20 0 ADADHN c1cn2c(n1)[C@@H](NC1CCC1)CCC2 655727299 409415463 /nfs/dbraw/zinc/41/54/63/409415463.db2.gz MDXOEMFKEWRCRW-JTQLQIEISA-N 0 3 191.278 1.860 20 0 ADADHN Cc1ncncc1[C@@H](C)NC1CCC1 655727770 409415478 /nfs/dbraw/zinc/41/54/78/409415478.db2.gz PYNYZWRWXOALLP-SECBINFHSA-N 0 3 191.278 1.988 20 0 ADADHN c1cn2c(n1)[C@H](NC1CCC1)CCC2 655727300 409415579 /nfs/dbraw/zinc/41/55/79/409415579.db2.gz MDXOEMFKEWRCRW-SNVBAGLBSA-N 0 3 191.278 1.860 20 0 ADADHN c1cn2c(n1)[C@@H](NCC1CC1)CCC2 655687107 409416016 /nfs/dbraw/zinc/41/60/16/409416016.db2.gz VBZOSRDIIHXTCX-JTQLQIEISA-N 0 3 191.278 1.718 20 0 ADADHN c1cn2c(n1)[C@H](NCC1CC1)CCC2 655687108 409416274 /nfs/dbraw/zinc/41/62/74/409416274.db2.gz VBZOSRDIIHXTCX-SNVBAGLBSA-N 0 3 191.278 1.718 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1cnccn1 70025002 409416302 /nfs/dbraw/zinc/41/63/02/409416302.db2.gz QPEBQIBLDYQAHJ-BDAKNGLRSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@H](N[C@@H](C)C1CC1)c1nccn1C 70007622 409416318 /nfs/dbraw/zinc/41/63/18/409416318.db2.gz FJQKKEOTDNCNTC-IUCAKERBSA-N 0 3 193.294 1.869 20 0 ADADHN Cc1ncncc1[C@H](C)NC1CCC1 655727771 409416386 /nfs/dbraw/zinc/41/63/86/409416386.db2.gz PYNYZWRWXOALLP-VIFPVBQESA-N 0 3 191.278 1.988 20 0 ADADHN CC(=O)CN(CC1CC1)CC1CC1 70064356 409417047 /nfs/dbraw/zinc/41/70/47/409417047.db2.gz KFNRXDSBEKDJRB-UHFFFAOYSA-N 0 3 181.279 1.697 20 0 ADADHN C[C@H](N[C@H](C)c1cnccn1)C1CC1 70024999 409417059 /nfs/dbraw/zinc/41/70/59/409417059.db2.gz QPEBQIBLDYQAHJ-DTWKUNHWSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1cnccn1 70025005 409417280 /nfs/dbraw/zinc/41/72/80/409417280.db2.gz QPEBQIBLDYQAHJ-RKDXNWHRSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@H](N[C@@H](C)C1CC1)c1cnccn1 70024998 409417288 /nfs/dbraw/zinc/41/72/88/409417288.db2.gz QPEBQIBLDYQAHJ-IUCAKERBSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1nccn1C 70007627 409417364 /nfs/dbraw/zinc/41/73/64/409417364.db2.gz FJQKKEOTDNCNTC-RKDXNWHRSA-N 0 3 193.294 1.869 20 0 ADADHN CC1(NCc2cc[nH]n2)CC=CC1 655813795 409417377 /nfs/dbraw/zinc/41/73/77/409417377.db2.gz BPJRDSNJRBUTMY-UHFFFAOYSA-N 0 3 177.251 1.608 20 0 ADADHN C[C@H](N[C@H](C)c1nccn1C)C1CC1 70007624 409417428 /nfs/dbraw/zinc/41/74/28/409417428.db2.gz FJQKKEOTDNCNTC-DTWKUNHWSA-N 0 3 193.294 1.869 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1nccn1C 70007626 409417487 /nfs/dbraw/zinc/41/74/87/409417487.db2.gz FJQKKEOTDNCNTC-BDAKNGLRSA-N 0 3 193.294 1.869 20 0 ADADHN Cn1nncc1CNC1(C)CC=CC1 655814293 409417601 /nfs/dbraw/zinc/41/76/01/409417601.db2.gz KWGZFHMOQHFFJX-UHFFFAOYSA-N 0 3 192.266 1.013 20 0 ADADHN CC1(NCc2ncc[nH]2)CC=CC1 655815176 409417621 /nfs/dbraw/zinc/41/76/21/409417621.db2.gz XUSOZMROQVIJMK-UHFFFAOYSA-N 0 3 177.251 1.608 20 0 ADADHN Cn1nccc1CNC1(C)CC=CC1 655814178 409417759 /nfs/dbraw/zinc/41/77/59/409417759.db2.gz IOAFZDVTZDKOHN-UHFFFAOYSA-N 0 3 191.278 1.618 20 0 ADADHN Cn1ccc(CNC2(C)CC=CC2)n1 655815194 409418078 /nfs/dbraw/zinc/41/80/78/409418078.db2.gz YHOZAERCMVQXEG-UHFFFAOYSA-N 0 3 191.278 1.618 20 0 ADADHN Cn1cc(CNC2(C)CC=CC2)cn1 655815055 409418181 /nfs/dbraw/zinc/41/81/81/409418181.db2.gz UCWYADIDSSPJCQ-UHFFFAOYSA-N 0 3 191.278 1.618 20 0 ADADHN Cc1c[nH]nc1CNC1(C)CC=CC1 655816021 409418668 /nfs/dbraw/zinc/41/86/68/409418668.db2.gz MUENQISTEIRKRC-UHFFFAOYSA-N 0 3 191.278 1.916 20 0 ADADHN Cn1cncc1CNC1(C)CC=CC1 655813886 409418754 /nfs/dbraw/zinc/41/87/54/409418754.db2.gz CUCILELASXJMIA-UHFFFAOYSA-N 0 3 191.278 1.618 20 0 ADADHN CCCC(=O)NC[C@H]1CCCN1CC 70225264 409420683 /nfs/dbraw/zinc/42/06/83/409420683.db2.gz XCNJLSPLEJQEBU-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCC(=O)NC[C@@H]1CCCN1CC 70225263 409421415 /nfs/dbraw/zinc/42/14/15/409421415.db2.gz XCNJLSPLEJQEBU-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)(C)C(=O)NCCN1CCCC1 70225415 409421596 /nfs/dbraw/zinc/42/15/96/409421596.db2.gz YJUPNQWFLADUBV-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN C[C@@H](CNC(=O)C(C)(C)C)N(C)C 70226252 409422977 /nfs/dbraw/zinc/42/29/77/409422977.db2.gz YXYHKRLHJSYPTK-QMMMGPOBSA-N 0 3 186.299 1.099 20 0 ADADHN C[C@H](CNC(=O)C(C)(C)C)N(C)C 70226253 409423121 /nfs/dbraw/zinc/42/31/21/409423121.db2.gz YXYHKRLHJSYPTK-MRVPVSSYSA-N 0 3 186.299 1.099 20 0 ADADHN CCC(=O)NCCN1CCC(C)CC1 70226882 409424762 /nfs/dbraw/zinc/42/47/62/409424762.db2.gz MHPCUKNEBHFHLB-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCC(=O)N[C@@H](C)CN1CCCCC1 70226690 409424992 /nfs/dbraw/zinc/42/49/92/409424992.db2.gz XYJZHFQGTZFCLQ-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCC(=O)N[C@H](C)CN1CCCCC1 70226691 409425144 /nfs/dbraw/zinc/42/51/44/409425144.db2.gz XYJZHFQGTZFCLQ-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCCC(=O)NCCN1CCCCC1 70226857 409425641 /nfs/dbraw/zinc/42/56/41/409425641.db2.gz ABTFOCOUBVBYEG-UHFFFAOYSA-N 0 3 198.310 1.389 20 0 ADADHN CC(C)[C@H](N)C(=O)NC1(C)CC=CC1 656359450 409427239 /nfs/dbraw/zinc/42/72/39/409427239.db2.gz LLCKKYRZTJHMDK-VIFPVBQESA-N 0 3 196.294 1.195 20 0 ADADHN C[C@@H](c1ccco1)N(C)C[C@@H](C)O 656420672 409428639 /nfs/dbraw/zinc/42/86/39/409428639.db2.gz FCBCHTXMNPFROT-BDAKNGLRSA-N 0 3 183.251 1.653 20 0 ADADHN CCCN(CC)Cc1cnccn1 656396684 409429049 /nfs/dbraw/zinc/42/90/49/409429049.db2.gz CFGRHLQWOHXUDN-UHFFFAOYSA-N 0 3 179.267 1.709 20 0 ADADHN CC(C)n1cc([C@@H](N)C(C)(C)C)nn1 656439844 409429199 /nfs/dbraw/zinc/42/91/99/409429199.db2.gz DQCLGHPQQWICPK-SECBINFHSA-N 0 3 196.298 1.905 20 0 ADADHN C[C@H](O)CN(C)[C@@H](C)c1ccco1 656420674 409429211 /nfs/dbraw/zinc/42/92/11/409429211.db2.gz FCBCHTXMNPFROT-IUCAKERBSA-N 0 3 183.251 1.653 20 0 ADADHN C[C@@H](O)CN(C)[C@H](C)c1ccco1 656420675 409429546 /nfs/dbraw/zinc/42/95/46/409429546.db2.gz FCBCHTXMNPFROT-RKDXNWHRSA-N 0 3 183.251 1.653 20 0 ADADHN CC(C)n1cc([C@H](N)C(C)(C)C)nn1 656439845 409429716 /nfs/dbraw/zinc/42/97/16/409429716.db2.gz DQCLGHPQQWICPK-VIFPVBQESA-N 0 3 196.298 1.905 20 0 ADADHN CCn1nncc1CNC(C)(C)CC 656411480 409429721 /nfs/dbraw/zinc/42/97/21/409429721.db2.gz DGWNGVRGZLXRFD-UHFFFAOYSA-N 0 3 196.298 1.576 20 0 ADADHN CN(CCn1cc(Cl)cn1)C1CC1 656411496 409430074 /nfs/dbraw/zinc/43/00/74/409430074.db2.gz KSUVACRJEMTNMB-UHFFFAOYSA-N 0 3 199.685 1.631 20 0 ADADHN CC(C)Cn1cc(CCN(C)C)nn1 656443273 409431217 /nfs/dbraw/zinc/43/12/17/409431217.db2.gz ZQPYPIWGWLNVEP-UHFFFAOYSA-N 0 3 196.298 1.038 20 0 ADADHN CCCCn1cc(CCN(C)C)nn1 656442842 409431280 /nfs/dbraw/zinc/43/12/80/409431280.db2.gz GQVJFUABAAXACI-UHFFFAOYSA-N 0 3 196.298 1.182 20 0 ADADHN CC(C)Cn1nccc1CNC1CC1 70631755 409432806 /nfs/dbraw/zinc/43/28/06/409432806.db2.gz WERSEJDLKGTGQB-UHFFFAOYSA-N 0 3 193.294 1.791 20 0 ADADHN CC(C)(C)[C@@H](N)c1cn(C2CC2)nn1 656456108 409433143 /nfs/dbraw/zinc/43/31/43/409433143.db2.gz ZIKMEPBVMZKRCZ-VIFPVBQESA-N 0 3 194.282 1.659 20 0 ADADHN CN(C)CCc1cn(C(C)(C)C)nn1 656455038 409433474 /nfs/dbraw/zinc/43/34/74/409433474.db2.gz WVVARRYRTNNWPF-UHFFFAOYSA-N 0 3 196.298 1.137 20 0 ADADHN CC(C)(C)[C@H](N)c1cn(C2CC2)nn1 656456107 409433723 /nfs/dbraw/zinc/43/37/23/409433723.db2.gz ZIKMEPBVMZKRCZ-SECBINFHSA-N 0 3 194.282 1.659 20 0 ADADHN Cc1ccc(CN[C@H]2CCCOC2)o1 71011119 409436875 /nfs/dbraw/zinc/43/68/75/409436875.db2.gz DBQRYQMPXXLFAT-JTQLQIEISA-N 0 3 195.262 1.857 20 0 ADADHN Cn1cncc1CCN1CC=CCC1 656494734 409437634 /nfs/dbraw/zinc/43/76/34/409437634.db2.gz JSNUYNCJMIWMIK-UHFFFAOYSA-N 0 3 191.278 1.225 20 0 ADADHN Cc1ccc(CN[C@@H]2CCCOC2)o1 71011115 409437820 /nfs/dbraw/zinc/43/78/20/409437820.db2.gz DBQRYQMPXXLFAT-SNVBAGLBSA-N 0 3 195.262 1.857 20 0 ADADHN C[C@H](CCCO)NCc1cccnc1 87358864 409440197 /nfs/dbraw/zinc/44/01/97/409440197.db2.gz HAVPDNXGWWBXGO-SNVBAGLBSA-N 0 3 194.278 1.332 20 0 ADADHN CCOC1CN(C[C@@H](C)CC)C1 656657880 409444568 /nfs/dbraw/zinc/44/45/68/409444568.db2.gz FCADBRNYARCWQT-VIFPVBQESA-N 0 3 171.284 1.753 20 0 ADADHN CC[C@H](C)CN1CC(C)(OC)C1 656622534 409444791 /nfs/dbraw/zinc/44/47/91/409444791.db2.gz POHYPHJNBMAEDZ-VIFPVBQESA-N 0 3 171.284 1.753 20 0 ADADHN CCOC1CN(C[C@H](C)CC)C1 656657879 409445194 /nfs/dbraw/zinc/44/51/94/409445194.db2.gz FCADBRNYARCWQT-SECBINFHSA-N 0 3 171.284 1.753 20 0 ADADHN CC[C@@H](C)CN1CC(C)(OC)C1 656622533 409445404 /nfs/dbraw/zinc/44/54/04/409445404.db2.gz POHYPHJNBMAEDZ-SECBINFHSA-N 0 3 171.284 1.753 20 0 ADADHN CN(C)CC(C)(C)NCc1ccon1 656614340 409445840 /nfs/dbraw/zinc/44/58/40/409445840.db2.gz VEVYFVOIKDNYGJ-UHFFFAOYSA-N 0 3 197.282 1.104 20 0 ADADHN CN(C)CC(C)(C)NCc1ccno1 656612362 409446009 /nfs/dbraw/zinc/44/60/09/409446009.db2.gz OWQHVKLRSWMOGS-UHFFFAOYSA-N 0 3 197.282 1.104 20 0 ADADHN COCC1(C)CN(CC2CC2)C1 656779493 409450397 /nfs/dbraw/zinc/45/03/97/409450397.db2.gz CQPYRYKBYPKTQU-UHFFFAOYSA-N 0 3 169.268 1.365 20 0 ADADHN COCC1(C)CN(CC2(C)CC2)C1 656785734 409450770 /nfs/dbraw/zinc/45/07/70/409450770.db2.gz WARPDTKBMHACPM-UHFFFAOYSA-N 0 3 183.295 1.755 20 0 ADADHN CCO[C@H]1C[C@@H](NCc2ccco2)C1 656873411 409454596 /nfs/dbraw/zinc/45/45/96/409454596.db2.gz OXAKZMNAJSAAIJ-JGZJWPJOSA-N 0 3 195.262 1.937 20 0 ADADHN Cc1ncc(CNC[C@@H]2C[C@H]2C)o1 657102911 409457155 /nfs/dbraw/zinc/45/71/55/409457155.db2.gz XNCGZICDNBCOLA-APPZFPTMSA-N 0 3 180.251 1.729 20 0 ADADHN Cc1ncc(CNCC2(C)CC2)o1 657102909 409457283 /nfs/dbraw/zinc/45/72/83/409457283.db2.gz WYDWYIJHPQRNHJ-UHFFFAOYSA-N 0 3 180.251 1.873 20 0 ADADHN CC(C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 657068682 409457642 /nfs/dbraw/zinc/45/76/42/409457642.db2.gz NUCMOTBYZGSUJI-UHFFFAOYSA-N 0 3 196.298 1.600 20 0 ADADHN Cc1ncc(CNC[C@@H]2C[C@@H]2C)o1 657102912 409457682 /nfs/dbraw/zinc/45/76/82/409457682.db2.gz XNCGZICDNBCOLA-CBAPKCEASA-N 0 3 180.251 1.729 20 0 ADADHN Cc1ncc(CNC[C@H]2C[C@H]2C)o1 657102914 409457717 /nfs/dbraw/zinc/45/77/17/409457717.db2.gz XNCGZICDNBCOLA-VXNVDRBHSA-N 0 3 180.251 1.729 20 0 ADADHN Cc1ncc(CNC[C@H]2C[C@@H]2C)o1 657102913 409458016 /nfs/dbraw/zinc/45/80/16/409458016.db2.gz XNCGZICDNBCOLA-IONNQARKSA-N 0 3 180.251 1.729 20 0 ADADHN CN1CCC[C@@H]1CNCc1ccco1 107776406 409458521 /nfs/dbraw/zinc/45/85/21/409458521.db2.gz XEAZVRHWHQSNPZ-SNVBAGLBSA-N 0 3 194.278 1.463 20 0 ADADHN C[C@@H](NCC1CC1)c1ccn(C)n1 657225419 409458541 /nfs/dbraw/zinc/45/85/41/409458541.db2.gz SBNIXEGBFOPKGF-MRVPVSSYSA-N 0 3 179.267 1.481 20 0 ADADHN CC(C)CN[C@H](C)c1ccn(C)n1 657225421 409458560 /nfs/dbraw/zinc/45/85/60/409458560.db2.gz UIECVOBPJQRQCZ-SECBINFHSA-N 0 3 181.283 1.727 20 0 ADADHN CC(=O)CN1CC[C@@H](C(C)(C)C)C1 108296180 409459187 /nfs/dbraw/zinc/45/91/87/409459187.db2.gz YDPIXFIKQXTWAD-SNVBAGLBSA-N 0 3 183.295 1.943 20 0 ADADHN CC(C)CN[C@@H](C)c1ccn(C)n1 657225422 409459388 /nfs/dbraw/zinc/45/93/88/409459388.db2.gz UIECVOBPJQRQCZ-VIFPVBQESA-N 0 3 181.283 1.727 20 0 ADADHN CC(=O)N[C@H](C)CN1CCC(C)CC1 657180436 409459444 /nfs/dbraw/zinc/45/94/44/409459444.db2.gz KSUVBWRNNQRXMG-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](NCC1CC1)c1ccn(C)n1 657225420 409459533 /nfs/dbraw/zinc/45/95/33/409459533.db2.gz SBNIXEGBFOPKGF-QMMMGPOBSA-N 0 3 179.267 1.481 20 0 ADADHN CC(=O)N[C@@H](C)CN1CCC(C)CC1 657180435 409459828 /nfs/dbraw/zinc/45/98/28/409459828.db2.gz KSUVBWRNNQRXMG-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H]1OCC[C@H]1NCc1cn[nH]c1 657245079 409460681 /nfs/dbraw/zinc/46/06/81/409460681.db2.gz IFHRTBSQNHRQFA-ZJUUUORDSA-N 0 3 195.266 1.067 20 0 ADADHN CC(=O)CN1CC[C@H](C(C)(C)C)C1 108296178 409460023 /nfs/dbraw/zinc/46/00/23/409460023.db2.gz YDPIXFIKQXTWAD-JTQLQIEISA-N 0 3 183.295 1.943 20 0 ADADHN CC[C@@H]1CCN(CC(C)=O)C1 108283421 409460147 /nfs/dbraw/zinc/46/01/47/409460147.db2.gz KJTRXHJBFCBRGM-SECBINFHSA-N 0 3 155.241 1.307 20 0 ADADHN CC[C@H]1CCN(CC(C)=O)C1 108283424 409460304 /nfs/dbraw/zinc/46/03/04/409460304.db2.gz KJTRXHJBFCBRGM-VIFPVBQESA-N 0 3 155.241 1.307 20 0 ADADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccn(C)n1 657227288 409460450 /nfs/dbraw/zinc/46/04/50/409460450.db2.gz IBIIPKZTNQQWDZ-KXUCPTDWSA-N 0 3 193.294 1.869 20 0 ADADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccn(C)n1 657227302 409460464 /nfs/dbraw/zinc/46/04/64/409460464.db2.gz JLPZAWAFFLNCNZ-KXUCPTDWSA-N 0 3 193.294 1.727 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1ccn(C)n1 657227248 409460475 /nfs/dbraw/zinc/46/04/75/409460475.db2.gz CWRKIERJENQUSC-RKDXNWHRSA-N 0 3 193.294 1.869 20 0 ADADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccn(C)n1 657227304 409460506 /nfs/dbraw/zinc/46/05/06/409460506.db2.gz JLPZAWAFFLNCNZ-UTLUCORTSA-N 0 3 193.294 1.727 20 0 ADADHN C[C@H](N[C@@H](C)C1CC1)c1ccn(C)n1 657227246 409460527 /nfs/dbraw/zinc/46/05/27/409460527.db2.gz CWRKIERJENQUSC-IUCAKERBSA-N 0 3 193.294 1.869 20 0 ADADHN CCNC(=O)CN(C)C1CC(C)(C)C1 657242087 409460558 /nfs/dbraw/zinc/46/05/58/409460558.db2.gz MLHGBTHCKGGGOJ-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1ccn(C)n1 657227241 409460590 /nfs/dbraw/zinc/46/05/90/409460590.db2.gz CWRKIERJENQUSC-BDAKNGLRSA-N 0 3 193.294 1.869 20 0 ADADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccn(C)n1 657227287 409460669 /nfs/dbraw/zinc/46/06/69/409460669.db2.gz IBIIPKZTNQQWDZ-GUBZILKMSA-N 0 3 193.294 1.869 20 0 ADADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccn(C)n1 657227290 409460717 /nfs/dbraw/zinc/46/07/17/409460717.db2.gz IBIIPKZTNQQWDZ-LPEHRKFASA-N 0 3 193.294 1.869 20 0 ADADHN CC[C@@H]1OCC[C@H]1NCc1cc[nH]c1 657245010 409460745 /nfs/dbraw/zinc/46/07/45/409460745.db2.gz WKIVGZBCKZNYEY-MNOVXSKESA-N 0 3 194.278 1.672 20 0 ADADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccn(C)n1 657227292 409460753 /nfs/dbraw/zinc/46/07/53/409460753.db2.gz IBIIPKZTNQQWDZ-UTLUCORTSA-N 0 3 193.294 1.869 20 0 ADADHN C[C@H](N[C@H](C)c1ccn(C)n1)C1CC1 657227244 409460922 /nfs/dbraw/zinc/46/09/22/409460922.db2.gz CWRKIERJENQUSC-DTWKUNHWSA-N 0 3 193.294 1.869 20 0 ADADHN CC[C@@H]1OCC[C@H]1NCc1ccco1 657245073 409461035 /nfs/dbraw/zinc/46/10/35/409461035.db2.gz BQTUVZUNWFWQBK-MNOVXSKESA-N 0 3 195.262 1.937 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccn(C)n1 657227303 409461260 /nfs/dbraw/zinc/46/12/60/409461260.db2.gz JLPZAWAFFLNCNZ-LPEHRKFASA-N 0 3 193.294 1.727 20 0 ADADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccn(C)n1 657227299 409461350 /nfs/dbraw/zinc/46/13/50/409461350.db2.gz JLPZAWAFFLNCNZ-GUBZILKMSA-N 0 3 193.294 1.727 20 0 ADADHN COCCN1CCC(C)(F)CC1 113073424 409462900 /nfs/dbraw/zinc/46/29/00/409462900.db2.gz HSSBONFXGUEINB-UHFFFAOYSA-N 0 3 175.247 1.457 20 0 ADADHN COCCCN1CCSCC1 113081411 409462957 /nfs/dbraw/zinc/46/29/57/409462957.db2.gz WAYORJCQKXKXNK-UHFFFAOYSA-N 0 3 175.297 1.072 20 0 ADADHN CCCCCN1CCC[C@H]1C(N)=O 117226814 409465252 /nfs/dbraw/zinc/46/52/52/409465252.db2.gz BKIBWFLIMBWURJ-VIFPVBQESA-N 0 3 184.283 1.126 20 0 ADADHN CCC[C@H](C)NCc1nc(C)c[nH]1 657284729 409465460 /nfs/dbraw/zinc/46/54/60/409465460.db2.gz SIXBMFYGFKJYGK-QMMMGPOBSA-N 0 3 181.283 1.996 20 0 ADADHN CCCCNCc1nc(C)c(C)[nH]1 657285381 409465600 /nfs/dbraw/zinc/46/56/00/409465600.db2.gz BDURLVICHIWNFO-UHFFFAOYSA-N 0 3 181.283 1.916 20 0 ADADHN Cn1ncc(C2CC2)c1CNC1CC1 657285539 409465859 /nfs/dbraw/zinc/46/58/59/409465859.db2.gz IMTQBCVFBZAWNX-UHFFFAOYSA-N 0 3 191.278 1.550 20 0 ADADHN c1nc2n(c1CNC1CC1)CCC2 657285258 409466245 /nfs/dbraw/zinc/46/62/45/409466245.db2.gz AKHLEFLVGZHGKI-UHFFFAOYSA-N 0 3 177.251 1.081 20 0 ADADHN CCC[C@@H](C)NCc1nc(C)c[nH]1 657284727 409466260 /nfs/dbraw/zinc/46/62/60/409466260.db2.gz SIXBMFYGFKJYGK-MRVPVSSYSA-N 0 3 181.283 1.996 20 0 ADADHN CC(C)NCc1c(C2CC2)cnn1C 657287493 409466959 /nfs/dbraw/zinc/46/69/59/409466959.db2.gz OHZOKAALLJRHGS-UHFFFAOYSA-N 0 3 193.294 1.796 20 0 ADADHN Cc1nc(CN[C@H](C)C2CC2)[nH]c1C 657293443 409467042 /nfs/dbraw/zinc/46/70/42/409467042.db2.gz MWDHCSMRKZXKRB-SECBINFHSA-N 0 3 193.294 1.915 20 0 ADADHN CCOCCN1CCC[C@@H]2COC[C@@H]21 657293642 409467052 /nfs/dbraw/zinc/46/70/52/409467052.db2.gz LGDIGYUEQAMIIM-MNOVXSKESA-N 0 3 199.294 1.134 20 0 ADADHN C[C@@H](O)CN1CC(c2ccccc2)C1 123262652 409467057 /nfs/dbraw/zinc/46/70/57/409467057.db2.gz BFVRQTDNYDKVBC-SNVBAGLBSA-N 0 3 191.274 1.467 20 0 ADADHN CC(C)NCc1cnc2n1CCC2 657287006 409467103 /nfs/dbraw/zinc/46/71/03/409467103.db2.gz FYDPDOUXXMUZAI-UHFFFAOYSA-N 0 3 179.267 1.327 20 0 ADADHN CCCCCNCc1nc(C)c[nH]1 657287327 409467142 /nfs/dbraw/zinc/46/71/42/409467142.db2.gz KUSHKIBBGOFDDC-UHFFFAOYSA-N 0 3 181.283 1.998 20 0 ADADHN C[C@H](O)CN1CC(c2ccccc2)C1 123262390 409467248 /nfs/dbraw/zinc/46/72/48/409467248.db2.gz BFVRQTDNYDKVBC-JTQLQIEISA-N 0 3 191.274 1.467 20 0 ADADHN Cc1c[nH]c(CNCC(C)C)n1 657287381 409467279 /nfs/dbraw/zinc/46/72/79/409467279.db2.gz ZIAWNSYSZSETRM-UHFFFAOYSA-N 0 3 167.256 1.464 20 0 ADADHN CC(C)NCc1ccnn1CC1CC1 657287480 409467361 /nfs/dbraw/zinc/46/73/61/409467361.db2.gz NMRLUQLIIPBJOL-UHFFFAOYSA-N 0 3 193.294 1.791 20 0 ADADHN CCNCc1c(C2CC2)cnn1C 657292424 409467451 /nfs/dbraw/zinc/46/74/51/409467451.db2.gz KJZQZOKUXWTSTM-UHFFFAOYSA-N 0 3 179.267 1.407 20 0 ADADHN COCCCNCc1nc(C)c(C)[nH]1 657285775 409467465 /nfs/dbraw/zinc/46/74/65/409467465.db2.gz AXTYHVLAZIIICA-UHFFFAOYSA-N 0 3 197.282 1.153 20 0 ADADHN c1cc(CNC2CC2)n(CC2CC2)n1 657286215 409467500 /nfs/dbraw/zinc/46/75/00/409467500.db2.gz VJUQKUNXQZEQAM-UHFFFAOYSA-N 0 3 191.278 1.545 20 0 ADADHN CCOCCCNCc1nc(C)c[nH]1 657285895 409467596 /nfs/dbraw/zinc/46/75/96/409467596.db2.gz OVPXIXWOPLIZBE-UHFFFAOYSA-N 0 3 197.282 1.234 20 0 ADADHN CCC(CC)NCc1nc(C)c[nH]1 657286595 409467619 /nfs/dbraw/zinc/46/76/19/409467619.db2.gz PZXOWHQPGYVXEF-UHFFFAOYSA-N 0 3 181.283 1.996 20 0 ADADHN CCCNCc1ccnn1CC1CC1 657286499 409467625 /nfs/dbraw/zinc/46/76/25/409467625.db2.gz ZETYZFDORLXQCE-UHFFFAOYSA-N 0 3 193.294 1.793 20 0 ADADHN Cc1c[nH]c(CN[C@H](C)C2CC2)n1 657293343 409467688 /nfs/dbraw/zinc/46/76/88/409467688.db2.gz MBKRCGTYVNXUPR-MRVPVSSYSA-N 0 3 179.267 1.606 20 0 ADADHN Cc1c[nH]c(CN[C@@H](C)C2CC2)n1 657293345 409467704 /nfs/dbraw/zinc/46/77/04/409467704.db2.gz MBKRCGTYVNXUPR-QMMMGPOBSA-N 0 3 179.267 1.606 20 0 ADADHN CC[C@@H](O)CNCc1ccoc1 123405271 409467895 /nfs/dbraw/zinc/46/78/95/409467895.db2.gz FVSMHOKFHHZKMY-SECBINFHSA-N 0 3 169.224 1.140 20 0 ADADHN Cc1c[nH]c(CNCCC(C)C)n1 657286396 409468022 /nfs/dbraw/zinc/46/80/22/409468022.db2.gz MZAZSRQLDRATNI-UHFFFAOYSA-N 0 3 181.283 1.854 20 0 ADADHN CC[C@H](O)CNCc1ccoc1 123405040 409468029 /nfs/dbraw/zinc/46/80/29/409468029.db2.gz FVSMHOKFHHZKMY-VIFPVBQESA-N 0 3 169.224 1.140 20 0 ADADHN CCCNCc1nccn1C(C)C 657286165 409468131 /nfs/dbraw/zinc/46/81/31/409468131.db2.gz SQWYYTWJVISEBF-UHFFFAOYSA-N 0 3 181.283 1.964 20 0 ADADHN CCCCNCc1nc(C)c[nH]1 657286738 409468328 /nfs/dbraw/zinc/46/83/28/409468328.db2.gz QYXXBOGRJQIICR-UHFFFAOYSA-N 0 3 167.256 1.608 20 0 ADADHN Cc1nc(CN[C@@H](C)C2CC2)[nH]c1C 657293447 409468369 /nfs/dbraw/zinc/46/83/69/409468369.db2.gz MWDHCSMRKZXKRB-VIFPVBQESA-N 0 3 193.294 1.915 20 0 ADADHN Cc1c[nH]c(CNC[C@@H]2C[C@@H]2C)n1 657309597 409469437 /nfs/dbraw/zinc/46/94/37/409469437.db2.gz HFEUXPMOSAQTDY-CBAPKCEASA-N 0 3 179.267 1.464 20 0 ADADHN Cc1ncc(CN[C@@H]2CC2(C)C)n1C 657327502 409469124 /nfs/dbraw/zinc/46/91/24/409469124.db2.gz XNWCTDGHBJXFHD-SNVBAGLBSA-N 0 3 193.294 1.617 20 0 ADADHN Cc1c[nH]c(CNC[C@H](C)C2CC2)n1 657328591 409469182 /nfs/dbraw/zinc/46/91/82/409469182.db2.gz AQCJFOARYYJQQB-QMMMGPOBSA-N 0 3 193.294 1.854 20 0 ADADHN Cc1nc(CNC[C@H]2C[C@H]2C)[nH]c1C 657310261 409469290 /nfs/dbraw/zinc/46/92/90/409469290.db2.gz KTNQNGPPKGMILX-GMSGAONNSA-N 0 3 193.294 1.772 20 0 ADADHN Cc1c[nH]c(CNC[C@@H]2C[C@H]2C)n1 657309595 409469331 /nfs/dbraw/zinc/46/93/31/409469331.db2.gz HFEUXPMOSAQTDY-APPZFPTMSA-N 0 3 179.267 1.464 20 0 ADADHN CCCCN[C@@H](C)c1ccn(C)n1 657319708 409469683 /nfs/dbraw/zinc/46/96/83/409469683.db2.gz SIDJDZQQLMLCQL-VIFPVBQESA-N 0 3 181.283 1.871 20 0 ADADHN CC[C@@H](C)N[C@H](C)c1ccn(C)n1 657312193 409469379 /nfs/dbraw/zinc/46/93/79/409469379.db2.gz KOENVEOLXQTLGW-RKDXNWHRSA-N 0 3 181.283 1.869 20 0 ADADHN C[C@@H](NCCC1CC1)c1ccn(C)n1 657312226 409469384 /nfs/dbraw/zinc/46/93/84/409469384.db2.gz WLOONITXENUBRI-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN Cc1nc(CNC[C@H]2C[C@@H]2C)[nH]c1C 657310269 409469409 /nfs/dbraw/zinc/46/94/09/409469409.db2.gz KTNQNGPPKGMILX-OIBJUYFYSA-N 0 3 193.294 1.772 20 0 ADADHN c1nc2n(c1CN1CCCC1)CCC2 657295166 409469475 /nfs/dbraw/zinc/46/94/75/409469475.db2.gz JPSVQIPZBPRYME-UHFFFAOYSA-N 0 3 191.278 1.425 20 0 ADADHN CC(C)n1ccnc1CNCC1CC1 657303667 409469510 /nfs/dbraw/zinc/46/95/10/409469510.db2.gz FNWXURLMSAMXML-UHFFFAOYSA-N 0 3 193.294 1.964 20 0 ADADHN Cc1nc(CNC[C@@H]2C[C@H]2C)[nH]c1C 657310274 409469516 /nfs/dbraw/zinc/46/95/16/409469516.db2.gz KTNQNGPPKGMILX-XCBNKYQSSA-N 0 3 193.294 1.772 20 0 ADADHN Cc1c[nH]c(CNC[C@H]2C[C@@H]2C)n1 657309600 409469519 /nfs/dbraw/zinc/46/95/19/409469519.db2.gz HFEUXPMOSAQTDY-IONNQARKSA-N 0 3 179.267 1.464 20 0 ADADHN Cc1c[nH]c(CNC[C@@H](C)C2CC2)n1 657328590 409469597 /nfs/dbraw/zinc/46/95/97/409469597.db2.gz AQCJFOARYYJQQB-MRVPVSSYSA-N 0 3 193.294 1.854 20 0 ADADHN C[C@H](NCCCCF)c1ccn(C)n1 657312214 409469603 /nfs/dbraw/zinc/46/96/03/409469603.db2.gz QSKYTXFCYOUHOS-VIFPVBQESA-N 0 3 199.273 1.820 20 0 ADADHN Cc1c[nH]c(CNCC2CCCC2)n1 657300059 409469652 /nfs/dbraw/zinc/46/96/52/409469652.db2.gz HCDBUNXRUSLGQJ-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN Cc1ncc(CN[C@H]2CC2(C)C)n1C 657327500 409469671 /nfs/dbraw/zinc/46/96/71/409469671.db2.gz XNWCTDGHBJXFHD-JTQLQIEISA-N 0 3 193.294 1.617 20 0 ADADHN C[C@@H](NCC1CCC1)c1ccn(C)n1 657319705 409469796 /nfs/dbraw/zinc/46/97/96/409469796.db2.gz SADHXMSGRPQRTB-SECBINFHSA-N 0 3 193.294 1.871 20 0 ADADHN Cc1c[nH]c(CNC[C@H]2C[C@H]2C)n1 657309603 409469843 /nfs/dbraw/zinc/46/98/43/409469843.db2.gz HFEUXPMOSAQTDY-VXNVDRBHSA-N 0 3 179.267 1.464 20 0 ADADHN Cc1nc(CNC[C@@H]2C[C@@H]2C)[nH]c1C 657310275 409469892 /nfs/dbraw/zinc/46/98/92/409469892.db2.gz KTNQNGPPKGMILX-XVKPBYJWSA-N 0 3 193.294 1.772 20 0 ADADHN C[C@H](NCC1CCC1)c1ccn(C)n1 657319706 409469913 /nfs/dbraw/zinc/46/99/13/409469913.db2.gz SADHXMSGRPQRTB-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN CCCCN[C@H](C)c1ccn(C)n1 657319707 409469927 /nfs/dbraw/zinc/46/99/27/409469927.db2.gz SIDJDZQQLMLCQL-SECBINFHSA-N 0 3 181.283 1.871 20 0 ADADHN C[C@H](NCCC1CC1)c1ccn(C)n1 657312228 409470035 /nfs/dbraw/zinc/47/00/35/409470035.db2.gz WLOONITXENUBRI-VIFPVBQESA-N 0 3 193.294 1.871 20 0 ADADHN CC[C@@H](C)N[C@@H](C)c1ccn(C)n1 657312189 409470089 /nfs/dbraw/zinc/47/00/89/409470089.db2.gz KOENVEOLXQTLGW-BDAKNGLRSA-N 0 3 181.283 1.869 20 0 ADADHN CC[C@H](C)N[C@H](C)c1ccn(C)n1 657312191 409470153 /nfs/dbraw/zinc/47/01/53/409470153.db2.gz KOENVEOLXQTLGW-DTWKUNHWSA-N 0 3 181.283 1.869 20 0 ADADHN Cc1c[nH]c(CNCC(C)(C)C)n1 657328532 409470163 /nfs/dbraw/zinc/47/01/63/409470163.db2.gz YQWQBROKDFADKS-UHFFFAOYSA-N 0 3 181.283 1.854 20 0 ADADHN COCCCCNCc1nc(C)c[nH]1 657314332 409470213 /nfs/dbraw/zinc/47/02/13/409470213.db2.gz ZUVKKJVIJKMQIF-UHFFFAOYSA-N 0 3 197.282 1.234 20 0 ADADHN C[C@@H](NCCCCF)c1ccn(C)n1 657312212 409470221 /nfs/dbraw/zinc/47/02/21/409470221.db2.gz QSKYTXFCYOUHOS-SECBINFHSA-N 0 3 199.273 1.820 20 0 ADADHN CC[C@H](C)N[C@@H](C)c1ccn(C)n1 657312192 409470256 /nfs/dbraw/zinc/47/02/56/409470256.db2.gz KOENVEOLXQTLGW-IUCAKERBSA-N 0 3 181.283 1.869 20 0 ADADHN COC[C@@H](C)CNCc1nc(C)c[nH]1 657331612 409471250 /nfs/dbraw/zinc/47/12/50/409471250.db2.gz IYLXEUYPHITSIE-QMMMGPOBSA-N 0 3 197.282 1.090 20 0 ADADHN Cc1cccc(CN(C)[C@H](C)CO)n1 124673197 409471365 /nfs/dbraw/zinc/47/13/65/409471365.db2.gz FXLMFPAINLJOPH-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN Cc1c[nH]c(CNC[C@@H]2CC2(C)C)n1 657359222 409471381 /nfs/dbraw/zinc/47/13/81/409471381.db2.gz JQRDXCJOXRLUQP-VIFPVBQESA-N 0 3 193.294 1.854 20 0 ADADHN Cc1c[nH]c(CNC[C@H]2CC2(C)C)n1 657359221 409471439 /nfs/dbraw/zinc/47/14/39/409471439.db2.gz JQRDXCJOXRLUQP-SECBINFHSA-N 0 3 193.294 1.854 20 0 ADADHN COCC[C@H](C)NCc1nc(C)c[nH]1 657342255 409471552 /nfs/dbraw/zinc/47/15/52/409471552.db2.gz WJAOXRFOYWZJCS-QMMMGPOBSA-N 0 3 197.282 1.233 20 0 ADADHN Cc1c[nH]c(CN[C@@H]2CCC[C@H]2C)n1 657350394 409471707 /nfs/dbraw/zinc/47/17/07/409471707.db2.gz CTLPYNTXMMADDJ-PSASIEDQSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1c[nH]c(CN[C@@H]2CCC[C@@H]2C)n1 657350396 409471799 /nfs/dbraw/zinc/47/17/99/409471799.db2.gz CTLPYNTXMMADDJ-WCBMZHEXSA-N 0 3 193.294 1.996 20 0 ADADHN CC[C@@H]1OCC[C@H]1NCCF 657361147 409471808 /nfs/dbraw/zinc/47/18/08/409471808.db2.gz RLZLYRLJNFOGFS-SFYZADRCSA-N 0 3 161.220 1.113 20 0 ADADHN Cc1c[nH]c(CN[C@H]2CCC[C@@H]2C)n1 657350397 409471843 /nfs/dbraw/zinc/47/18/43/409471843.db2.gz CTLPYNTXMMADDJ-WPRPVWTQSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1nc(CNCC2CCC2)[nH]c1C 657331868 409471883 /nfs/dbraw/zinc/47/18/83/409471883.db2.gz SECMUUJTZZLJPL-UHFFFAOYSA-N 0 3 193.294 1.916 20 0 ADADHN Cc1c[nH]c(CNCC2CCC2)n1 657331719 409471893 /nfs/dbraw/zinc/47/18/93/409471893.db2.gz MSUAOJCBOAXNOW-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN CO[C@H](C)CCNCc1nc(C)c[nH]1 657342543 409471922 /nfs/dbraw/zinc/47/19/22/409471922.db2.gz NYEVHFVPULRZLP-SECBINFHSA-N 0 3 197.282 1.233 20 0 ADADHN CCC(C)(C)NCc1nc(C)c[nH]1 657339627 409471955 /nfs/dbraw/zinc/47/19/55/409471955.db2.gz WSUJEQFBSLCGAO-UHFFFAOYSA-N 0 3 181.283 1.996 20 0 ADADHN COC[C@H](C)CNCc1nc(C)c[nH]1 657331611 409471977 /nfs/dbraw/zinc/47/19/77/409471977.db2.gz IYLXEUYPHITSIE-MRVPVSSYSA-N 0 3 197.282 1.090 20 0 ADADHN CO[C@@H](C)CCNCc1nc(C)c[nH]1 657342544 409472078 /nfs/dbraw/zinc/47/20/78/409472078.db2.gz NYEVHFVPULRZLP-VIFPVBQESA-N 0 3 197.282 1.233 20 0 ADADHN COCC[C@@H](C)NCc1nc(C)c[nH]1 657342254 409472119 /nfs/dbraw/zinc/47/21/19/409472119.db2.gz WJAOXRFOYWZJCS-MRVPVSSYSA-N 0 3 197.282 1.233 20 0 ADADHN Cc1c[nH]c(CN[C@H]2CCC[C@H]2C)n1 657350395 409472211 /nfs/dbraw/zinc/47/22/11/409472211.db2.gz CTLPYNTXMMADDJ-SCZZXKLOSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1nc(CNCC2(C)CC2)[nH]c1C 657386504 409473441 /nfs/dbraw/zinc/47/34/41/409473441.db2.gz CVHOJAGAUZLUCJ-UHFFFAOYSA-N 0 3 193.294 1.916 20 0 ADADHN Cc1c[nH]c(CN[C@H]2CC=CCC2)n1 657367527 409473511 /nfs/dbraw/zinc/47/35/11/409473511.db2.gz PMRLYBMYPZZPNQ-JTQLQIEISA-N 0 3 191.278 1.916 20 0 ADADHN Cc1nc(CNCCC2CC2)[nH]c1C 657378833 409473523 /nfs/dbraw/zinc/47/35/23/409473523.db2.gz MKJIWQNSDLEBBR-UHFFFAOYSA-N 0 3 193.294 1.916 20 0 ADADHN Cc1c[nH]c(CNC(C)(C)C2CC2)n1 657376879 409473530 /nfs/dbraw/zinc/47/35/30/409473530.db2.gz VURJYRYCFFZYFL-UHFFFAOYSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1ncc(CNC2CC(C)C2)n1C 657382205 409473550 /nfs/dbraw/zinc/47/35/50/409473550.db2.gz BSNXULCVYQTMPF-UHFFFAOYSA-N 0 3 193.294 1.617 20 0 ADADHN Cc1c[nH]c(CNCCC2CC2)n1 657378128 409473582 /nfs/dbraw/zinc/47/35/82/409473582.db2.gz GXMNCHCTAIVDID-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN Cc1nc(CNC2CC(C)C2)[nH]c1C 657382894 409473593 /nfs/dbraw/zinc/47/35/93/409473593.db2.gz FURLTTSTSDWZMD-UHFFFAOYSA-N 0 3 193.294 1.915 20 0 ADADHN Cc1c[nH]c(CNC2CC=CC2)n1 657396275 409473691 /nfs/dbraw/zinc/47/36/91/409473691.db2.gz QETWNRLQPHKNEH-UHFFFAOYSA-N 0 3 177.251 1.526 20 0 ADADHN Cc1c[nH]c(CNC2CC(C)C2)n1 657382826 409473715 /nfs/dbraw/zinc/47/37/15/409473715.db2.gz FBSGGQGRGYZFJB-UHFFFAOYSA-N 0 3 179.267 1.606 20 0 ADADHN Cc1c[nH]c(CN[C@@H]2CC=CCC2)n1 657367529 409474415 /nfs/dbraw/zinc/47/44/15/409474415.db2.gz PMRLYBMYPZZPNQ-SNVBAGLBSA-N 0 3 191.278 1.916 20 0 ADADHN Cc1c[nH]c(CNCCCC2CC2)n1 657363925 409474432 /nfs/dbraw/zinc/47/44/32/409474432.db2.gz DMQPQHYCHCKTTN-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN Cc1c[nH]c(CNCC2(C)CC2)n1 657387631 409474439 /nfs/dbraw/zinc/47/44/39/409474439.db2.gz RQRAWFOAUWJPBA-UHFFFAOYSA-N 0 3 179.267 1.608 20 0 ADADHN Cc1nc(CNC2CC=CC2)[nH]c1C 657395241 409474587 /nfs/dbraw/zinc/47/45/87/409474587.db2.gz BFYMSARNVCVMKW-UHFFFAOYSA-N 0 3 191.278 1.835 20 0 ADADHN Cc1ncc(CNC2CC=CC2)n1C 657396342 409474628 /nfs/dbraw/zinc/47/46/28/409474628.db2.gz RCPODHIKFXNOON-UHFFFAOYSA-N 0 3 191.278 1.537 20 0 ADADHN CCC1(CNCc2nc(C)c[nH]2)CC1 657388665 409474639 /nfs/dbraw/zinc/47/46/39/409474639.db2.gz NJTYHUISRXWVHW-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN Cc1c[nH]c(CNC2(C3CC3)CC2)n1 657397947 409474661 /nfs/dbraw/zinc/47/46/61/409474661.db2.gz GEKHFQZTERNOFY-UHFFFAOYSA-N 0 3 191.278 1.750 20 0 ADADHN CC(=O)CN1C[C@H]2CCC[C@H]2C1 126386201 409476036 /nfs/dbraw/zinc/47/60/36/409476036.db2.gz APWFOIIBCPMQMY-AOOOYVTPSA-N 0 3 167.252 1.307 20 0 ADADHN CO[C@@H]1COC[C@@H]1N[C@H]1C=CCCC1 657407843 409475692 /nfs/dbraw/zinc/47/56/92/409475692.db2.gz PAMFYXGBOVWOLD-GARJFASQSA-N 0 3 197.278 1.099 20 0 ADADHN Cc1ncc(CNC2(C)CCC2)n1C 657416289 409475328 /nfs/dbraw/zinc/47/53/28/409475328.db2.gz MVHWNMZFPGRLPX-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN Cc1nc(CNCCCF)[nH]c1C 657401889 409475451 /nfs/dbraw/zinc/47/54/51/409475451.db2.gz YYHFWXWCSBKMMU-UHFFFAOYSA-N 0 3 185.246 1.476 20 0 ADADHN Cc1c[nH]c(CN[C@@H](C)C2CCC2)n1 657416824 409475517 /nfs/dbraw/zinc/47/55/17/409475517.db2.gz HAMYALVQGZNMAD-VIFPVBQESA-N 0 3 193.294 1.996 20 0 ADADHN CC(=O)CN1C[C@H]2CCC[C@@H]2C1 126386428 409475564 /nfs/dbraw/zinc/47/55/64/409475564.db2.gz APWFOIIBCPMQMY-NXEZZACHSA-N 0 3 167.252 1.307 20 0 ADADHN Cc1c[nH]c(CNCCC2(C)CC2)n1 657452208 409475589 /nfs/dbraw/zinc/47/55/89/409475589.db2.gz ASCAXPDYCOJPQX-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN CCCC(C)(C)NC(=O)[C@H](N)CC 126195667 409475743 /nfs/dbraw/zinc/47/57/43/409475743.db2.gz XALPDOYYNKHUOA-MRVPVSSYSA-N 0 3 186.299 1.419 20 0 ADADHN Cc1c[nH]c(CNC2(C)CCC2)n1 657415182 409475748 /nfs/dbraw/zinc/47/57/48/409475748.db2.gz AVOSFIOOVNAPJY-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN Cc1ncc(CNCCCF)n1C 657401882 409475783 /nfs/dbraw/zinc/47/57/83/409475783.db2.gz YVIDQSDLIALBHT-UHFFFAOYSA-N 0 3 185.246 1.178 20 0 ADADHN Cc1c[nH]c(CN[C@H](C)C2CCC2)n1 657416823 409476184 /nfs/dbraw/zinc/47/61/84/409476184.db2.gz HAMYALVQGZNMAD-SECBINFHSA-N 0 3 193.294 1.996 20 0 ADADHN FCCCNCc1cnc2n1CCC2 657399326 409476375 /nfs/dbraw/zinc/47/63/75/409476375.db2.gz HPFNPWNRFSPKBP-UHFFFAOYSA-N 0 3 197.257 1.279 20 0 ADADHN CC(C)=CCNCc1cnc(C)n1C 657448481 409476428 /nfs/dbraw/zinc/47/64/28/409476428.db2.gz QHZFEZUXDZYWHS-UHFFFAOYSA-N 0 3 193.294 1.784 20 0 ADADHN CC(=O)CN1C[C@@H]2CCC[C@H]2C1 126386621 409476451 /nfs/dbraw/zinc/47/64/51/409476451.db2.gz APWFOIIBCPMQMY-UWVGGRQHSA-N 0 3 167.252 1.307 20 0 ADADHN CO[C@@H]1COC[C@@H]1N[C@@H]1C=CCCC1 657407844 409476519 /nfs/dbraw/zinc/47/65/19/409476519.db2.gz PAMFYXGBOVWOLD-OUAUKWLOSA-N 0 3 197.278 1.099 20 0 ADADHN CC/C=C\CNCc1cnc(C)n1C 657478733 409476898 /nfs/dbraw/zinc/47/68/98/409476898.db2.gz DRZZXXSIUSOXQQ-WAYWQWQTSA-N 0 3 193.294 1.784 20 0 ADADHN CC[C@@H]1C[C@H](N[C@H](C)CF)CO1 657466877 409476945 /nfs/dbraw/zinc/47/69/45/409476945.db2.gz RKELQQHEXLBBEL-HRDYMLBCSA-N 0 3 175.247 1.502 20 0 ADADHN CCC1(NCc2nc(C)c[nH]2)CC1 657478379 409477062 /nfs/dbraw/zinc/47/70/62/409477062.db2.gz INQGSPCXPJTELV-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN CCC[C@](C)(N)C(=O)N(C)C1CCC1 127379863 409477433 /nfs/dbraw/zinc/47/74/33/409477433.db2.gz UAEYXBUGGXQHCG-NSHDSACASA-N 0 3 198.310 1.515 20 0 ADADHN CC/C=C/CNCc1cnc(C)n1C 657478732 409477545 /nfs/dbraw/zinc/47/75/45/409477545.db2.gz DRZZXXSIUSOXQQ-AATRIKPKSA-N 0 3 193.294 1.784 20 0 ADADHN Cc1c[nH]c(CNC2(C(C)C)CC2)n1 657474236 409477904 /nfs/dbraw/zinc/47/79/04/409477904.db2.gz CPQTXTRPHGQJOI-UHFFFAOYSA-N 0 3 193.294 1.996 20 0 ADADHN CCC(CC)CN1CC(C)(O)C1 128356545 409478003 /nfs/dbraw/zinc/47/80/03/409478003.db2.gz QDJARLCWJTVHDG-UHFFFAOYSA-N 0 3 171.284 1.489 20 0 ADADHN CC[C@@H]1C[C@@H](N[C@@H](C)CF)CO1 657466876 409478006 /nfs/dbraw/zinc/47/80/06/409478006.db2.gz RKELQQHEXLBBEL-DJLDLDEBSA-N 0 3 175.247 1.502 20 0 ADADHN CC[C@@H]1C[C@@H](N[C@H](C)CF)CO1 657466879 409478033 /nfs/dbraw/zinc/47/80/33/409478033.db2.gz RKELQQHEXLBBEL-IWSPIJDZSA-N 0 3 175.247 1.502 20 0 ADADHN CC[C@@H]1C[C@H]1CNCc1nc(C)c[nH]1 657481407 409478234 /nfs/dbraw/zinc/47/82/34/409478234.db2.gz OYLVMURBGOFVRF-ZJUUUORDSA-N 0 3 193.294 1.854 20 0 ADADHN CC[C@@H]1C[C@H](N[C@@H](C)CF)CO1 657466880 409478361 /nfs/dbraw/zinc/47/83/61/409478361.db2.gz RKELQQHEXLBBEL-XHNCKOQMSA-N 0 3 175.247 1.502 20 0 ADADHN CCC1(NCc2cnc(C)n2C)CC1 657478673 409478394 /nfs/dbraw/zinc/47/83/94/409478394.db2.gz MBPDZWYFMVBJCZ-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN Cn1cc(CN[C@]23CCC[C@H]2C3)cn1 657550324 409478873 /nfs/dbraw/zinc/47/88/73/409478873.db2.gz ICJPWHRQHTVWRW-QWRGUYRKSA-N 0 3 191.278 1.452 20 0 ADADHN c1cc(CN[C@@]23CCC[C@@H]2C3)n[nH]1 657550131 409478942 /nfs/dbraw/zinc/47/89/42/409478942.db2.gz GWGUBOAVYBHJMJ-PSASIEDQSA-N 0 3 177.251 1.442 20 0 ADADHN CCC[C@@](C)(N)C(=O)N(C)C1CCC1 127380063 409478950 /nfs/dbraw/zinc/47/89/50/409478950.db2.gz UAEYXBUGGXQHCG-LLVKDONJSA-N 0 3 198.310 1.515 20 0 ADADHN Cn1cncc1CN[C@]12CCC[C@H]1C2 657549640 409479141 /nfs/dbraw/zinc/47/91/41/409479141.db2.gz FCZNYIGYSDFYQT-ONGXEEELSA-N 0 3 191.278 1.452 20 0 ADADHN Cn1ccnc1CN[C@@]12CCC[C@@H]1C2 657550072 409479174 /nfs/dbraw/zinc/47/91/74/409479174.db2.gz GRHIRVOEROQPIQ-MWLCHTKSSA-N 0 3 191.278 1.452 20 0 ADADHN Cn1cc(CN[C@@]23CCC[C@@H]2C3)cn1 657550322 409479257 /nfs/dbraw/zinc/47/92/57/409479257.db2.gz ICJPWHRQHTVWRW-GHMZBOCLSA-N 0 3 191.278 1.452 20 0 ADADHN Cc1c[nH]c(CNC2(C)CC=CC2)n1 657505952 409479312 /nfs/dbraw/zinc/47/93/12/409479312.db2.gz XLTSUXUSYRNDQL-UHFFFAOYSA-N 0 3 191.278 1.916 20 0 ADADHN c1cc(CN[C@]23CCC[C@H]2C3)n[nH]1 657550138 409479418 /nfs/dbraw/zinc/47/94/18/409479418.db2.gz GWGUBOAVYBHJMJ-WPRPVWTQSA-N 0 3 177.251 1.442 20 0 ADADHN CO[C@H](C)CNCc1ccncc1C 129761611 409479578 /nfs/dbraw/zinc/47/95/78/409479578.db2.gz WCVLYOHZGMTNBX-SNVBAGLBSA-N 0 3 194.278 1.515 20 0 ADADHN Cc1cnccc1CNCC[C@@H](C)O 129772533 409479672 /nfs/dbraw/zinc/47/96/72/409479672.db2.gz BCXAMADOFRGRGR-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN Cn1ccnc1CN[C@]12CCC[C@H]1C2 657550074 409479816 /nfs/dbraw/zinc/47/98/16/409479816.db2.gz GRHIRVOEROQPIQ-ONGXEEELSA-N 0 3 191.278 1.452 20 0 ADADHN C[C@@H](N[C@H]1CCC[C@@H]1O)c1ccoc1 129911058 409480054 /nfs/dbraw/zinc/48/00/54/409480054.db2.gz LZULDDJIAFNXGW-MIMYLULJSA-N 0 3 195.262 1.844 20 0 ADADHN Cn1cncc1CN[C@@]12CCC[C@@H]1C2 657549639 409480138 /nfs/dbraw/zinc/48/01/38/409480138.db2.gz FCZNYIGYSDFYQT-MWLCHTKSSA-N 0 3 191.278 1.452 20 0 ADADHN CC[C@H](C)[C@H](C)NCc1nnc(C)[nH]1 129829743 409480233 /nfs/dbraw/zinc/48/02/33/409480233.db2.gz OOIAOWKFOAHGIO-YUMQZZPRSA-N 0 3 196.298 1.637 20 0 ADADHN CO[C@@H](C)CNCc1ccncc1C 129761798 409480329 /nfs/dbraw/zinc/48/03/29/409480329.db2.gz WCVLYOHZGMTNBX-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN Cn1ccc(CN[C@@]23CCC[C@@H]2C3)n1 657553719 409480801 /nfs/dbraw/zinc/48/08/01/409480801.db2.gz WZTUUGIFPXCZQE-MWLCHTKSSA-N 0 3 191.278 1.452 20 0 ADADHN COCCNCc1ccncc1C 129775444 409480592 /nfs/dbraw/zinc/48/05/92/409480592.db2.gz ROWYHVOXWZMJEM-UHFFFAOYSA-N 0 3 180.251 1.126 20 0 ADADHN Cc1c[nH]c(CN[C@]23CCC[C@H]2C3)n1 657551558 409480814 /nfs/dbraw/zinc/48/08/14/409480814.db2.gz JICKLHQJRICHQG-ONGXEEELSA-N 0 3 191.278 1.750 20 0 ADADHN c1c[nH]c(CN[C@]23CCC[C@H]2C3)n1 657551546 409480845 /nfs/dbraw/zinc/48/08/45/409480845.db2.gz OXCQIFCVGFCFPG-WPRPVWTQSA-N 0 3 177.251 1.442 20 0 ADADHN Cn1nccc1CN[C@]12CCC[C@H]1C2 657553135 409480854 /nfs/dbraw/zinc/48/08/54/409480854.db2.gz UUOGAHZLFBSBSP-ONGXEEELSA-N 0 3 191.278 1.452 20 0 ADADHN Cc1cnccc1CNCC[C@H](C)O 129772710 409481002 /nfs/dbraw/zinc/48/10/02/409481002.db2.gz BCXAMADOFRGRGR-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN Cc1c[nH]c(CN[C@@]23CCC[C@@H]2C3)n1 657551557 409481175 /nfs/dbraw/zinc/48/11/75/409481175.db2.gz JICKLHQJRICHQG-MWLCHTKSSA-N 0 3 191.278 1.750 20 0 ADADHN Cn1nccc1CN[C@@]12CCC[C@@H]1C2 657553133 409481192 /nfs/dbraw/zinc/48/11/92/409481192.db2.gz UUOGAHZLFBSBSP-MWLCHTKSSA-N 0 3 191.278 1.452 20 0 ADADHN c1n[nH]cc1CN[C@@]12CCC[C@@H]1C2 657551726 409481315 /nfs/dbraw/zinc/48/13/15/409481315.db2.gz PTIRBGXXDLIBTC-NXEZZACHSA-N 0 3 177.251 1.442 20 0 ADADHN CC[C@@H](C)[C@@H](C)NCc1nnc(C)[nH]1 129829101 409481360 /nfs/dbraw/zinc/48/13/60/409481360.db2.gz OOIAOWKFOAHGIO-HTQZYQBOSA-N 0 3 196.298 1.637 20 0 ADADHN c1c[nH]c(CN[C@@]23CCC[C@@H]2C3)n1 657551543 409481416 /nfs/dbraw/zinc/48/14/16/409481416.db2.gz OXCQIFCVGFCFPG-PSASIEDQSA-N 0 3 177.251 1.442 20 0 ADADHN CC[C@H](C)[C@@H](C)NCc1nnc(C)[nH]1 129829333 409481432 /nfs/dbraw/zinc/48/14/32/409481432.db2.gz OOIAOWKFOAHGIO-JGVFFNPUSA-N 0 3 196.298 1.637 20 0 ADADHN Cc1n[nH]cc1CN[C@@]12CCC[C@@H]1C2 657552743 409481488 /nfs/dbraw/zinc/48/14/88/409481488.db2.gz TWJJNKVNEWFKPE-GHMZBOCLSA-N 0 3 191.278 1.750 20 0 ADADHN Cc1c[nH]nc1CN[C@@]12CCC[C@@H]1C2 657550895 409481566 /nfs/dbraw/zinc/48/15/66/409481566.db2.gz FQSNAKYHMKDDQA-MWLCHTKSSA-N 0 3 191.278 1.750 20 0 ADADHN Cc1n[nH]cc1CN[C@]12CCC[C@H]1C2 657552745 409481593 /nfs/dbraw/zinc/48/15/93/409481593.db2.gz TWJJNKVNEWFKPE-QWRGUYRKSA-N 0 3 191.278 1.750 20 0 ADADHN CC[C@@H](C)[C@H](C)NCc1nnc(C)[nH]1 129829565 409481641 /nfs/dbraw/zinc/48/16/41/409481641.db2.gz OOIAOWKFOAHGIO-SFYZADRCSA-N 0 3 196.298 1.637 20 0 ADADHN Cc1cnccc1CNCC(C)(C)O 129769076 409481651 /nfs/dbraw/zinc/48/16/51/409481651.db2.gz JAXAMOPZJPLGFE-UHFFFAOYSA-N 0 3 194.278 1.251 20 0 ADADHN c1n[nH]cc1CN[C@]12CCC[C@H]1C2 657551727 409481658 /nfs/dbraw/zinc/48/16/58/409481658.db2.gz PTIRBGXXDLIBTC-UWVGGRQHSA-N 0 3 177.251 1.442 20 0 ADADHN C[C@@H](NCc1cnnn1C)C(C)(C)C 129759728 409481702 /nfs/dbraw/zinc/48/17/02/409481702.db2.gz DQOSZFQMYBCTAQ-MRVPVSSYSA-N 0 3 196.298 1.339 20 0 ADADHN Cn1ccc(CN[C@]23CCC[C@H]2C3)n1 657553720 409481764 /nfs/dbraw/zinc/48/17/64/409481764.db2.gz WZTUUGIFPXCZQE-ONGXEEELSA-N 0 3 191.278 1.452 20 0 ADADHN Cc1c[nH]nc1CN[C@]12CCC[C@H]1C2 657550896 409481808 /nfs/dbraw/zinc/48/18/08/409481808.db2.gz FQSNAKYHMKDDQA-ONGXEEELSA-N 0 3 191.278 1.750 20 0 ADADHN OC/C=C/CNCc1cccc(F)c1 657591646 409482235 /nfs/dbraw/zinc/48/22/35/409482235.db2.gz KDCATWZLBATNHD-OWOJBTEDSA-N 0 3 195.237 1.464 20 0 ADADHN Cc1ncccc1CNC/C=C/CO 657592659 409482360 /nfs/dbraw/zinc/48/23/60/409482360.db2.gz MFLDQPWYEVZGKL-NSCUHMNNSA-N 0 3 192.262 1.028 20 0 ADADHN OC/C=C\CNCc1cccc(F)c1 657591647 409482502 /nfs/dbraw/zinc/48/25/02/409482502.db2.gz KDCATWZLBATNHD-UPHRSURJSA-N 0 3 195.237 1.464 20 0 ADADHN Cc1sccc1CNC/C=C/CO 657592733 409482513 /nfs/dbraw/zinc/48/25/13/409482513.db2.gz AVZMBHJMIXBGFF-NSCUHMNNSA-N 0 3 197.303 1.695 20 0 ADADHN OC/C=C\CNCc1ccc(F)cc1 657591117 409482534 /nfs/dbraw/zinc/48/25/34/409482534.db2.gz CPBLGEVYNZGEQJ-UPHRSURJSA-N 0 3 195.237 1.464 20 0 ADADHN Cc1ccccc1CNC/C=C\CO 657593176 409482543 /nfs/dbraw/zinc/48/25/43/409482543.db2.gz YYKZSZWYTRPQRO-PLNGDYQASA-N 0 3 191.274 1.633 20 0 ADADHN OC/C=C/CNCc1cccc(O)c1 657591722 409482629 /nfs/dbraw/zinc/48/26/29/409482629.db2.gz LKQWSNQNNKRVSZ-OWOJBTEDSA-N 0 3 193.246 1.030 20 0 ADADHN OC/C=C\CNCc1cccs1 657591697 409482682 /nfs/dbraw/zinc/48/26/82/409482682.db2.gz KVWFOBUNXATXRF-UPHRSURJSA-N 0 3 183.276 1.386 20 0 ADADHN Cc1ncccc1CNC/C=C\CO 657592658 409482752 /nfs/dbraw/zinc/48/27/52/409482752.db2.gz MFLDQPWYEVZGKL-IHWYPQMZSA-N 0 3 192.262 1.028 20 0 ADADHN Cc1ccc(CNC/C=C\CO)cc1 657591411 409482780 /nfs/dbraw/zinc/48/27/80/409482780.db2.gz HHJROXIPSYFTGE-IHWYPQMZSA-N 0 3 191.274 1.633 20 0 ADADHN CCC(CC)CNC(=O)C1(N)CCC1 130367465 409482873 /nfs/dbraw/zinc/48/28/73/409482873.db2.gz GYGBFQVJMPUDEB-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CC(C)(C)CCNC(=O)C1(N)CCC1 130044922 409482912 /nfs/dbraw/zinc/48/29/12/409482912.db2.gz ZQBLBHXUOMPCNR-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN Cc1cccc(CNC/C=C/CO)c1 657592324 409482945 /nfs/dbraw/zinc/48/29/45/409482945.db2.gz SRPSBJCHLKSQRS-NSCUHMNNSA-N 0 3 191.274 1.633 20 0 ADADHN OC/C=C/CNCc1ccc(F)cc1 657591116 409482953 /nfs/dbraw/zinc/48/29/53/409482953.db2.gz CPBLGEVYNZGEQJ-OWOJBTEDSA-N 0 3 195.237 1.464 20 0 ADADHN CN[C@@H](C)C(=O)NCCC(C)(C)C 130040021 409482954 /nfs/dbraw/zinc/48/29/54/409482954.db2.gz DWDZPNMSYMSRLH-QMMMGPOBSA-N 0 3 186.299 1.147 20 0 ADADHN Cc1sccc1CNC/C=C\CO 657592732 409483034 /nfs/dbraw/zinc/48/30/34/409483034.db2.gz AVZMBHJMIXBGFF-IHWYPQMZSA-N 0 3 197.303 1.695 20 0 ADADHN OC/C=C/CNCc1cccs1 657591696 409483040 /nfs/dbraw/zinc/48/30/40/409483040.db2.gz KVWFOBUNXATXRF-OWOJBTEDSA-N 0 3 183.276 1.386 20 0 ADADHN OC/C=C\CNCc1cccc(O)c1 657591723 409483127 /nfs/dbraw/zinc/48/31/27/409483127.db2.gz LKQWSNQNNKRVSZ-UPHRSURJSA-N 0 3 193.246 1.030 20 0 ADADHN Cc1ccc(CNC/C=C/CO)cc1 657591412 409483150 /nfs/dbraw/zinc/48/31/50/409483150.db2.gz HHJROXIPSYFTGE-NSCUHMNNSA-N 0 3 191.274 1.633 20 0 ADADHN Cc1ccsc1CNC/C=C/CO 657592559 409483170 /nfs/dbraw/zinc/48/31/70/409483170.db2.gz WAQMDRYWEVARLJ-NSCUHMNNSA-N 0 3 197.303 1.695 20 0 ADADHN Cc1ccccc1CNC/C=C/CO 657593177 409483208 /nfs/dbraw/zinc/48/32/08/409483208.db2.gz YYKZSZWYTRPQRO-SNAWJCMRSA-N 0 3 191.274 1.633 20 0 ADADHN OC/C=C\CNCc1ccsc1 657592476 409483478 /nfs/dbraw/zinc/48/34/78/409483478.db2.gz KDDUUXTWSJCAEQ-UPHRSURJSA-N 0 3 183.276 1.386 20 0 ADADHN OC/C=C/CNCc1ccsc1 657592475 409483510 /nfs/dbraw/zinc/48/35/10/409483510.db2.gz KDDUUXTWSJCAEQ-OWOJBTEDSA-N 0 3 183.276 1.386 20 0 ADADHN Cc1cccc(CNC/C=C\CO)c1 657592323 409483564 /nfs/dbraw/zinc/48/35/64/409483564.db2.gz SRPSBJCHLKSQRS-IHWYPQMZSA-N 0 3 191.274 1.633 20 0 ADADHN Cc1ccsc1CNC/C=C\CO 657592558 409483641 /nfs/dbraw/zinc/48/36/41/409483641.db2.gz WAQMDRYWEVARLJ-IHWYPQMZSA-N 0 3 197.303 1.695 20 0 ADADHN Cc1ccncc1CNC/C=C\CO 657594990 409484391 /nfs/dbraw/zinc/48/43/91/409484391.db2.gz VUYUVPNAHOJHAY-IHWYPQMZSA-N 0 3 192.262 1.028 20 0 ADADHN Cc1ccc(CNC/C=C/CO)s1 657594063 409484438 /nfs/dbraw/zinc/48/44/38/409484438.db2.gz XUCWAPNDSRWYBG-NSCUHMNNSA-N 0 3 197.303 1.695 20 0 ADADHN Cc1ccncc1CNC/C=C/CO 657594992 409484451 /nfs/dbraw/zinc/48/44/51/409484451.db2.gz VUYUVPNAHOJHAY-NSCUHMNNSA-N 0 3 192.262 1.028 20 0 ADADHN CCC(CC)CNC(=O)[C@H](C)NC 130362497 409484519 /nfs/dbraw/zinc/48/45/19/409484519.db2.gz AEOLRKFYCNWAPU-QMMMGPOBSA-N 0 3 186.299 1.147 20 0 ADADHN Cc1ccc(CNC/C=C\CO)s1 657594061 409484595 /nfs/dbraw/zinc/48/45/95/409484595.db2.gz XUCWAPNDSRWYBG-IHWYPQMZSA-N 0 3 197.303 1.695 20 0 ADADHN Cc1cnccc1CNC/C=C/CO 657595073 409485057 /nfs/dbraw/zinc/48/50/57/409485057.db2.gz WXRJLTDHYLGJQV-NSCUHMNNSA-N 0 3 192.262 1.028 20 0 ADADHN Cc1cnccc1CNC/C=C\CO 657595072 409485077 /nfs/dbraw/zinc/48/50/77/409485077.db2.gz WXRJLTDHYLGJQV-IHWYPQMZSA-N 0 3 192.262 1.028 20 0 ADADHN C[C@@H](NCc1ccco1)C1(CO)CC1 657605165 409485113 /nfs/dbraw/zinc/48/51/13/409485113.db2.gz ZDQSXIKSVZDJCS-SECBINFHSA-N 0 3 195.262 1.530 20 0 ADADHN CCc1nocc1CNC[C@H](O)CC 657644144 409485971 /nfs/dbraw/zinc/48/59/71/409485971.db2.gz WJQCGOCQKVOTAR-SECBINFHSA-N 0 3 198.266 1.098 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@H](C)[C@@H](C)C1 131916343 409486024 /nfs/dbraw/zinc/48/60/24/409486024.db2.gz YNNYZARBVLJNAE-LPEHRKFASA-N 0 3 198.310 1.228 20 0 ADADHN C[C@H](O)CN[C@@H](C)c1cncc(F)c1 131715616 409486150 /nfs/dbraw/zinc/48/61/50/409486150.db2.gz VAGNVDOBEZXQCC-YUMQZZPRSA-N 0 3 198.241 1.252 20 0 ADADHN C[C@H](NCc1ccco1)C1(CO)CC1 657605166 409487151 /nfs/dbraw/zinc/48/71/51/409487151.db2.gz ZDQSXIKSVZDJCS-VIFPVBQESA-N 0 3 195.262 1.530 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@H](C)[C@H](C)C1 131915888 409487159 /nfs/dbraw/zinc/48/71/59/409487159.db2.gz YNNYZARBVLJNAE-IVZWLZJFSA-N 0 3 198.310 1.228 20 0 ADADHN CO[C@@H](C)CNCc1cncs1 131459308 409487204 /nfs/dbraw/zinc/48/72/04/409487204.db2.gz BJGQPDPZMPSRHK-ZETCQYMHSA-N 0 3 186.280 1.268 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H](C)C1 131916562 409487241 /nfs/dbraw/zinc/48/72/41/409487241.db2.gz YNNYZARBVLJNAE-KXUCPTDWSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@H](C)C1 131916113 409487255 /nfs/dbraw/zinc/48/72/55/409487255.db2.gz YNNYZARBVLJNAE-OPRDCNLKSA-N 0 3 198.310 1.228 20 0 ADADHN CO[C@H](C)CNCc1cncs1 131459487 409487491 /nfs/dbraw/zinc/48/74/91/409487491.db2.gz BJGQPDPZMPSRHK-SSDOTTSWSA-N 0 3 186.280 1.268 20 0 ADADHN C[C@H](NC[C@@H](C)O)c1cncc(F)c1 131811296 409487535 /nfs/dbraw/zinc/48/75/35/409487535.db2.gz VAGNVDOBEZXQCC-SFYZADRCSA-N 0 3 198.241 1.252 20 0 ADADHN Cn1ccc(CNCCC(C)(C)F)n1 657644357 409487816 /nfs/dbraw/zinc/48/78/16/409487816.db2.gz GJPCFDIZIMYLBL-UHFFFAOYSA-N 0 3 199.273 1.648 20 0 ADADHN CC(C)(F)CCNCc1ncc[nH]1 657644268 409487915 /nfs/dbraw/zinc/48/79/15/409487915.db2.gz CDAMZQIZGCYRIM-UHFFFAOYSA-N 0 3 185.246 1.638 20 0 ADADHN CC(C)(F)CCNCc1cc[nH]n1 657644897 409488036 /nfs/dbraw/zinc/48/80/36/409488036.db2.gz VZDXGIPOMLGYTB-UHFFFAOYSA-N 0 3 185.246 1.638 20 0 ADADHN Cn1cncc1CNCCC(C)(C)F 657644474 409488183 /nfs/dbraw/zinc/48/81/83/409488183.db2.gz LFMZAUQIRPKEDO-UHFFFAOYSA-N 0 3 199.273 1.648 20 0 ADADHN Cn1cc(CNCCC(C)(C)F)cn1 657644499 409488212 /nfs/dbraw/zinc/48/82/12/409488212.db2.gz MBZCQRAUBDHKAR-UHFFFAOYSA-N 0 3 199.273 1.648 20 0 ADADHN Cc1c[nH]c(CNCCC(C)(C)F)n1 657646042 409488328 /nfs/dbraw/zinc/48/83/28/409488328.db2.gz SGAIJAPOFODPII-UHFFFAOYSA-N 0 3 199.273 1.946 20 0 ADADHN Cn1nccc1CNCCC(C)(C)F 657644466 409488364 /nfs/dbraw/zinc/48/83/64/409488364.db2.gz KXXBONRFBWTLCS-UHFFFAOYSA-N 0 3 199.273 1.648 20 0 ADADHN C[C@H](CNCc1cnccn1)C1CC1 132516323 409488461 /nfs/dbraw/zinc/48/84/61/409488461.db2.gz OYWMVMQUPULRPV-SECBINFHSA-N 0 3 191.278 1.612 20 0 ADADHN Cc1n[nH]cc1CNCCC(C)(C)F 657644216 409488552 /nfs/dbraw/zinc/48/85/52/409488552.db2.gz AGFLKRGZIAUYEF-UHFFFAOYSA-N 0 3 199.273 1.946 20 0 ADADHN Cc1c[nH]nc1CNCCC(C)(C)F 657645082 409488603 /nfs/dbraw/zinc/48/86/03/409488603.db2.gz JNZRXLNBHVWSJI-UHFFFAOYSA-N 0 3 199.273 1.946 20 0 ADADHN C[C@@H](CNCc1cnccn1)C1CC1 132516132 409488912 /nfs/dbraw/zinc/48/89/12/409488912.db2.gz OYWMVMQUPULRPV-VIFPVBQESA-N 0 3 191.278 1.612 20 0 ADADHN CC[C@H](NCc1nc(C)c[nH]1)C1CC1 657680214 409489383 /nfs/dbraw/zinc/48/93/83/409489383.db2.gz HMIKBJGHUVGCER-JTQLQIEISA-N 0 3 193.294 1.996 20 0 ADADHN CC[C@@H](NCc1n[nH]cc1C)C1CC1 657680227 409489552 /nfs/dbraw/zinc/48/95/52/409489552.db2.gz HTMRZHQVGHSKMQ-SNVBAGLBSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1n[nH]c(C)c1CNC1CC=CC1 132541705 409489597 /nfs/dbraw/zinc/48/95/97/409489597.db2.gz SMNZOAOCHMSDOT-UHFFFAOYSA-N 0 3 191.278 1.835 20 0 ADADHN CC[C@H](NCc1n[nH]cc1C)C1CC1 657680226 409489611 /nfs/dbraw/zinc/48/96/11/409489611.db2.gz HTMRZHQVGHSKMQ-JTQLQIEISA-N 0 3 193.294 1.996 20 0 ADADHN CCc1cc(CC)n(CCN(C)C)n1 132636406 409489973 /nfs/dbraw/zinc/48/99/73/409489973.db2.gz AHQMYFGNUAOMGZ-UHFFFAOYSA-N 0 3 195.310 1.570 20 0 ADADHN CC[C@@H](NCc1nc(C)c[nH]1)C1CC1 657680215 409490297 /nfs/dbraw/zinc/49/02/97/409490297.db2.gz HMIKBJGHUVGCER-SNVBAGLBSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1n[nH]cc1CN[C@]1(C)CC1(C)C 657761392 409490937 /nfs/dbraw/zinc/49/09/37/409490937.db2.gz KAHAGNXXAKPOIB-LLVKDONJSA-N 0 3 193.294 1.996 20 0 ADADHN CC(C)[C@@H](N)C(=O)NC[C@@H](C)C1CC1 133003245 409491044 /nfs/dbraw/zinc/49/10/44/409491044.db2.gz ZSXAESLMNHPHSG-PSASIEDQSA-N 0 3 198.310 1.132 20 0 ADADHN Cc1n[nH]cc1CN[C@@]1(C)CC1(C)C 657761393 409491137 /nfs/dbraw/zinc/49/11/37/409491137.db2.gz KAHAGNXXAKPOIB-NSHDSACASA-N 0 3 193.294 1.996 20 0 ADADHN CC(C)NCC(=O)NC[C@@H](C)C1CC1 132980153 409491183 /nfs/dbraw/zinc/49/11/83/409491183.db2.gz IOGKSOPUTHBKGQ-SECBINFHSA-N 0 3 198.310 1.147 20 0 ADADHN C[C@@H](CNC(=O)C1(N)CCC1)C1CC1 132985160 409491302 /nfs/dbraw/zinc/49/13/02/409491302.db2.gz QKLLBLBOAYRGEF-QMMMGPOBSA-N 0 3 196.294 1.030 20 0 ADADHN Cc1c[nH]nc1CN[C@]1(C)CC1(C)C 657761112 409491695 /nfs/dbraw/zinc/49/16/95/409491695.db2.gz FZIDCZOIFYDOGM-LLVKDONJSA-N 0 3 193.294 1.996 20 0 ADADHN C[C@@H](NCc1nncn1C)C(C)(C)C 132901093 409491908 /nfs/dbraw/zinc/49/19/08/409491908.db2.gz WJGBENJIERKURG-MRVPVSSYSA-N 0 3 196.298 1.339 20 0 ADADHN Cc1c[nH]nc1CN[C@@]1(C)CC1(C)C 657761113 409491974 /nfs/dbraw/zinc/49/19/74/409491974.db2.gz FZIDCZOIFYDOGM-NSHDSACASA-N 0 3 193.294 1.996 20 0 ADADHN Cc1n[nH]cc1CNCC1=CCCC1 657749020 409492038 /nfs/dbraw/zinc/49/20/38/409492038.db2.gz QJUCLMNKAHPZBA-UHFFFAOYSA-N 0 3 191.278 1.918 20 0 ADADHN CC(C)NCC(=O)NC[C@H](C)C1CC1 132980389 409492136 /nfs/dbraw/zinc/49/21/36/409492136.db2.gz IOGKSOPUTHBKGQ-VIFPVBQESA-N 0 3 198.310 1.147 20 0 ADADHN C[C@H](CNC(=O)C1(N)CCC1)C1CC1 132985328 409492479 /nfs/dbraw/zinc/49/24/79/409492479.db2.gz QKLLBLBOAYRGEF-MRVPVSSYSA-N 0 3 196.294 1.030 20 0 ADADHN Cn1nncc1CN[C@]1(C)CC1(C)C 657762270 409492840 /nfs/dbraw/zinc/49/28/40/409492840.db2.gz ZGBHNKFHPSHEMZ-SNVBAGLBSA-N 0 3 194.282 1.093 20 0 ADADHN Cn1cncc1CN[C@]1(C)CC1(C)C 657761633 409492870 /nfs/dbraw/zinc/49/28/70/409492870.db2.gz PTNPBXRDDJNKJE-LLVKDONJSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1nccc1CN[C@@]1(C)CC1(C)C 657761689 409492997 /nfs/dbraw/zinc/49/29/97/409492997.db2.gz QZRRKZGZABJADI-NSHDSACASA-N 0 3 193.294 1.698 20 0 ADADHN Cn1nccc1CN[C@]1(C)CC1(C)C 657761687 409493088 /nfs/dbraw/zinc/49/30/88/409493088.db2.gz QZRRKZGZABJADI-LLVKDONJSA-N 0 3 193.294 1.698 20 0 ADADHN Cn1nncc1CN[C@@]1(C)CC1(C)C 657762269 409493176 /nfs/dbraw/zinc/49/31/76/409493176.db2.gz ZGBHNKFHPSHEMZ-JTQLQIEISA-N 0 3 194.282 1.093 20 0 ADADHN CO[C@@]1(C)C[C@H]1NCc1ccn(C)c1 657787891 409493274 /nfs/dbraw/zinc/49/32/74/409493274.db2.gz BUMCJMFNXGXUDA-MNOVXSKESA-N 0 3 194.278 1.292 20 0 ADADHN CO[C@@]1(C)C[C@H]1NCC1=CCCOC1 657788449 409493440 /nfs/dbraw/zinc/49/34/40/409493440.db2.gz QHZMMGPLSRELJO-MNOVXSKESA-N 0 3 197.278 1.100 20 0 ADADHN CO[C@@]1(C)C[C@H]1NCc1cccnc1 657788005 409493457 /nfs/dbraw/zinc/49/34/57/409493457.db2.gz FYMNPYQEUAMXPD-MNOVXSKESA-N 0 3 192.262 1.349 20 0 ADADHN Cn1cc(CN[C@]2(C)CC2(C)C)cn1 657761554 409493640 /nfs/dbraw/zinc/49/36/40/409493640.db2.gz NONDXFRRGVJUHI-LLVKDONJSA-N 0 3 193.294 1.698 20 0 ADADHN CO[C@@]1(C)C[C@H]1NCc1cccn1C 657788231 409493960 /nfs/dbraw/zinc/49/39/60/409493960.db2.gz LNPCRLBIBDPSGK-MNOVXSKESA-N 0 3 194.278 1.292 20 0 ADADHN Cn1cncc1CN[C@@]1(C)CC1(C)C 657761634 409493973 /nfs/dbraw/zinc/49/39/73/409493973.db2.gz PTNPBXRDDJNKJE-NSHDSACASA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cc(CN[C@@]2(C)CC2(C)C)cn1 657761555 409494114 /nfs/dbraw/zinc/49/41/14/409494114.db2.gz NONDXFRRGVJUHI-NSHDSACASA-N 0 3 193.294 1.698 20 0 ADADHN CO[C@@]1(C)C[C@H]1NCc1ccccc1 657789739 409494270 /nfs/dbraw/zinc/49/42/70/409494270.db2.gz RXCJOWGGAPZBLW-NEPJUHHUSA-N 0 3 191.274 1.954 20 0 ADADHN CO[C@@]1(C)C[C@H]1NCc1ccncc1 657789313 409494365 /nfs/dbraw/zinc/49/43/65/409494365.db2.gz OJPMKAUKEXJVFO-MNOVXSKESA-N 0 3 192.262 1.349 20 0 ADADHN O[C@H]1C[C@H](NCc2ccccc2)C1 657806307 409495261 /nfs/dbraw/zinc/49/52/61/409495261.db2.gz KPEYOJIYFRKEBN-XYPYZODXSA-N 0 3 177.247 1.300 20 0 ADADHN Cc1sccc1CN[C@H]1C[C@H](O)C1 657808094 409495510 /nfs/dbraw/zinc/49/55/10/409495510.db2.gz AVZFBTYARRFKRQ-MGCOHNPYSA-N 0 3 197.303 1.669 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@H](O)C2)cc1 657805801 409495569 /nfs/dbraw/zinc/49/55/69/409495569.db2.gz CEYPUBMSCJFELZ-HAQNSBGRSA-N 0 3 191.274 1.608 20 0 ADADHN Cc1ccccc1CN[C@H]1C[C@H](O)C1 657806868 409495602 /nfs/dbraw/zinc/49/56/02/409495602.db2.gz WNKKKSGMYKOCHS-HAQNSBGRSA-N 0 3 191.274 1.608 20 0 ADADHN O[C@H]1C[C@H](NCc2ccc(F)cc2)C1 657806997 409495834 /nfs/dbraw/zinc/49/58/34/409495834.db2.gz XVTQUZRINPHHTE-XYPYZODXSA-N 0 3 195.237 1.439 20 0 ADADHN Oc1cccc(CN[C@H]2C[C@H](O)C2)c1 657806994 409495870 /nfs/dbraw/zinc/49/58/70/409495870.db2.gz XNWWBPHXRVGHBQ-HOMQSWHASA-N 0 3 193.246 1.005 20 0 ADADHN C[C@H](O)CCNCc1ccncc1F 657806746 409496224 /nfs/dbraw/zinc/49/62/24/409496224.db2.gz LBOAQYQAXJDVKJ-QMMMGPOBSA-N 0 3 198.241 1.081 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@H](O)C2)nc1 657808966 409496000 /nfs/dbraw/zinc/49/60/00/409496000.db2.gz CQLVHDKENAGJMM-XYPYZODXSA-N 0 3 192.262 1.003 20 0 ADADHN O[C@H]1C[C@H](NCc2ccccc2F)C1 657806290 409496018 /nfs/dbraw/zinc/49/60/18/409496018.db2.gz JUGXOBVLSQXCGE-MGCOHNPYSA-N 0 3 195.237 1.439 20 0 ADADHN Cc1cccc(CN[C@H]2C[C@H](O)C2)c1 657806101 409496129 /nfs/dbraw/zinc/49/61/29/409496129.db2.gz IAMRDZURGSCBED-HAQNSBGRSA-N 0 3 191.274 1.608 20 0 ADADHN Cc1occc1CN[C@H]1C[C@H](O)C1 657809021 409496168 /nfs/dbraw/zinc/49/61/68/409496168.db2.gz SGKFQIMYNVGCMN-MGCOHNPYSA-N 0 3 181.235 1.201 20 0 ADADHN Cc1ccoc1CN[C@H]1C[C@H](O)C1 657809029 409496207 /nfs/dbraw/zinc/49/62/07/409496207.db2.gz DIJXNKPHJJNROG-KYZUINATSA-N 0 3 181.235 1.201 20 0 ADADHN Cc1cnccc1CN[C@H]1C[C@H](O)C1 657808418 409496237 /nfs/dbraw/zinc/49/62/37/409496237.db2.gz IZHSOECHGSVEAQ-XYPYZODXSA-N 0 3 192.262 1.003 20 0 ADADHN O[C@H]1C[C@H](NCc2cccc(F)c2)C1 657806875 409496319 /nfs/dbraw/zinc/49/63/19/409496319.db2.gz WTAPREWZPUOTJL-XYPYZODXSA-N 0 3 195.237 1.439 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@H](O)C2)o1 657810101 409496962 /nfs/dbraw/zinc/49/69/62/409496962.db2.gz UDJHTEPNMJFAQW-KYZUINATSA-N 0 3 181.235 1.201 20 0 ADADHN Cc1occc1CN(C)CC[C@H](C)O 134002989 409497010 /nfs/dbraw/zinc/49/70/10/409497010.db2.gz GTVWSVJCHLGQQL-VIFPVBQESA-N 0 3 197.278 1.791 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@H](O)C2)s1 657809842 409497388 /nfs/dbraw/zinc/49/73/88/409497388.db2.gz PKGKLDYPDAXXTG-KYZUINATSA-N 0 3 197.303 1.669 20 0 ADADHN O[C@H]1C[C@H](NCc2cccs2)C1 657810023 409497640 /nfs/dbraw/zinc/49/76/40/409497640.db2.gz RKFAWRBCXSQVEC-ZKCHVHJHSA-N 0 3 183.276 1.361 20 0 ADADHN Cc1ncsc1CN[C@H]1C[C@H](O)C1 657809629 409497978 /nfs/dbraw/zinc/49/79/78/409497978.db2.gz MHZGNZVIKRIUGZ-ZKCHVHJHSA-N 0 3 198.291 1.064 20 0 ADADHN Cc1ccncc1CN[C@H]1C[C@H](O)C1 657809701 409498229 /nfs/dbraw/zinc/49/82/29/409498229.db2.gz OVATVQIBHFRMHY-XYPYZODXSA-N 0 3 192.262 1.003 20 0 ADADHN Cc1ncccc1CN[C@H]1C[C@H](O)C1 657809717 409498278 /nfs/dbraw/zinc/49/82/78/409498278.db2.gz MNVCTMSKVQDNAI-XYPYZODXSA-N 0 3 192.262 1.003 20 0 ADADHN O[C@H]1C[C@H](NCc2ccsc2)C1 657810302 409498393 /nfs/dbraw/zinc/49/83/93/409498393.db2.gz ZXZDQZYXMDBGEX-KYZUINATSA-N 0 3 183.276 1.361 20 0 ADADHN Cc1ccsc1CN[C@H]1C[C@H](O)C1 657809231 409498465 /nfs/dbraw/zinc/49/84/65/409498465.db2.gz GCJPEFAJOLUTNS-KYZUINATSA-N 0 3 197.303 1.669 20 0 ADADHN C[C@@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 133808038 409498713 /nfs/dbraw/zinc/49/87/13/409498713.db2.gz CSWOSPBBIQBWBA-UTLUCORTSA-N 0 3 196.294 1.125 20 0 ADADHN c1cc2n(n1)CCC[C@H]2NC1CC1 657820047 409499013 /nfs/dbraw/zinc/49/90/13/409499013.db2.gz ZZYMKKUNPZQXSR-SECBINFHSA-N 0 3 177.251 1.470 20 0 ADADHN c1cc2n(n1)CCC[C@@H]2NC1CC1 657820048 409499374 /nfs/dbraw/zinc/49/93/74/409499374.db2.gz ZZYMKKUNPZQXSR-VIFPVBQESA-N 0 3 177.251 1.470 20 0 ADADHN C[C@H]1OCC[C@H]1NCCC(F)(F)F 134093443 409499992 /nfs/dbraw/zinc/49/99/92/409499992.db2.gz OBWNAOJTESELPF-RNFRBKRXSA-N 0 3 197.200 1.706 20 0 ADADHN c1cc2n(n1)CCC[C@H]2NC1CCC1 657912463 409502017 /nfs/dbraw/zinc/50/20/17/409502017.db2.gz HNGFFMACAMWAIC-SNVBAGLBSA-N 0 3 191.278 1.860 20 0 ADADHN c1cc2n(n1)CCC[C@@H]2NC1CCC1 657912462 409502815 /nfs/dbraw/zinc/50/28/15/409502815.db2.gz HNGFFMACAMWAIC-JTQLQIEISA-N 0 3 191.278 1.860 20 0 ADADHN COCC1(N[C@@H]2COC(C)(C)C2)CC1 657952148 409503827 /nfs/dbraw/zinc/50/38/27/409503827.db2.gz HYUXIZROMKSGSP-VIFPVBQESA-N 0 3 199.294 1.323 20 0 ADADHN CCN1C[C@H](C)OC[C@@H]1C 167973493 409504343 /nfs/dbraw/zinc/50/43/43/409504343.db2.gz HPUOCIKEXARTEL-YUMQZZPRSA-N 0 3 143.230 1.116 20 0 ADADHN COCC1(N[C@H]2COC(C)(C)C2)CC1 657952146 409504407 /nfs/dbraw/zinc/50/44/07/409504407.db2.gz HYUXIZROMKSGSP-SECBINFHSA-N 0 3 199.294 1.323 20 0 ADADHN CC(C)C[C@H](C)N1CCOCC1 196391996 409506825 /nfs/dbraw/zinc/50/68/25/409506825.db2.gz ZJYGMBNNLDQNPZ-JTQLQIEISA-N 0 3 171.284 1.753 20 0 ADADHN CC(C)C[C@@H](C)N1CCOCC1 196391989 409506906 /nfs/dbraw/zinc/50/69/06/409506906.db2.gz ZJYGMBNNLDQNPZ-SNVBAGLBSA-N 0 3 171.284 1.753 20 0 ADADHN C[C@@H](NC/C=C\CO)c1ccsc1 658132357 409508425 /nfs/dbraw/zinc/50/84/25/409508425.db2.gz HFLDBJXLXIMGDS-PKRMOACSSA-N 0 3 197.303 1.947 20 0 ADADHN C[C@H](NC/C=C/CO)c1cccs1 658132186 409508537 /nfs/dbraw/zinc/50/85/37/409508537.db2.gz JINCDOOSFXKFNX-HPOULIHZSA-N 0 3 197.303 1.947 20 0 ADADHN C[C@@H](NC/C=C\CO)c1cccs1 658132187 409508566 /nfs/dbraw/zinc/50/85/66/409508566.db2.gz JINCDOOSFXKFNX-PKRMOACSSA-N 0 3 197.303 1.947 20 0 ADADHN C[C@@H](NC/C=C/CO)c1cccs1 658132185 409508590 /nfs/dbraw/zinc/50/85/90/409508590.db2.gz JINCDOOSFXKFNX-GKQMSVHHSA-N 0 3 197.303 1.947 20 0 ADADHN C[C@H](NC/C=C\CO)c1ccsc1 658132358 409508720 /nfs/dbraw/zinc/50/87/20/409508720.db2.gz HFLDBJXLXIMGDS-XADBCAIWSA-N 0 3 197.303 1.947 20 0 ADADHN C[C@@H](NC/C=C/CO)c1ccsc1 658132355 409508733 /nfs/dbraw/zinc/50/87/33/409508733.db2.gz HFLDBJXLXIMGDS-GKQMSVHHSA-N 0 3 197.303 1.947 20 0 ADADHN C[C@H](NC/C=C/CO)c1ccsc1 658132356 409508795 /nfs/dbraw/zinc/50/87/95/409508795.db2.gz HFLDBJXLXIMGDS-HPOULIHZSA-N 0 3 197.303 1.947 20 0 ADADHN C[C@H](NC/C=C\CO)c1cccs1 658132188 409508931 /nfs/dbraw/zinc/50/89/31/409508931.db2.gz JINCDOOSFXKFNX-XADBCAIWSA-N 0 3 197.303 1.947 20 0 ADADHN CCCCN1CC[C@@H](F)C1 202079352 409510114 /nfs/dbraw/zinc/51/01/14/409510114.db2.gz XZOBFDPJUMGMSF-MRVPVSSYSA-N 0 3 145.221 1.830 20 0 ADADHN C[C@@H](NC/C=C/CO)c1ccncc1 658142311 409510574 /nfs/dbraw/zinc/51/05/74/409510574.db2.gz XQIBSBAPYPRENU-VMZHVLLKSA-N 0 3 192.262 1.281 20 0 ADADHN C[C@H](NC/C=C\CO)c1ccncc1 658142312 409510640 /nfs/dbraw/zinc/51/06/40/409510640.db2.gz XQIBSBAPYPRENU-ZMWSMAPVSA-N 0 3 192.262 1.281 20 0 ADADHN C[C@@H](NC/C=C\CO)c1cccnc1 658141813 409510672 /nfs/dbraw/zinc/51/06/72/409510672.db2.gz WLRUAXYEMQQXCG-MXQLGCADSA-N 0 3 192.262 1.281 20 0 ADADHN C[C@H](NC/C=C\CO)c1cccnc1 658141816 409510697 /nfs/dbraw/zinc/51/06/97/409510697.db2.gz WLRUAXYEMQQXCG-ZMWSMAPVSA-N 0 3 192.262 1.281 20 0 ADADHN C[C@@H](NC/C=C\CO)c1ccncc1 658142309 409510880 /nfs/dbraw/zinc/51/08/80/409510880.db2.gz XQIBSBAPYPRENU-MXQLGCADSA-N 0 3 192.262 1.281 20 0 ADADHN C[C@H](NC/C=C/CO)c1cccnc1 658141814 409511077 /nfs/dbraw/zinc/51/10/77/409511077.db2.gz WLRUAXYEMQQXCG-PBKGFPTLSA-N 0 3 192.262 1.281 20 0 ADADHN C[C@@H](NC/C=C/CO)c1cccnc1 658141815 409511205 /nfs/dbraw/zinc/51/12/05/409511205.db2.gz WLRUAXYEMQQXCG-VMZHVLLKSA-N 0 3 192.262 1.281 20 0 ADADHN C[C@H](NC/C=C/CO)c1ccncc1 658142310 409511212 /nfs/dbraw/zinc/51/12/12/409511212.db2.gz XQIBSBAPYPRENU-PBKGFPTLSA-N 0 3 192.262 1.281 20 0 ADADHN CC[C@@H](O)CN[C@@H](C)c1c[nH]nc1C 658189675 409511659 /nfs/dbraw/zinc/51/16/59/409511659.db2.gz PZSPEYLECZVYJA-IONNQARKSA-N 0 3 197.282 1.140 20 0 ADADHN Oc1cccc(CN2C[C@H]3C[C@H]3C2)c1 213412691 409512011 /nfs/dbraw/zinc/51/20/11/409512011.db2.gz DJEXQDJCQKJSAN-PHIMTYICSA-N 0 3 189.258 1.844 20 0 ADADHN Oc1ccc(CN2C[C@H]3C[C@H]3C2)cc1 213412882 409512061 /nfs/dbraw/zinc/51/20/61/409512061.db2.gz WZQRPRPPHFNBSA-PHIMTYICSA-N 0 3 189.258 1.844 20 0 ADADHN CC[C@@H](O)CN[C@H](C)c1c[nH]nc1C 658189676 409512075 /nfs/dbraw/zinc/51/20/75/409512075.db2.gz PZSPEYLECZVYJA-VXNVDRBHSA-N 0 3 197.282 1.140 20 0 ADADHN CCC[C@@H]1CCCCN1C(=O)CNC 213041155 409512097 /nfs/dbraw/zinc/51/20/97/409512097.db2.gz FHJFYQWGHCMSMC-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN CCOC[C@@H](C)N[C@@H]1C[C@]1(C)OC 658331642 409514804 /nfs/dbraw/zinc/51/48/04/409514804.db2.gz LUSQXMSSUIPJEP-BBBLOLIVSA-N 0 3 187.283 1.178 20 0 ADADHN CO[C@@]1(C)C[C@H]1N[C@H]1COC(C)(C)C1 658331069 409515153 /nfs/dbraw/zinc/51/51/53/409515153.db2.gz LOKJBEJTDCMBDF-KKZNHRDASA-N 0 3 199.294 1.321 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1cccs1 658352456 409523957 /nfs/dbraw/zinc/52/39/57/409523957.db2.gz WBANUCGUZBLXLQ-CIUDSAMLSA-N 0 3 197.303 1.922 20 0 ADADHN CO[C@@]1(C)C[C@H]1N[C@@H]1COC(C)(C)C1 658331071 409515961 /nfs/dbraw/zinc/51/59/61/409515961.db2.gz LOKJBEJTDCMBDF-NGZCFLSTSA-N 0 3 199.294 1.321 20 0 ADADHN CCOC[C@H](C)N[C@@H]1C[C@]1(C)OC 658331641 409515982 /nfs/dbraw/zinc/51/59/82/409515982.db2.gz LUSQXMSSUIPJEP-AEJSXWLSSA-N 0 3 187.283 1.178 20 0 ADADHN COCCCN1CC[C@@H](F)C1 219544673 409517154 /nfs/dbraw/zinc/51/71/54/409517154.db2.gz ZZZWSFSHXQDWTA-MRVPVSSYSA-N 0 3 161.220 1.067 20 0 ADADHN COCCCN1CC[C@H](F)C1 219544596 409517316 /nfs/dbraw/zinc/51/73/16/409517316.db2.gz ZZZWSFSHXQDWTA-QMMMGPOBSA-N 0 3 161.220 1.067 20 0 ADADHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cn[nH]c1 658333412 409517472 /nfs/dbraw/zinc/51/74/72/409517472.db2.gz YFFZEFQWWOZOQM-QNSHHTMESA-N 0 3 195.266 1.238 20 0 ADADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cn[nH]c1 658333413 409517836 /nfs/dbraw/zinc/51/78/36/409517836.db2.gz YFFZEFQWWOZOQM-SFGNSQDASA-N 0 3 195.266 1.238 20 0 ADADHN CC(C)[C@H](O)CN(C)Cc1ccoc1 300837677 409535862 /nfs/dbraw/zinc/53/58/62/409535862.db2.gz DPBIAMAJXOGAJJ-LLVKDONJSA-N 0 3 197.278 1.728 20 0 ADADHN CC(C)NCC(=O)N1[C@@H](C)CC[C@@H]1C 659247843 409527442 /nfs/dbraw/zinc/52/74/42/409527442.db2.gz ZKACWNCROQXFRD-UWVGGRQHSA-N 0 3 198.310 1.384 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccsc1 658351121 409520143 /nfs/dbraw/zinc/52/01/43/409520143.db2.gz STJODJHZZSLCDD-SZEHBUNVSA-N 0 3 197.303 1.922 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1cccnc1 658349234 409520181 /nfs/dbraw/zinc/52/01/81/409520181.db2.gz HJEULFIEYIZVGL-FBIMIBRVSA-N 0 3 192.262 1.256 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1cncs1 658350537 409520285 /nfs/dbraw/zinc/52/02/85/409520285.db2.gz QDFZJOFCBUVIFF-FXQIFTODSA-N 0 3 198.291 1.317 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccncc1 658349531 409520313 /nfs/dbraw/zinc/52/03/13/409520313.db2.gz JSVYIPMYTCLPDD-LSJOCFKGSA-N 0 3 192.262 1.256 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccoc1 658350217 409520396 /nfs/dbraw/zinc/52/03/96/409520396.db2.gz NMIWEPPOZPZCGV-SZEHBUNVSA-N 0 3 181.235 1.454 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccsc1 658351120 409520532 /nfs/dbraw/zinc/52/05/32/409520532.db2.gz STJODJHZZSLCDD-HGNGGELXSA-N 0 3 197.303 1.922 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccccn1 658351464 409520683 /nfs/dbraw/zinc/52/06/83/409520683.db2.gz WOHPUVOXPHNISX-OPRDCNLKSA-N 0 3 192.262 1.256 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1cccnc1 658349235 409520894 /nfs/dbraw/zinc/52/08/94/409520894.db2.gz HJEULFIEYIZVGL-LSJOCFKGSA-N 0 3 192.262 1.256 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccoc1 658350215 409521034 /nfs/dbraw/zinc/52/10/34/409521034.db2.gz NMIWEPPOZPZCGV-HGNGGELXSA-N 0 3 181.235 1.454 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccccn1 658351463 409521160 /nfs/dbraw/zinc/52/11/60/409521160.db2.gz WOHPUVOXPHNISX-GUBZILKMSA-N 0 3 192.262 1.256 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1cncs1 658350535 409521629 /nfs/dbraw/zinc/52/16/29/409521629.db2.gz QDFZJOFCBUVIFF-BWZBUEFSSA-N 0 3 198.291 1.317 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccncc1 658349530 409521292 /nfs/dbraw/zinc/52/12/92/409521292.db2.gz JSVYIPMYTCLPDD-FBIMIBRVSA-N 0 3 192.262 1.256 20 0 ADADHN Cc1ccc([C@@H](C)N[C@H]2C[C@H](O)C2)o1 658350143 409521422 /nfs/dbraw/zinc/52/14/22/409521422.db2.gz CBHUKFIMQPUWHZ-OPRDCNLKSA-N 0 3 195.262 1.762 20 0 ADADHN Cc1ccc([C@H](C)N[C@H]2C[C@H](O)C2)o1 658350142 409521509 /nfs/dbraw/zinc/52/15/09/409521509.db2.gz CBHUKFIMQPUWHZ-GUBZILKMSA-N 0 3 195.262 1.762 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccco1 658352527 409522879 /nfs/dbraw/zinc/52/28/79/409522879.db2.gz YGSCVTTXOLWOFT-IWSPIJDZSA-N 0 3 181.235 1.454 20 0 ADADHN CC(C)(N)C(=O)NCCCC1CCC1 658954597 409522904 /nfs/dbraw/zinc/52/29/04/409522904.db2.gz KZPBWCHCNLEIKI-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](C)CCNC(=O)C(C)(C)N 658939290 409523055 /nfs/dbraw/zinc/52/30/55/409523055.db2.gz BSAXENGCNFTTEL-MRVPVSSYSA-N 0 3 186.299 1.276 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1cccs1 658352457 409523168 /nfs/dbraw/zinc/52/31/68/409523168.db2.gz WBANUCGUZBLXLQ-IWSPIJDZSA-N 0 3 197.303 1.922 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@@]1(C)CC1(C)C 658964613 409523340 /nfs/dbraw/zinc/52/33/40/409523340.db2.gz YLFFXALCPAYQGT-KWQFWETISA-N 0 3 198.310 1.275 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccccc1 658352799 409523463 /nfs/dbraw/zinc/52/34/63/409523463.db2.gz YUGNDSKWIUZEMM-DLOVCJGASA-N 0 3 191.274 1.861 20 0 ADADHN CC[C@H](C)CCNC(=O)C(C)(C)N 658939291 409523482 /nfs/dbraw/zinc/52/34/82/409523482.db2.gz BSAXENGCNFTTEL-QMMMGPOBSA-N 0 3 186.299 1.276 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@]1(C)CC1(C)C 658964612 409523555 /nfs/dbraw/zinc/52/35/55/409523555.db2.gz YLFFXALCPAYQGT-GZMMTYOYSA-N 0 3 198.310 1.275 20 0 ADADHN CC(C)[C@H](N)C(=O)NCC1=CCCC1 658961913 409523712 /nfs/dbraw/zinc/52/37/12/409523712.db2.gz DGICRNXKRBAYJE-JTQLQIEISA-N 0 3 196.294 1.196 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@]12CCC[C@H]1C2 658928690 409523825 /nfs/dbraw/zinc/52/38/25/409523825.db2.gz BRTGTVKRNZMDDQ-QXEWZRGKSA-N 0 3 196.294 1.029 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccccc1 658352800 409523907 /nfs/dbraw/zinc/52/39/07/409523907.db2.gz YUGNDSKWIUZEMM-YUSALJHKSA-N 0 3 191.274 1.861 20 0 ADADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccco1 658352526 409523944 /nfs/dbraw/zinc/52/39/44/409523944.db2.gz YGSCVTTXOLWOFT-CIUDSAMLSA-N 0 3 181.235 1.454 20 0 ADADHN CC(C)[C@H](N)C(=O)N[C@@]12CCC[C@@H]1C2 658928691 409524073 /nfs/dbraw/zinc/52/40/73/409524073.db2.gz BRTGTVKRNZMDDQ-WCABBAIRSA-N 0 3 196.294 1.029 20 0 ADADHN CC(C)NCC(=O)N(C(C)C)C1CC1 659272055 409525709 /nfs/dbraw/zinc/52/57/09/409525709.db2.gz WQLDXRRZIOXKPD-UHFFFAOYSA-N 0 3 198.310 1.384 20 0 ADADHN CC(C)NCC(=O)N[C@]12CCC[C@H]1C2 659336750 409526228 /nfs/dbraw/zinc/52/62/28/409526228.db2.gz OHBNHKOBBVVVGF-ONGXEEELSA-N 0 3 196.294 1.043 20 0 ADADHN CCCCN(C)CC(=O)NCCC 242440682 409526245 /nfs/dbraw/zinc/52/62/45/409526245.db2.gz BMIHCPJDBFZJEO-UHFFFAOYSA-N 0 3 186.299 1.245 20 0 ADADHN CC(C)NCC(=O)N1[C@@H](C)CC[C@H]1C 659247841 409526438 /nfs/dbraw/zinc/52/64/38/409526438.db2.gz ZKACWNCROQXFRD-AOOOYVTPSA-N 0 3 198.310 1.384 20 0 ADADHN CC(C)NCC(=O)N[C@@]12CCC[C@@H]1C2 659336749 409526630 /nfs/dbraw/zinc/52/66/30/409526630.db2.gz OHBNHKOBBVVVGF-MWLCHTKSSA-N 0 3 196.294 1.043 20 0 ADADHN CC(C)NCC(=O)N1[C@H](C)CC[C@H]1C 659247842 409527158 /nfs/dbraw/zinc/52/71/58/409527158.db2.gz ZKACWNCROQXFRD-NXEZZACHSA-N 0 3 198.310 1.384 20 0 ADADHN CCN(C(=O)CNC(C)C)C1CCC1 659276423 409527342 /nfs/dbraw/zinc/52/73/42/409527342.db2.gz OGRKXUPSTIUWNJ-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CC(C)NCC(=O)NCCC1(C)CC1 659313709 409527391 /nfs/dbraw/zinc/52/73/91/409527391.db2.gz MVUBNKGKDPLBAI-UHFFFAOYSA-N 0 3 198.310 1.291 20 0 ADADHN CC(C)NCC(=O)NC1(C2CC2)CC1 659260681 409527594 /nfs/dbraw/zinc/52/75/94/409527594.db2.gz NXIUGSIOMCLDBP-UHFFFAOYSA-N 0 3 196.294 1.043 20 0 ADADHN NC1(C(=O)NCCCC2CCC2)CC1 659360442 409528542 /nfs/dbraw/zinc/52/85/42/409528542.db2.gz COAHGEURHRKSRW-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN C[C@@H](N)C(=O)NCCCC1CCC1 659362072 409529044 /nfs/dbraw/zinc/52/90/44/409529044.db2.gz NXKGQGSNEPIIMW-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)NCC(=O)NCC1=CCCC1 659379138 409529904 /nfs/dbraw/zinc/52/99/04/409529904.db2.gz AAELXPZYSYRKBZ-UHFFFAOYSA-N 0 3 196.294 1.211 20 0 ADADHN CC[C@H](C)CCNC(=O)CNC1CC1 659341418 409530078 /nfs/dbraw/zinc/53/00/78/409530078.db2.gz VZJPECPKOSBXHB-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@@H](C)CCNC(=O)C1(N)CC1 659340251 409530140 /nfs/dbraw/zinc/53/01/40/409530140.db2.gz JHCBYXUCMCRMNK-MRVPVSSYSA-N 0 3 184.283 1.030 20 0 ADADHN C[C@H](N)C(=O)NCCCC1CCC1 659362073 409530428 /nfs/dbraw/zinc/53/04/28/409530428.db2.gz NXKGQGSNEPIIMW-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN CC1(C)C[C@@]1(C)NC(=O)CNC1CC1 659379166 409530445 /nfs/dbraw/zinc/53/04/45/409530445.db2.gz AZZQZDFHAXVNBR-LLVKDONJSA-N 0 3 196.294 1.043 20 0 ADADHN CC[C@@H](C)CCNC(=O)[C@H](C)NC 659340358 409530627 /nfs/dbraw/zinc/53/06/27/409530627.db2.gz KLZURHOGOOXPFK-BDAKNGLRSA-N 0 3 186.299 1.147 20 0 ADADHN CC[C@@H](C)CCNC(=O)CNC1CC1 659341416 409530659 /nfs/dbraw/zinc/53/06/59/409530659.db2.gz VZJPECPKOSBXHB-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CC1(C)C[C@]1(C)NC(=O)CNC1CC1 659379167 409530755 /nfs/dbraw/zinc/53/07/55/409530755.db2.gz AZZQZDFHAXVNBR-NSHDSACASA-N 0 3 196.294 1.043 20 0 ADADHN CN[C@@H](C)C(=O)NCCCC1CCC1 659361684 409530875 /nfs/dbraw/zinc/53/08/75/409530875.db2.gz MAMYIXNIPRNLBH-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CC[C@H](C)CCNC(=O)C1(N)CC1 659340253 409531036 /nfs/dbraw/zinc/53/10/36/409531036.db2.gz JHCBYXUCMCRMNK-QMMMGPOBSA-N 0 3 184.283 1.030 20 0 ADADHN CC(C)NCC(=O)N[C@]1(C)CC1(C)C 659380125 409532283 /nfs/dbraw/zinc/53/22/83/409532283.db2.gz XJPVYFAQCGIOCP-LLVKDONJSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@H](C)CCNC(=O)[C@H](C)NC 659340360 409531206 /nfs/dbraw/zinc/53/12/06/409531206.db2.gz KLZURHOGOOXPFK-IUCAKERBSA-N 0 3 186.299 1.147 20 0 ADADHN CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)N 659383761 409532273 /nfs/dbraw/zinc/53/22/73/409532273.db2.gz ONNJPWIGHSOFFZ-BDBFLJFWSA-N 0 3 196.294 1.123 20 0 ADADHN CC(C)CC1(NC(=O)[C@H](C)N)CC1 659382703 409532511 /nfs/dbraw/zinc/53/25/11/409532511.db2.gz NJSULRNQVRGHCM-QMMMGPOBSA-N 0 3 184.283 1.029 20 0 ADADHN CC(C)CC1(NC(=O)[C@@H](C)N)CC1 659382702 409532617 /nfs/dbraw/zinc/53/26/17/409532617.db2.gz NJSULRNQVRGHCM-MRVPVSSYSA-N 0 3 184.283 1.029 20 0 ADADHN CN[C@@H](C)C(=O)NC1(CC(C)C)CC1 659382669 409532852 /nfs/dbraw/zinc/53/28/52/409532852.db2.gz MHTKMANOPYQTEV-VIFPVBQESA-N 0 3 198.310 1.289 20 0 ADADHN CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)N 659383765 409533078 /nfs/dbraw/zinc/53/30/78/409533078.db2.gz ONNJPWIGHSOFFZ-JVSARINNSA-N 0 3 196.294 1.123 20 0 ADADHN CC[C@@H]1CCC[C@H](C)N1C(=O)CNC 659386679 409533320 /nfs/dbraw/zinc/53/33/20/409533320.db2.gz QDCIIPRYMPMMKD-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1cn[nH]c1 300396079 409533772 /nfs/dbraw/zinc/53/37/72/409533772.db2.gz XKLWVOWJAFQEBF-IWSPIJDZSA-N 0 3 197.282 1.484 20 0 ADADHN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@H](C)N 659386873 409534370 /nfs/dbraw/zinc/53/43/70/409534370.db2.gz SQOGJJCESXMROV-LPEHRKFASA-N 0 3 198.310 1.513 20 0 ADADHN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N 659386872 409534603 /nfs/dbraw/zinc/53/46/03/409534603.db2.gz SQOGJJCESXMROV-IVZWLZJFSA-N 0 3 198.310 1.513 20 0 ADADHN CC(C)NCC(=O)N[C@@]1(C)CC1(C)C 659380127 409534620 /nfs/dbraw/zinc/53/46/20/409534620.db2.gz XJPVYFAQCGIOCP-NSHDSACASA-N 0 3 198.310 1.289 20 0 ADADHN CCC(=O)CCCN(C)CCCO 300775936 409535308 /nfs/dbraw/zinc/53/53/08/409535308.db2.gz DVGGCEMCIVQHLL-UHFFFAOYSA-N 0 3 187.283 1.060 20 0 ADADHN CC(C)[C@@H](O)CN(C)Cc1ccoc1 300837678 409537697 /nfs/dbraw/zinc/53/76/97/409537697.db2.gz DPBIAMAJXOGAJJ-NSHDSACASA-N 0 3 197.278 1.728 20 0 ADADHN C[C@H]1CN(CCC2CCC2)CCO1 659811532 409542458 /nfs/dbraw/zinc/54/24/58/409542458.db2.gz LIWMENIBKNMBSZ-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN C[C@@H]1CN(CCC2CCC2)CCO1 659811533 409542519 /nfs/dbraw/zinc/54/25/19/409542519.db2.gz LIWMENIBKNMBSZ-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN CC(C)N(CC(N)=O)CC1CC=CC1 659823027 409542714 /nfs/dbraw/zinc/54/27/14/409542714.db2.gz QRLXHKPUJCNFDN-UHFFFAOYSA-N 0 3 196.294 1.148 20 0 ADADHN C[C@H]1CN(CC2CC=CC2)CCO1 659810097 409542760 /nfs/dbraw/zinc/54/27/60/409542760.db2.gz BOSFINNLCFVFRM-JTQLQIEISA-N 0 3 181.279 1.673 20 0 ADADHN CCN1CCN(CCC2CCC2)CC1 659826914 409542789 /nfs/dbraw/zinc/54/27/89/409542789.db2.gz LIZJNQGYKKHSET-UHFFFAOYSA-N 0 3 196.338 1.814 20 0 ADADHN C[C@H]1CN([C@@H]2CCO[C@H](C)C2)CCO1 659811126 409542919 /nfs/dbraw/zinc/54/29/19/409542919.db2.gz IPSBAZZZQUXMGK-OUAUKWLOSA-N 0 3 199.294 1.275 20 0 ADADHN CCCCN(C)[C@H]1CCN(CC)C1=O 659814243 409543150 /nfs/dbraw/zinc/54/31/50/409543150.db2.gz OYCUJHNADPJCRB-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)=CCCN(CC(N)=O)C(C)C 659823487 409543225 /nfs/dbraw/zinc/54/32/25/409543225.db2.gz UINXYCMACBGIJT-UHFFFAOYSA-N 0 3 198.310 1.538 20 0 ADADHN CCN(CC)Cc1cc(C)nc(C)n1 659826407 409543667 /nfs/dbraw/zinc/54/36/67/409543667.db2.gz JBXSTSJRVGZGSI-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CN(Cc1cn(C)cn1)C1CCCC1 659824376 409544311 /nfs/dbraw/zinc/54/43/11/409544311.db2.gz RKHPVPLMKKIDEB-UHFFFAOYSA-N 0 3 193.294 1.795 20 0 ADADHN CC(C)N(CCC1CCC1)CC(N)=O 659823335 409544356 /nfs/dbraw/zinc/54/43/56/409544356.db2.gz RPYMAFDEVAGSTP-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@@H]1CN(CC2CC=CC2)CCO1 659810099 409544669 /nfs/dbraw/zinc/54/46/69/409544669.db2.gz BOSFINNLCFVFRM-SNVBAGLBSA-N 0 3 181.279 1.673 20 0 ADADHN CCCCN(C)[C@@H]1CCN(CC)C1=O 659814244 409545049 /nfs/dbraw/zinc/54/50/49/409545049.db2.gz OYCUJHNADPJCRB-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CC(C)=CCCN1CCN(C)CC1 659832435 409546847 /nfs/dbraw/zinc/54/68/47/409546847.db2.gz RNHZDKJSZUJUBF-UHFFFAOYSA-N 0 3 182.311 1.590 20 0 ADADHN Cc1cc(CN2CCCC2)nc(C)n1 659827854 409547016 /nfs/dbraw/zinc/54/70/16/409547016.db2.gz SLYNOBHPTHLFOT-UHFFFAOYSA-N 0 3 191.278 1.689 20 0 ADADHN CN(CCC1CCC1)CC(=O)N(C)C 659831694 409547703 /nfs/dbraw/zinc/54/77/03/409547703.db2.gz TZSSRNJGZBVOTH-UHFFFAOYSA-N 0 3 198.310 1.197 20 0 ADADHN CCN1CCN(CCC=C(C)C)CC1 659828134 409547864 /nfs/dbraw/zinc/54/78/64/409547864.db2.gz XDQFHXBHSVUREG-UHFFFAOYSA-N 0 3 196.338 1.980 20 0 ADADHN CC1(C)C[C@H](N2CCC(O)CC2)CO1 659833230 409547984 /nfs/dbraw/zinc/54/79/84/409547984.db2.gz HYFBHLLDVSVWIJ-VIFPVBQESA-N 0 3 199.294 1.011 20 0 ADADHN CN1CCN(CCCC2CCC2)CC1 659832110 409548520 /nfs/dbraw/zinc/54/85/20/409548520.db2.gz NGNIKXWGGSVQEV-UHFFFAOYSA-N 0 3 196.338 1.814 20 0 ADADHN CC1(C)C[C@@H](N2CCC(O)CC2)CO1 659833229 409548746 /nfs/dbraw/zinc/54/87/46/409548746.db2.gz HYFBHLLDVSVWIJ-SECBINFHSA-N 0 3 199.294 1.011 20 0 ADADHN CNC(=O)CN(C)CCCC1CCC1 659837412 409550361 /nfs/dbraw/zinc/55/03/61/409550361.db2.gz FHFAYOPMQNVKFO-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCC(CC)CN(C)CC(=O)NC 659837697 409551375 /nfs/dbraw/zinc/55/13/75/409551375.db2.gz HSUPAOKIUZSOTP-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN c1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)no1 306262291 409552156 /nfs/dbraw/zinc/55/21/56/409552156.db2.gz YIQMGORPTCGPEE-DVVUODLYSA-N 0 3 192.262 1.953 20 0 ADADHN CCN1CC[C@@H](N(C)CC(C)C)C1=O 659857708 409554197 /nfs/dbraw/zinc/55/41/97/409554197.db2.gz OXANSWGSMSXMKH-SNVBAGLBSA-N 0 3 198.310 1.195 20 0 ADADHN CCNC(=O)CN(C)CC1CC=CC1 659847077 409554217 /nfs/dbraw/zinc/55/42/17/409554217.db2.gz KODYXFZHOHWYCZ-UHFFFAOYSA-N 0 3 196.294 1.021 20 0 ADADHN CCCN(CC)[C@@H]1CCN(CC)C1=O 659856553 409554941 /nfs/dbraw/zinc/55/49/41/409554941.db2.gz DTNWHTCSHPOKRN-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCCN(CC)[C@H]1CCN(CC)C1=O 659856551 409554962 /nfs/dbraw/zinc/55/49/62/409554962.db2.gz DTNWHTCSHPOKRN-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN COCCN(C)[C@H]1COC(C)(C)C1 659849412 409555628 /nfs/dbraw/zinc/55/56/28/409555628.db2.gz OVKOCHKRKLVTEW-SECBINFHSA-N 0 3 187.283 1.132 20 0 ADADHN CCNC(=O)CN(C)CCC1CCC1 659846263 409556190 /nfs/dbraw/zinc/55/61/90/409556190.db2.gz DVLVGYIETBISDF-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN CCN1CC[C@H](N(C)CC(C)C)C1=O 659857707 409556219 /nfs/dbraw/zinc/55/62/19/409556219.db2.gz OXANSWGSMSXMKH-JTQLQIEISA-N 0 3 198.310 1.195 20 0 ADADHN COCCN(C)[C@@H]1COC(C)(C)C1 659849413 409557083 /nfs/dbraw/zinc/55/70/83/409557083.db2.gz OVKOCHKRKLVTEW-VIFPVBQESA-N 0 3 187.283 1.132 20 0 ADADHN CC1(C)C[C@@H](N2CCCOCC2)CO1 659860805 409557560 /nfs/dbraw/zinc/55/75/60/409557560.db2.gz FVJQSTGKFIXOKG-SNVBAGLBSA-N 0 3 199.294 1.276 20 0 ADADHN CC1(C)C[C@H](N2CCCOCC2)CO1 659860804 409557624 /nfs/dbraw/zinc/55/76/24/409557624.db2.gz FVJQSTGKFIXOKG-JTQLQIEISA-N 0 3 199.294 1.276 20 0 ADADHN c1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)on1 306357833 409561200 /nfs/dbraw/zinc/56/12/00/409561200.db2.gz XXXZILUHGBFUNM-DVVUODLYSA-N 0 3 192.262 1.953 20 0 ADADHN c1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)no1 306363525 409562008 /nfs/dbraw/zinc/56/20/08/409562008.db2.gz YIQMGORPTCGPEE-JMJZKYOTSA-N 0 3 192.262 1.953 20 0 ADADHN CC[C@@H](C)CN(C)Cc1cn(C)cn1 659915547 409563186 /nfs/dbraw/zinc/56/31/86/409563186.db2.gz HYTVBPUOLLRZBX-SNVBAGLBSA-N 0 3 195.310 1.898 20 0 ADADHN CC[C@H](C)CN(C)Cc1cn(C)cn1 659915546 409563397 /nfs/dbraw/zinc/56/33/97/409563397.db2.gz HYTVBPUOLLRZBX-JTQLQIEISA-N 0 3 195.310 1.898 20 0 ADADHN CCN1CC[C@@H](N2CCC[C@@H]2C)C1=O 659970759 409567272 /nfs/dbraw/zinc/56/72/72/409567272.db2.gz MAFOKWYEPHUARN-VHSXEESVSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@H]1CN(Cc2cn(C)cn2)C[C@@H]1C 659968218 409567952 /nfs/dbraw/zinc/56/79/52/409567952.db2.gz CIYSPJDMEIUGOR-UWVGGRQHSA-N 0 3 193.294 1.508 20 0 ADADHN CCN1CC[C@H](N2CCC[C@@H]2C)C1=O 659970757 409568166 /nfs/dbraw/zinc/56/81/66/409568166.db2.gz MAFOKWYEPHUARN-UWVGGRQHSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@@H]1CN(Cc2cn(C)cn2)C[C@H]1C 659968217 409568230 /nfs/dbraw/zinc/56/82/30/409568230.db2.gz CIYSPJDMEIUGOR-NXEZZACHSA-N 0 3 193.294 1.508 20 0 ADADHN C[C@@H]1CN(Cc2cn(C)cn2)C[C@@H]1C 659968216 409569635 /nfs/dbraw/zinc/56/96/35/409569635.db2.gz CIYSPJDMEIUGOR-AOOOYVTPSA-N 0 3 193.294 1.508 20 0 ADADHN CCN1CC[C@H](N2CCC[C@H]2C)C1=O 659970761 409569912 /nfs/dbraw/zinc/56/99/12/409569912.db2.gz MAFOKWYEPHUARN-ZJUUUORDSA-N 0 3 196.294 1.092 20 0 ADADHN CCN1CC[C@@H](N2CCC[C@H]2C)C1=O 659970756 409570431 /nfs/dbraw/zinc/57/04/31/409570431.db2.gz MAFOKWYEPHUARN-NXEZZACHSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@@H]1CCCN1Cc1cn(C)cn1 659971753 409571953 /nfs/dbraw/zinc/57/19/53/409571953.db2.gz QQKYLGOWULAMMO-SECBINFHSA-N 0 3 179.267 1.404 20 0 ADADHN C[C@@H]1CCN(Cc2cn(C)cn2)[C@@H]1C 659984719 409572005 /nfs/dbraw/zinc/57/20/05/409572005.db2.gz RZTRDUSGGFIVNH-NXEZZACHSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1[C@H](C)CCN1Cc1cn(C)cn1 659984722 409572466 /nfs/dbraw/zinc/57/24/66/409572466.db2.gz RZTRDUSGGFIVNH-ZJUUUORDSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CCN(Cc2cn(C)cn2)[C@@H]1C 659984721 409573792 /nfs/dbraw/zinc/57/37/92/409573792.db2.gz RZTRDUSGGFIVNH-VHSXEESVSA-N 0 3 193.294 1.650 20 0 ADADHN C[C@H]1CCCN1Cc1cn(C)cn1 659971754 409574414 /nfs/dbraw/zinc/57/44/14/409574414.db2.gz QQKYLGOWULAMMO-VIFPVBQESA-N 0 3 179.267 1.404 20 0 ADADHN CC[C@@H]1CCN(Cc2cn(C)cn2)C1 659995790 409574482 /nfs/dbraw/zinc/57/44/82/409574482.db2.gz HNXHIMYXFVWRFC-SNVBAGLBSA-N 0 3 193.294 1.652 20 0 ADADHN C[C@H]1CCN(Cc2cn(C)cn2)[C@H]1C 659984720 409574664 /nfs/dbraw/zinc/57/46/64/409574664.db2.gz RZTRDUSGGFIVNH-UWVGGRQHSA-N 0 3 193.294 1.650 20 0 ADADHN CC[C@H]1CCN(Cc2cn(C)cn2)C1 659995789 409574732 /nfs/dbraw/zinc/57/47/32/409574732.db2.gz HNXHIMYXFVWRFC-JTQLQIEISA-N 0 3 193.294 1.652 20 0 ADADHN C[C@H]1CC[C@H](C)N1Cc1cn(C)cn1 660000385 409575902 /nfs/dbraw/zinc/57/59/02/409575902.db2.gz VMDKUACYNJFQLQ-UWVGGRQHSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@H]1CC[C@@H](C)N1Cc1cn(C)cn1 660000383 409577821 /nfs/dbraw/zinc/57/78/21/409577821.db2.gz VMDKUACYNJFQLQ-AOOOYVTPSA-N 0 3 193.294 1.793 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1Cc1cn(C)cn1 660000384 409578030 /nfs/dbraw/zinc/57/80/30/409578030.db2.gz VMDKUACYNJFQLQ-NXEZZACHSA-N 0 3 193.294 1.793 20 0 ADADHN CN1CCN(CC2=CCCC2)CC1 306608455 409578863 /nfs/dbraw/zinc/57/88/63/409578863.db2.gz JHFBEQNFLGWXKT-UHFFFAOYSA-N 0 3 180.295 1.344 20 0 ADADHN CN(Cc1cn[nH]c1)CC1CC=CC1 660092325 409580622 /nfs/dbraw/zinc/58/06/22/409580622.db2.gz QDBVVYJJEKZMCR-UHFFFAOYSA-N 0 3 191.278 1.808 20 0 ADADHN CC(C)=CCCN(C)[C@@H]1CCNC1=O 660135316 409583715 /nfs/dbraw/zinc/58/37/15/409583715.db2.gz XIXHUXLXQCOIHH-SNVBAGLBSA-N 0 3 196.294 1.163 20 0 ADADHN CC(C)=CCCN(C)[C@H]1CCNC1=O 660135315 409584276 /nfs/dbraw/zinc/58/42/76/409584276.db2.gz XIXHUXLXQCOIHH-JTQLQIEISA-N 0 3 196.294 1.163 20 0 ADADHN c1n[nH]cc1CN1CCC2(CC1)CC2 660144514 409585706 /nfs/dbraw/zinc/58/57/06/409585706.db2.gz FBMNGYAWSIIFRF-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN CC[C@H]1CCC[C@@H]1NC(=O)[C@H](C)N 306754046 409585924 /nfs/dbraw/zinc/58/59/24/409585924.db2.gz PGEVZIDDGSBUET-CIUDSAMLSA-N 0 3 184.283 1.029 20 0 ADADHN CC1CCN(Cc2c[nH]nn2)CC1 306753453 409586410 /nfs/dbraw/zinc/58/64/10/409586410.db2.gz JNICANGHNBUSCK-UHFFFAOYSA-N 0 3 180.255 1.037 20 0 ADADHN CC[C@H]1CCC[C@H]1NC(=O)[C@H](C)N 306754048 409587993 /nfs/dbraw/zinc/58/79/93/409587993.db2.gz PGEVZIDDGSBUET-XHNCKOQMSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccncn1 306764661 409589692 /nfs/dbraw/zinc/58/96/92/409589692.db2.gz ZGPJLRYSNCZWMW-KXUCPTDWSA-N 0 3 191.278 1.926 20 0 ADADHN CC1(C)C[C@H](N2CC=CCC2)CO1 660220805 409589730 /nfs/dbraw/zinc/58/97/30/409589730.db2.gz MZPJGXCNXXBGLF-JTQLQIEISA-N 0 3 181.279 1.816 20 0 ADADHN CC1(C)C[C@@H](N2CC=CCC2)CO1 660220806 409589820 /nfs/dbraw/zinc/58/98/20/409589820.db2.gz MZPJGXCNXXBGLF-SNVBAGLBSA-N 0 3 181.279 1.816 20 0 ADADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccncn1 306764667 409591364 /nfs/dbraw/zinc/59/13/64/409591364.db2.gz ZGPJLRYSNCZWMW-LPEHRKFASA-N 0 3 191.278 1.926 20 0 ADADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccncn1 306764655 409591606 /nfs/dbraw/zinc/59/16/06/409591606.db2.gz ZGPJLRYSNCZWMW-GUBZILKMSA-N 0 3 191.278 1.926 20 0 ADADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccncn1 306764671 409591740 /nfs/dbraw/zinc/59/17/40/409591740.db2.gz ZGPJLRYSNCZWMW-UTLUCORTSA-N 0 3 191.278 1.926 20 0 ADADHN CN(C1CC(O)C1)[C@@H]1COC(C)(C)C1 660277789 409592411 /nfs/dbraw/zinc/59/24/11/409592411.db2.gz JAFSITHKPNTZCQ-KYHHOPLUSA-N 0 3 199.294 1.009 20 0 ADADHN CN(C1CC(O)C1)[C@H]1COC(C)(C)C1 660277788 409592841 /nfs/dbraw/zinc/59/28/41/409592841.db2.gz JAFSITHKPNTZCQ-HWOCKDDLSA-N 0 3 199.294 1.009 20 0 ADADHN NC(=O)C1(NCCCC2CCC2)CC1 660223880 409592894 /nfs/dbraw/zinc/59/28/94/409592894.db2.gz HIVBEAINQFZGIQ-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN C[C@H](N)C(=O)N1C[C@H](C)CCC[C@@H]1C 306804122 409593362 /nfs/dbraw/zinc/59/33/62/409593362.db2.gz XAGHZOHDRUBVEC-UTLUCORTSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H](N)C(=O)N1C[C@H](C)CCC[C@H]1C 306804121 409594775 /nfs/dbraw/zinc/59/47/75/409594775.db2.gz XAGHZOHDRUBVEC-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN CCN(CCC=C(C)C)CC(N)=O 660391783 409596642 /nfs/dbraw/zinc/59/66/42/409596642.db2.gz BMCSCOQSHYGQJT-UHFFFAOYSA-N 0 3 184.283 1.150 20 0 ADADHN CCN(CCCC1CCC1)CC(N)=O 660393174 409597564 /nfs/dbraw/zinc/59/75/64/409597564.db2.gz MDEDJVMUMZUOLX-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN C[C@@H]1COCCN1CC1CC=CC1 660423771 409601004 /nfs/dbraw/zinc/60/10/04/409601004.db2.gz WAVMZPBXFHWUNJ-SNVBAGLBSA-N 0 3 181.279 1.673 20 0 ADADHN C[C@@H]1COCCN1CCC1CCC1 660422723 409602484 /nfs/dbraw/zinc/60/24/84/409602484.db2.gz HIQQSJXOHLWWPL-SNVBAGLBSA-N 0 3 183.295 1.897 20 0 ADADHN Cc1ccncc1CNC1CSC1 306940361 409603114 /nfs/dbraw/zinc/60/31/14/409603114.db2.gz BVQBFSSXIYHPDK-UHFFFAOYSA-N 0 3 194.303 1.595 20 0 ADADHN OC[C@@]1(F)CCN(CC2CC=CC2)C1 660490265 409604153 /nfs/dbraw/zinc/60/41/53/409604153.db2.gz ZPBHDGDAJXPMQP-LLVKDONJSA-N 0 3 199.269 1.359 20 0 ADADHN c1ncn2c1CN(CCC1CC1)CC2 660579569 409605039 /nfs/dbraw/zinc/60/50/39/409605039.db2.gz YANBGBKLIUFJPU-UHFFFAOYSA-N 0 3 191.278 1.499 20 0 ADADHN CC[C@@H](C)N1CCn2cncc2C1 660581807 409605095 /nfs/dbraw/zinc/60/50/95/409605095.db2.gz JZHMDVCQSYTQHI-SECBINFHSA-N 0 3 179.267 1.497 20 0 ADADHN CN(Cc1ccsc1)C1(CO)CC1 660544556 409605245 /nfs/dbraw/zinc/60/52/45/409605245.db2.gz TUSMVRCEJQBHLR-UHFFFAOYSA-N 0 3 197.303 1.705 20 0 ADADHN CC[C@H](C)N1CCn2cncc2C1 660581808 409605360 /nfs/dbraw/zinc/60/53/60/409605360.db2.gz JZHMDVCQSYTQHI-VIFPVBQESA-N 0 3 179.267 1.497 20 0 ADADHN C1=CCC(CN2CCOCC23CC3)C1 660490032 409605486 /nfs/dbraw/zinc/60/54/86/409605486.db2.gz VBCJEJSUDWDRIP-UHFFFAOYSA-N 0 3 193.290 1.817 20 0 ADADHN c1ncn2c1CN(CC1CCC1)CC2 660576634 409605548 /nfs/dbraw/zinc/60/55/48/409605548.db2.gz BGDHLBNRUVKAEE-UHFFFAOYSA-N 0 3 191.278 1.499 20 0 ADADHN OC[C@]1(F)CCN(CC2CC=CC2)C1 660490266 409605698 /nfs/dbraw/zinc/60/56/98/409605698.db2.gz ZPBHDGDAJXPMQP-NSHDSACASA-N 0 3 199.269 1.359 20 0 ADADHN CCCN(CCC1CCC1)CC(N)=O 660618217 409607696 /nfs/dbraw/zinc/60/76/96/409607696.db2.gz PUKHXUNWVKRRQL-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CC[C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C 307041276 409608028 /nfs/dbraw/zinc/60/80/28/409608028.db2.gz KRHCEJKTEXSGBL-GUBZILKMSA-N 0 3 198.310 1.241 20 0 ADADHN COC[C@H]1CCN1[C@@H]1COC(C)(C)C1 660628646 409608335 /nfs/dbraw/zinc/60/83/35/409608335.db2.gz BOAUOHMNRUHPLC-ZJUUUORDSA-N 0 3 199.294 1.275 20 0 ADADHN CCCN(CC(N)=O)CC1CC=CC1 660619299 409608416 /nfs/dbraw/zinc/60/84/16/409608416.db2.gz WPWYLTNQNJOJPC-UHFFFAOYSA-N 0 3 196.294 1.150 20 0 ADADHN CC[C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C 307041278 409608964 /nfs/dbraw/zinc/60/89/64/409608964.db2.gz KRHCEJKTEXSGBL-LPEHRKFASA-N 0 3 198.310 1.241 20 0 ADADHN COC[C@@H]1CCN1[C@H]1COC(C)(C)C1 660628645 409609771 /nfs/dbraw/zinc/60/97/71/409609771.db2.gz BOAUOHMNRUHPLC-VHSXEESVSA-N 0 3 199.294 1.275 20 0 ADADHN CC[C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C 307041275 409610083 /nfs/dbraw/zinc/61/00/83/409610083.db2.gz KRHCEJKTEXSGBL-AEJSXWLSSA-N 0 3 198.310 1.241 20 0 ADADHN COC[C@@H]1CCN1[C@@H]1COC(C)(C)C1 660628644 409610283 /nfs/dbraw/zinc/61/02/83/409610283.db2.gz BOAUOHMNRUHPLC-UWVGGRQHSA-N 0 3 199.294 1.275 20 0 ADADHN CC[C@H](C)C(=O)N1CCN[C@H](C)[C@H]1C 307041277 409610177 /nfs/dbraw/zinc/61/01/77/409610177.db2.gz KRHCEJKTEXSGBL-IVZWLZJFSA-N 0 3 198.310 1.241 20 0 ADADHN CCCN(CCC=C(C)C)CC(N)=O 660616345 409610438 /nfs/dbraw/zinc/61/04/38/409610438.db2.gz CGGZQBZXHFFMDP-UHFFFAOYSA-N 0 3 198.310 1.540 20 0 ADADHN COC[C@H]1CCN1[C@H]1COC(C)(C)C1 660628643 409610473 /nfs/dbraw/zinc/61/04/73/409610473.db2.gz BOAUOHMNRUHPLC-NXEZZACHSA-N 0 3 199.294 1.275 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1CC[C@@H](C)[C@H]1C 307080850 409613884 /nfs/dbraw/zinc/61/38/84/409613884.db2.gz OQYJKPKPZLEAQF-OPRDCNLKSA-N 0 3 198.310 1.227 20 0 ADADHN C1=CCC(CN(C2CC2)C2COC2)C1 660647931 409612374 /nfs/dbraw/zinc/61/23/74/409612374.db2.gz PNJPGXPJKOQIFA-UHFFFAOYSA-N 0 3 193.290 1.816 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1CC[C@H](C)[C@@H]1C 307080845 409612407 /nfs/dbraw/zinc/61/24/07/409612407.db2.gz OQYJKPKPZLEAQF-LPEHRKFASA-N 0 3 198.310 1.227 20 0 ADADHN CN(CCC1CCC1)C(C)(C)C(N)=O 660648629 409613124 /nfs/dbraw/zinc/61/31/24/409613124.db2.gz UOQPRDLBBZNDMS-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN C[C@H]1COCCN1CC1CC=CC1 660648940 409612875 /nfs/dbraw/zinc/61/28/75/409612875.db2.gz WAVMZPBXFHWUNJ-JTQLQIEISA-N 0 3 181.279 1.673 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C 307080840 409613736 /nfs/dbraw/zinc/61/37/36/409613736.db2.gz OQYJKPKPZLEAQF-KXUCPTDWSA-N 0 3 198.310 1.227 20 0 ADADHN C[C@H]1COCCN1CCC1CCC1 660647741 409613785 /nfs/dbraw/zinc/61/37/85/409613785.db2.gz HIQQSJXOHLWWPL-JTQLQIEISA-N 0 3 183.295 1.897 20 0 ADADHN CC(C)=CCCN(C)C(C)(C)C(N)=O 660648257 409613801 /nfs/dbraw/zinc/61/38/01/409613801.db2.gz OUMMVVWYTRUQOS-UHFFFAOYSA-N 0 3 198.310 1.538 20 0 ADADHN CC(C)[C@@H](N)C(=O)N1CC[C@H](C)[C@H]1C 307080833 409614125 /nfs/dbraw/zinc/61/41/25/409614125.db2.gz OQYJKPKPZLEAQF-IVZWLZJFSA-N 0 3 198.310 1.227 20 0 ADADHN NC(=O)[C@H]1CCCN1CCC1CCC1 660741495 409616126 /nfs/dbraw/zinc/61/61/26/409616126.db2.gz SISDDDBSCSRXBD-SNVBAGLBSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@@H](NC1CC=CC1)c1ccncn1 307111638 409616991 /nfs/dbraw/zinc/61/69/91/409616991.db2.gz NSMDJLABNWXQQG-SECBINFHSA-N 0 3 189.262 1.846 20 0 ADADHN C[C@H](NC1CC=CC1)c1ccncn1 307111639 409617172 /nfs/dbraw/zinc/61/71/72/409617172.db2.gz NSMDJLABNWXQQG-VIFPVBQESA-N 0 3 189.262 1.846 20 0 ADADHN CC(C)=CCCN1CCC[C@@H]1C(N)=O 660740381 409618205 /nfs/dbraw/zinc/61/82/05/409618205.db2.gz QAUZENLSFVNGBC-SNVBAGLBSA-N 0 3 196.294 1.292 20 0 ADADHN CC(=O)NCCN(C)CCC=C(C)C 660899625 409620325 /nfs/dbraw/zinc/62/03/25/409620325.db2.gz BNINPMCNJGZAGM-UHFFFAOYSA-N 0 3 198.310 1.411 20 0 ADADHN C[C@H]1CN(CC2(C)CC2)CCO1 307134412 409620649 /nfs/dbraw/zinc/62/06/49/409620649.db2.gz OFUYMAWLNBYWHO-VIFPVBQESA-N 0 3 169.268 1.507 20 0 ADADHN Cc1nn(C)cc1CN(C)C(C)C 307136271 409621527 /nfs/dbraw/zinc/62/15/27/409621527.db2.gz UCMDGLWMYVKIRQ-UHFFFAOYSA-N 0 3 181.283 1.569 20 0 ADADHN C[C@@H]1CN(CC2(C)CC2)CCO1 307134411 409621893 /nfs/dbraw/zinc/62/18/93/409621893.db2.gz OFUYMAWLNBYWHO-SECBINFHSA-N 0 3 169.268 1.507 20 0 ADADHN CC(=O)NCCN(C)CCC1CCC1 660904575 409622261 /nfs/dbraw/zinc/62/22/61/409622261.db2.gz SPXNQOGIAAMBPU-UHFFFAOYSA-N 0 3 198.310 1.245 20 0 ADADHN c1ncc(CN2C[C@@H]3CCCC[C@@H]32)[nH]1 660930095 409623954 /nfs/dbraw/zinc/62/39/54/409623954.db2.gz FYRAPBCAGCTCIB-ONGXEEELSA-N 0 3 191.278 1.784 20 0 ADADHN CC[C@H](C(N)=O)N1C[C@@H]2CCCC[C@@H]21 660928987 409624975 /nfs/dbraw/zinc/62/49/75/409624975.db2.gz BOYBLVBYXXINSN-AEJSXWLSSA-N 0 3 196.294 1.125 20 0 ADADHN CN(Cc1cnc[nH]1)[C@H]1C=CCCC1 661084242 409625081 /nfs/dbraw/zinc/62/50/81/409625081.db2.gz DCRZPBPTCAZCSA-NSHDSACASA-N 0 3 191.278 1.950 20 0 ADADHN c1n[nH]cc1CN1C[C@@H]2CCCC[C@@H]21 660932140 409625595 /nfs/dbraw/zinc/62/55/95/409625595.db2.gz UJSDXYCHCVJRSU-QWRGUYRKSA-N 0 3 191.278 1.784 20 0 ADADHN CC[C@@H](C(N)=O)N1C[C@@H]2CCCC[C@@H]21 660928989 409625901 /nfs/dbraw/zinc/62/59/01/409625901.db2.gz BOYBLVBYXXINSN-GUBZILKMSA-N 0 3 196.294 1.125 20 0 ADADHN CN(Cc1cnc[nH]1)[C@@H]1C=CCCC1 661084241 409626110 /nfs/dbraw/zinc/62/61/10/409626110.db2.gz DCRZPBPTCAZCSA-LLVKDONJSA-N 0 3 191.278 1.950 20 0 ADADHN C[C@@H](O)CCCN(C)Cc1cnc[nH]1 661088519 409628179 /nfs/dbraw/zinc/62/81/79/409628179.db2.gz KTUOOKZEKHZVHX-SECBINFHSA-N 0 3 197.282 1.003 20 0 ADADHN CN(CCC(C)(C)O)Cc1cnc[nH]1 661085702 409628242 /nfs/dbraw/zinc/62/82/42/409628242.db2.gz PVDDRTJRMJEGIU-UHFFFAOYSA-N 0 3 197.282 1.003 20 0 ADADHN COCCCCN(C)Cc1cnc[nH]1 661086214 409628525 /nfs/dbraw/zinc/62/85/25/409628525.db2.gz VEATWCCTDYGGKY-UHFFFAOYSA-N 0 3 197.282 1.268 20 0 ADADHN CC(C)(C)CNC(=O)[C@H]1NCC1(C)C 307256133 409628964 /nfs/dbraw/zinc/62/89/64/409628964.db2.gz BRGKAUJSJWXTIA-MRVPVSSYSA-N 0 3 198.310 1.147 20 0 ADADHN CCOCCCN(C)Cc1cnc[nH]1 661086095 409629078 /nfs/dbraw/zinc/62/90/78/409629078.db2.gz UUDKPRURJXXUOE-UHFFFAOYSA-N 0 3 197.282 1.268 20 0 ADADHN COCC[C@@H](C)N(C)Cc1cnc[nH]1 661085405 409629140 /nfs/dbraw/zinc/62/91/40/409629140.db2.gz LYXYMXUQQISGQI-SECBINFHSA-N 0 3 197.282 1.267 20 0 ADADHN C[C@H](O)CCCN(C)Cc1cnc[nH]1 661088520 409629378 /nfs/dbraw/zinc/62/93/78/409629378.db2.gz KTUOOKZEKHZVHX-VIFPVBQESA-N 0 3 197.282 1.003 20 0 ADADHN CN(CCCCCF)Cc1cnc[nH]1 661091408 409629462 /nfs/dbraw/zinc/62/94/62/409629462.db2.gz YAZTUGAAULXWDV-UHFFFAOYSA-N 0 3 199.273 1.981 20 0 ADADHN CN(Cc1c[nH]cn1)CC1CC=CC1 661092408 409629544 /nfs/dbraw/zinc/62/95/44/409629544.db2.gz HUSJDSHRVXSGGK-UHFFFAOYSA-N 0 3 191.278 1.808 20 0 ADADHN CN(Cc1cnc[nH]1)CC1CC=CC1 661092408 409629552 /nfs/dbraw/zinc/62/95/52/409629552.db2.gz HUSJDSHRVXSGGK-UHFFFAOYSA-N 0 3 191.278 1.808 20 0 ADADHN CC[C@@H](C)N(CC)Cc1n[nH]c(C)n1 661104526 409630191 /nfs/dbraw/zinc/63/01/91/409630191.db2.gz PKYXWPGFJJPDTM-MRVPVSSYSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@H](C)N(CC)CC(=O)NC1CC1 661104706 409630408 /nfs/dbraw/zinc/63/04/08/409630408.db2.gz ANZBHHIAYBMTGY-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN CN(CC1=CCCC1)Cc1cnc[nH]1 661094400 409630523 /nfs/dbraw/zinc/63/05/23/409630523.db2.gz VTBXDXCDXYSAGV-UHFFFAOYSA-N 0 3 191.278 1.952 20 0 ADADHN CC[C@H](C)N(CC)Cc1cnnn1C 661104892 409630542 /nfs/dbraw/zinc/63/05/42/409630542.db2.gz UIZTTXKFJQCSQA-VIFPVBQESA-N 0 3 196.298 1.436 20 0 ADADHN CC[C@H](CN(C)Cc1cnc[nH]1)OC 661093538 409630701 /nfs/dbraw/zinc/63/07/01/409630701.db2.gz QRILYFNJRUVHBC-SNVBAGLBSA-N 0 3 197.282 1.267 20 0 ADADHN COCC[C@H](C)N(C)Cc1cnc[nH]1 661085406 409630798 /nfs/dbraw/zinc/63/07/98/409630798.db2.gz LYXYMXUQQISGQI-VIFPVBQESA-N 0 3 197.282 1.267 20 0 ADADHN C[C@H]1CCC[C@H](C)N(C(=O)[C@H](C)N)C1 307264090 409630829 /nfs/dbraw/zinc/63/08/29/409630829.db2.gz XAGHZOHDRUBVEC-GUBZILKMSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](C)N(CC)Cc1n[nH]c(C)n1 661104527 409630893 /nfs/dbraw/zinc/63/08/93/409630893.db2.gz PKYXWPGFJJPDTM-QMMMGPOBSA-N 0 3 196.298 1.734 20 0 ADADHN CC[C@@H](C)N(CC)CC(=O)NC1CC1 661104704 409630984 /nfs/dbraw/zinc/63/09/84/409630984.db2.gz ANZBHHIAYBMTGY-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H]1CCC[C@@H](C)N(C(=O)[C@H](C)N)C1 307264089 409631019 /nfs/dbraw/zinc/63/10/19/409631019.db2.gz XAGHZOHDRUBVEC-AEJSXWLSSA-N 0 3 198.310 1.371 20 0 ADADHN CCC[C@@H](O)CN(C)Cc1cnc[nH]1 661091168 409631114 /nfs/dbraw/zinc/63/11/14/409631114.db2.gz WHIFEKINLFOGIV-SNVBAGLBSA-N 0 3 197.282 1.003 20 0 ADADHN CC(C)(C)CNC(=O)[C@@H]1NCC1(C)C 307256134 409631139 /nfs/dbraw/zinc/63/11/39/409631139.db2.gz BRGKAUJSJWXTIA-QMMMGPOBSA-N 0 3 198.310 1.147 20 0 ADADHN CN(CCCCF)Cc1cnc[nH]1 661090447 409631174 /nfs/dbraw/zinc/63/11/74/409631174.db2.gz PLLAMAIXFZQVAG-UHFFFAOYSA-N 0 3 185.246 1.591 20 0 ADADHN CC[C@@H](C)N(CC)Cc1cnnn1C 661104890 409631271 /nfs/dbraw/zinc/63/12/71/409631271.db2.gz UIZTTXKFJQCSQA-SECBINFHSA-N 0 3 196.298 1.436 20 0 ADADHN CC[C@@H](CN(C)Cc1cnc[nH]1)OC 661093537 409631431 /nfs/dbraw/zinc/63/14/31/409631431.db2.gz QRILYFNJRUVHBC-JTQLQIEISA-N 0 3 197.282 1.267 20 0 ADADHN CCC[C@H](O)CN(C)Cc1cnc[nH]1 661091165 409631534 /nfs/dbraw/zinc/63/15/34/409631534.db2.gz WHIFEKINLFOGIV-JTQLQIEISA-N 0 3 197.282 1.003 20 0 ADADHN CC[C@H](C)N(CC)CC(=O)N1CCC1 661106697 409634201 /nfs/dbraw/zinc/63/42/01/409634201.db2.gz NNSSQENBQHQEMS-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@@H](C)N(CC)CC(=O)N1CCC1 661106698 409634312 /nfs/dbraw/zinc/63/43/12/409634312.db2.gz NNSSQENBQHQEMS-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN 307399383 409641237 /nfs/dbraw/zinc/64/12/37/409641237.db2.gz WJHNHUHLOOLTNJ-UTLUCORTSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN 307399381 409641478 /nfs/dbraw/zinc/64/14/78/409641478.db2.gz WJHNHUHLOOLTNJ-KXUCPTDWSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN 307399382 409642409 /nfs/dbraw/zinc/64/24/09/409642409.db2.gz WJHNHUHLOOLTNJ-OPRDCNLKSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN 307399380 409642706 /nfs/dbraw/zinc/64/27/06/409642706.db2.gz WJHNHUHLOOLTNJ-BBBLOLIVSA-N 0 3 196.294 1.125 20 0 ADADHN C[C@@H]1CN(C[C@H]2C[C@H]2C)CCO1 307414347 409643786 /nfs/dbraw/zinc/64/37/86/409643786.db2.gz TVGUQGRLQSWMOG-OPRDCNLKSA-N 0 3 169.268 1.363 20 0 ADADHN CCC(C)(C)NC(=O)[C@@H]1NCC1(C)C 307428451 409643892 /nfs/dbraw/zinc/64/38/92/409643892.db2.gz AKGGLHSFUGBVRD-QMMMGPOBSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H]1C[C@H]1CN1CCO[C@H](C)C1 307414344 409644814 /nfs/dbraw/zinc/64/48/14/409644814.db2.gz TVGUQGRLQSWMOG-AEJSXWLSSA-N 0 3 169.268 1.363 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCO[C@H](C)C1 307414346 409644952 /nfs/dbraw/zinc/64/49/52/409644952.db2.gz TVGUQGRLQSWMOG-IVZWLZJFSA-N 0 3 169.268 1.363 20 0 ADADHN C[C@@H]1CN(C[C@@H]2C[C@H]2C)CCO1 307414345 409645042 /nfs/dbraw/zinc/64/50/42/409645042.db2.gz TVGUQGRLQSWMOG-BBBLOLIVSA-N 0 3 169.268 1.363 20 0 ADADHN CCC(C)(C)NC(=O)[C@H]1NCC1(C)C 307428444 409646230 /nfs/dbraw/zinc/64/62/30/409646230.db2.gz AKGGLHSFUGBVRD-MRVPVSSYSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@H](O)CN(C)CC1=CCCOC1 661652421 409649331 /nfs/dbraw/zinc/64/93/31/409649331.db2.gz LOZZIULYLPXODG-NSHDSACASA-N 0 3 199.294 1.036 20 0 ADADHN CCC1(CC)CCCN(CC(N)=O)C1 661675391 409650031 /nfs/dbraw/zinc/65/00/31/409650031.db2.gz VPXAMSLXLWEBHA-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CC(C)=CCN(C)C[C@H]1COCCO1 661608837 409651061 /nfs/dbraw/zinc/65/10/61/409651061.db2.gz XPNUGAQOQYBNRZ-NSHDSACASA-N 0 3 199.294 1.300 20 0 ADADHN CC[C@@H](O)CN(C)CC1=CCCOC1 661652419 409651644 /nfs/dbraw/zinc/65/16/44/409651644.db2.gz LOZZIULYLPXODG-LLVKDONJSA-N 0 3 199.294 1.036 20 0 ADADHN CC[C@@H](N)C(=O)N1CCC2(CCC2)C1 307511457 409651711 /nfs/dbraw/zinc/65/17/11/409651711.db2.gz PAXURNNGONDKGM-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN CC1(C)CN[C@@H]1C(=O)NC1CCCC1 307519780 409651811 /nfs/dbraw/zinc/65/18/11/409651811.db2.gz WSIJJLKUYRKZAX-SECBINFHSA-N 0 3 196.294 1.043 20 0 ADADHN CC(C)=CCN(C)C[C@@H]1COCCO1 661608835 409651827 /nfs/dbraw/zinc/65/18/27/409651827.db2.gz XPNUGAQOQYBNRZ-LLVKDONJSA-N 0 3 199.294 1.300 20 0 ADADHN CC1(C)CN[C@H]1C(=O)NC1CCCC1 307519781 409651950 /nfs/dbraw/zinc/65/19/50/409651950.db2.gz WSIJJLKUYRKZAX-VIFPVBQESA-N 0 3 196.294 1.043 20 0 ADADHN C[C@@H](O)[C@H]1CCCN1Cc1ccno1 661768817 409662298 /nfs/dbraw/zinc/66/22/98/409662298.db2.gz YRTHXERZOHSGIC-PSASIEDQSA-N 0 3 196.250 1.020 20 0 ADADHN CC(C)=CCN1CCC(=O)N(C)CC1 661806113 409662689 /nfs/dbraw/zinc/66/26/89/409662689.db2.gz XTWJVIHAIHALOQ-UHFFFAOYSA-N 0 3 196.294 1.117 20 0 ADADHN C[C@H](O)[C@H]1CCCN1Cc1ccno1 661768819 409663310 /nfs/dbraw/zinc/66/33/10/409663310.db2.gz YRTHXERZOHSGIC-WCBMZHEXSA-N 0 3 196.250 1.020 20 0 ADADHN Cc1sccc1CNCCO 307666072 409665061 /nfs/dbraw/zinc/66/50/61/409665061.db2.gz CNGYEGYPOWFNPE-UHFFFAOYSA-N 0 3 171.265 1.138 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@@H](C)CC[C@@H]1C 307708342 409668249 /nfs/dbraw/zinc/66/82/49/409668249.db2.gz IXOKJAYUUYPNRE-XHNCKOQMSA-N 0 3 184.283 1.123 20 0 ADADHN CC[C@@H](N)C(=O)N1[C@H](C)CC[C@H]1C 307708341 409668269 /nfs/dbraw/zinc/66/82/69/409668269.db2.gz IXOKJAYUUYPNRE-IWSPIJDZSA-N 0 3 184.283 1.123 20 0 ADADHN Cn1ccc(CN2CC[C@H]3C[C@H]3C2)n1 661966555 409669103 /nfs/dbraw/zinc/66/91/03/409669103.db2.gz JONSKGIJTLPPKG-UWVGGRQHSA-N 0 3 191.278 1.262 20 0 ADADHN c1n[nH]cc1CN1CC[C@@H]2C[C@@H]2C1 661966096 409669337 /nfs/dbraw/zinc/66/93/37/409669337.db2.gz FBNBXLVHMZSJDI-NXEZZACHSA-N 0 3 177.251 1.252 20 0 ADADHN CCCNCc1cc(C)ns1 307736114 409669350 /nfs/dbraw/zinc/66/93/50/409669350.db2.gz ZEOMSWNHDWVWQE-UHFFFAOYSA-N 0 3 170.281 1.951 20 0 ADADHN CCN1CCC2(CCCC2=O)CC1 661955133 409669458 /nfs/dbraw/zinc/66/94/58/409669458.db2.gz UHNIJOQFYMRSGE-UHFFFAOYSA-N 0 3 181.279 1.842 20 0 ADADHN c1n[nH]cc1CN1CC[C@H]2C[C@H]2C1 661966097 409670207 /nfs/dbraw/zinc/67/02/07/409670207.db2.gz FBNBXLVHMZSJDI-UWVGGRQHSA-N 0 3 177.251 1.252 20 0 ADADHN Cn1ccc(CN2CC[C@@H]3C[C@@H]3C2)n1 661966554 409670411 /nfs/dbraw/zinc/67/04/11/409670411.db2.gz JONSKGIJTLPPKG-NXEZZACHSA-N 0 3 191.278 1.262 20 0 ADADHN FC(F)CN1CC[C@@H]2C[C@@H]2C1 661966383 409670809 /nfs/dbraw/zinc/67/08/09/409670809.db2.gz HFBKIKJFEZAYDW-RNFRBKRXSA-N 0 3 161.195 1.593 20 0 ADADHN FC(F)CN1CC[C@H]2C[C@H]2C1 661966381 409670844 /nfs/dbraw/zinc/67/08/44/409670844.db2.gz HFBKIKJFEZAYDW-BQBZGAKWSA-N 0 3 161.195 1.593 20 0 ADADHN Cc1cnc(NC[C@H](C)N(C)C)s1 307744488 409670892 /nfs/dbraw/zinc/67/08/92/409670892.db2.gz OVKSXMUKTZEYQN-ZETCQYMHSA-N 0 3 199.323 1.814 20 0 ADADHN c1cc(CN2CC[C@@H]3C[C@@H]3C2)n[nH]1 661967577 409672025 /nfs/dbraw/zinc/67/20/25/409672025.db2.gz QFHHSLOORVXKDU-RKDXNWHRSA-N 0 3 177.251 1.252 20 0 ADADHN Cc1cc(CN2CC[C@H]3C[C@H]3C2)on1 661966680 409672173 /nfs/dbraw/zinc/67/21/73/409672173.db2.gz LNPSBCOADDHMDV-UWVGGRQHSA-N 0 3 192.262 1.825 20 0 ADADHN CCOC[C@@H](C)N[C@@H](C)CF 307905434 409672309 /nfs/dbraw/zinc/67/23/09/409672309.db2.gz RFVKQQVKXQYKJE-JGVFFNPUSA-N 0 3 163.236 1.359 20 0 ADADHN Cn1ccnc1CN1CC[C@H]2C[C@H]2C1 661967051 409672488 /nfs/dbraw/zinc/67/24/88/409672488.db2.gz NOZOXZHMTJAVQM-UWVGGRQHSA-N 0 3 191.278 1.262 20 0 ADADHN Cn1nccc1CN1CC[C@@H]2C[C@@H]2C1 661967097 409672571 /nfs/dbraw/zinc/67/25/71/409672571.db2.gz BHFXPNFZTDUFPE-NXEZZACHSA-N 0 3 191.278 1.262 20 0 ADADHN CCc1cc(N(C)[C@H](C)CO)ccn1 307779562 409672572 /nfs/dbraw/zinc/67/25/72/409672572.db2.gz KILWLDBRSCAVCX-SECBINFHSA-N 0 3 194.278 1.461 20 0 ADADHN c1cc(CN2CC[C@@H]3C[C@@H]3C2)on1 661966793 409672763 /nfs/dbraw/zinc/67/27/63/409672763.db2.gz AGEJRGXCYXGDQW-RKDXNWHRSA-N 0 3 178.235 1.516 20 0 ADADHN CCc1cc(N(C)C[C@H](C)O)ccn1 307768932 409672823 /nfs/dbraw/zinc/67/28/23/409672823.db2.gz AKGRHKGACJENFC-VIFPVBQESA-N 0 3 194.278 1.461 20 0 ADADHN c1cc(CN2CC[C@H]3C[C@H]3C2)on1 661966791 409672880 /nfs/dbraw/zinc/67/28/80/409672880.db2.gz AGEJRGXCYXGDQW-IUCAKERBSA-N 0 3 178.235 1.516 20 0 ADADHN Cn1nccc1CN1CC[C@H]2C[C@H]2C1 661967098 409673239 /nfs/dbraw/zinc/67/32/39/409673239.db2.gz BHFXPNFZTDUFPE-UWVGGRQHSA-N 0 3 191.278 1.262 20 0 ADADHN Cn1ccnc1CN1CC[C@@H]2C[C@@H]2C1 661967050 409673528 /nfs/dbraw/zinc/67/35/28/409673528.db2.gz NOZOXZHMTJAVQM-NXEZZACHSA-N 0 3 191.278 1.262 20 0 ADADHN CCOC[C@H](C)N[C@@H](C)CF 307905437 409673651 /nfs/dbraw/zinc/67/36/51/409673651.db2.gz RFVKQQVKXQYKJE-YUMQZZPRSA-N 0 3 163.236 1.359 20 0 ADADHN Cc1cc(CN2CC[C@@H]3C[C@@H]3C2)on1 661966679 409673664 /nfs/dbraw/zinc/67/36/64/409673664.db2.gz LNPSBCOADDHMDV-NXEZZACHSA-N 0 3 192.262 1.825 20 0 ADADHN CNCC(=O)N1CC[C@@H](CC(C)C)C1 307848534 409673688 /nfs/dbraw/zinc/67/36/88/409673688.db2.gz YOMUAGLUHWKAQI-JTQLQIEISA-N 0 3 198.310 1.100 20 0 ADADHN c1cc(CN2CC[C@H]3C[C@H]3C2)n[nH]1 661967570 409673875 /nfs/dbraw/zinc/67/38/75/409673875.db2.gz QFHHSLOORVXKDU-IUCAKERBSA-N 0 3 177.251 1.252 20 0 ADADHN CCc1cc(N(CC)CCO)ccn1 307773905 409673985 /nfs/dbraw/zinc/67/39/85/409673985.db2.gz GDCWNVJUWXOEBD-UHFFFAOYSA-N 0 3 194.278 1.463 20 0 ADADHN CCc1cc(N(C)CCO)ccn1 307780862 409674485 /nfs/dbraw/zinc/67/44/85/409674485.db2.gz LENRJAOJAAYNOE-UHFFFAOYSA-N 0 3 180.251 1.073 20 0 ADADHN CCc1cc(N(C)C[C@@H](C)O)ccn1 307768930 409674632 /nfs/dbraw/zinc/67/46/32/409674632.db2.gz AKGRHKGACJENFC-SECBINFHSA-N 0 3 194.278 1.461 20 0 ADADHN CNCC(=O)N1CC[C@H](CC(C)C)C1 307848535 409674664 /nfs/dbraw/zinc/67/46/64/409674664.db2.gz YOMUAGLUHWKAQI-SNVBAGLBSA-N 0 3 198.310 1.100 20 0 ADADHN c1cc(CN2CC[C@H]3C[C@H]3C2)ccn1 661969354 409675361 /nfs/dbraw/zinc/67/53/61/409675361.db2.gz CEUAPZDGVWOEOT-RYUDHWBXSA-N 0 3 188.274 1.923 20 0 ADADHN CC(C)CC1(N[C@@H](C)C(N)=O)CC1 662072068 409685952 /nfs/dbraw/zinc/68/59/52/409685952.db2.gz OWAXVFWYMSRKMZ-QMMMGPOBSA-N 0 3 184.283 1.029 20 0 ADADHN c1cc(CN2CC[C@@H]3C[C@@H]3C2)ccn1 661969355 409676228 /nfs/dbraw/zinc/67/62/28/409676228.db2.gz CEUAPZDGVWOEOT-VXGBXAGGSA-N 0 3 188.274 1.923 20 0 ADADHN Cn1cncc1CN1CC[C@@H]2C[C@@H]2C1 661976804 409677842 /nfs/dbraw/zinc/67/78/42/409677842.db2.gz VARJBLCWHFPFII-NXEZZACHSA-N 0 3 191.278 1.262 20 0 ADADHN c1nc(CN2CC[C@@H]3C[C@@H]3C2)c[nH]1 661972871 409678173 /nfs/dbraw/zinc/67/81/73/409678173.db2.gz QUNVRFVZOGJDAM-RKDXNWHRSA-N 0 3 177.251 1.252 20 0 ADADHN c1nc(CN2CC[C@H]3C[C@H]3C2)c[nH]1 661972870 409678285 /nfs/dbraw/zinc/67/82/85/409678285.db2.gz QUNVRFVZOGJDAM-IUCAKERBSA-N 0 3 177.251 1.252 20 0 ADADHN Cn1cc(CN2CC[C@@H]3C[C@@H]3C2)cn1 661977176 409678375 /nfs/dbraw/zinc/67/83/75/409678375.db2.gz WLANNJLPKDIGEN-GHMZBOCLSA-N 0 3 191.278 1.262 20 0 ADADHN Cn1cncc1CN1CC[C@H]2C[C@H]2C1 661976805 409678416 /nfs/dbraw/zinc/67/84/16/409678416.db2.gz VARJBLCWHFPFII-UWVGGRQHSA-N 0 3 191.278 1.262 20 0 ADADHN c1c[nH]c(CN2CC[C@H]3C[C@H]3C2)n1 661975660 409678670 /nfs/dbraw/zinc/67/86/70/409678670.db2.gz QXXQOWGKBKPMJZ-IUCAKERBSA-N 0 3 177.251 1.252 20 0 ADADHN Cn1cc(CN2CC[C@H]3C[C@H]3C2)cn1 661977178 409678827 /nfs/dbraw/zinc/67/88/27/409678827.db2.gz WLANNJLPKDIGEN-QWRGUYRKSA-N 0 3 191.278 1.262 20 0 ADADHN c1cncc(CN2CC[C@@H]3C[C@@H]3C2)c1 661976550 409678936 /nfs/dbraw/zinc/67/89/36/409678936.db2.gz UFJJEKCBENPXMO-VXGBXAGGSA-N 0 3 188.274 1.923 20 0 ADADHN c1c[nH]c(CN2CC[C@@H]3C[C@@H]3C2)n1 661975661 409679019 /nfs/dbraw/zinc/67/90/19/409679019.db2.gz QXXQOWGKBKPMJZ-RKDXNWHRSA-N 0 3 177.251 1.252 20 0 ADADHN c1ccc(CN2CC[C@@H]3C[C@@H]3C2)nc1 661976074 409679216 /nfs/dbraw/zinc/67/92/16/409679216.db2.gz RDHSNLPUXFMDHD-GHMZBOCLSA-N 0 3 188.274 1.923 20 0 ADADHN c1cncc(CN2CC[C@H]3C[C@H]3C2)c1 661976549 409679242 /nfs/dbraw/zinc/67/92/42/409679242.db2.gz UFJJEKCBENPXMO-RYUDHWBXSA-N 0 3 188.274 1.923 20 0 ADADHN CCN1CCOC(C2CC2)(C2CC2)C1 661997044 409679431 /nfs/dbraw/zinc/67/94/31/409679431.db2.gz NBUUTHQHGMNTCM-UHFFFAOYSA-N 0 3 195.306 1.897 20 0 ADADHN c1ccc(CN2CC[C@H]3C[C@H]3C2)nc1 661976081 409679473 /nfs/dbraw/zinc/67/94/73/409679473.db2.gz RDHSNLPUXFMDHD-QWRGUYRKSA-N 0 3 188.274 1.923 20 0 ADADHN C[C@@H](CF)NCC1=CCCOC1 308064756 409680754 /nfs/dbraw/zinc/68/07/54/409680754.db2.gz XZYBIRLESDDYNC-QMMMGPOBSA-N 0 3 173.231 1.281 20 0 ADADHN FC(F)CN1CC[C@H]2COC[C@@H]2C1 662036933 409680990 /nfs/dbraw/zinc/68/09/90/409680990.db2.gz SJOUWUAAMSIBQZ-YUMQZZPRSA-N 0 3 191.221 1.220 20 0 ADADHN Cc1sccc1CN[C@H](C)CO 308062263 409681360 /nfs/dbraw/zinc/68/13/60/409681360.db2.gz WXEVNIQWDORVGW-SSDOTTSWSA-N 0 3 185.292 1.527 20 0 ADADHN Cc1sccc1CNCCCO 308063143 409681387 /nfs/dbraw/zinc/68/13/87/409681387.db2.gz XGGOWZCBPXQORI-UHFFFAOYSA-N 0 3 185.292 1.529 20 0 ADADHN Cc1sccc1CN[C@@H](C)CO 308062266 409681458 /nfs/dbraw/zinc/68/14/58/409681458.db2.gz WXEVNIQWDORVGW-ZETCQYMHSA-N 0 3 185.292 1.527 20 0 ADADHN CCN(CCO)Cc1csc(C)c1 308164492 409691604 /nfs/dbraw/zinc/69/16/04/409691604.db2.gz YPZUWHDQMAUOJR-UHFFFAOYSA-N 0 3 199.319 1.871 20 0 ADADHN FC(F)CN1CC[C@@H]2COC[C@@H]2C1 662036931 409682498 /nfs/dbraw/zinc/68/24/98/409682498.db2.gz SJOUWUAAMSIBQZ-SFYZADRCSA-N 0 3 191.221 1.220 20 0 ADADHN FC(F)CN1CC[C@H]2COC[C@H]2C1 662036930 409682516 /nfs/dbraw/zinc/68/25/16/409682516.db2.gz SJOUWUAAMSIBQZ-JGVFFNPUSA-N 0 3 191.221 1.220 20 0 ADADHN FC(F)CN1CC[C@@H]2COC[C@H]2C1 662036928 409683331 /nfs/dbraw/zinc/68/33/31/409683331.db2.gz SJOUWUAAMSIBQZ-HTQZYQBOSA-N 0 3 191.221 1.220 20 0 ADADHN CC(C)OC[C@@H](C)N[C@@H](C)CF 308090040 409684091 /nfs/dbraw/zinc/68/40/91/409684091.db2.gz SGEOBILRBPHZGR-DTWKUNHWSA-N 0 3 177.263 1.748 20 0 ADADHN Cc1cn[nH]c1CN[C@@H](C)CF 308089373 409684348 /nfs/dbraw/zinc/68/43/48/409684348.db2.gz RREOXNRCMXWFPQ-ZETCQYMHSA-N 0 3 171.219 1.166 20 0 ADADHN Cc1ccsc1CN(C)C[C@@H](C)O 308101748 409684561 /nfs/dbraw/zinc/68/45/61/409684561.db2.gz HYHPYGQKFPYSIP-SECBINFHSA-N 0 3 199.319 1.869 20 0 ADADHN CC(C)OC[C@H](C)N[C@@H](C)CF 308090041 409684902 /nfs/dbraw/zinc/68/49/02/409684902.db2.gz SGEOBILRBPHZGR-IUCAKERBSA-N 0 3 177.263 1.748 20 0 ADADHN CC(C)CC1(NCC(=O)N(C)C)CC1 662066484 409684920 /nfs/dbraw/zinc/68/49/20/409684920.db2.gz MWYNOHFVVMPHQU-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN Cc1sccc1CNC(C)(C)CO 308129039 409684993 /nfs/dbraw/zinc/68/49/93/409684993.db2.gz GZPOAKNHECCDHC-UHFFFAOYSA-N 0 3 199.319 1.917 20 0 ADADHN CC(C)CC1(N[C@H](C)C(N)=O)CC1 662072060 409685880 /nfs/dbraw/zinc/68/58/80/409685880.db2.gz OWAXVFWYMSRKMZ-MRVPVSSYSA-N 0 3 184.283 1.029 20 0 ADADHN CCNC(=O)CNC1(CC(C)C)CC1 662070149 409686508 /nfs/dbraw/zinc/68/65/08/409686508.db2.gz NUFIKBYCLNDJSC-UHFFFAOYSA-N 0 3 198.310 1.291 20 0 ADADHN CC(C)CC1(NCc2cn[nH]n2)CC1 662066354 409686794 /nfs/dbraw/zinc/68/67/94/409686794.db2.gz KAAJHOGMNZLUFV-UHFFFAOYSA-N 0 3 194.282 1.473 20 0 ADADHN CCN(Cc1ccco1)[C@H](C)CO 308160452 409687756 /nfs/dbraw/zinc/68/77/56/409687756.db2.gz WMJQWVMRNBGVIQ-SECBINFHSA-N 0 3 183.251 1.482 20 0 ADADHN Cc1cc(CN(C)C[C@H](C)O)cs1 308137243 409688960 /nfs/dbraw/zinc/68/89/60/409688960.db2.gz IYDWACXEXJZXBF-QMMMGPOBSA-N 0 3 199.319 1.869 20 0 ADADHN CCN(Cc1ccco1)[C@@H](C)CO 308160454 409689208 /nfs/dbraw/zinc/68/92/08/409689208.db2.gz WMJQWVMRNBGVIQ-VIFPVBQESA-N 0 3 183.251 1.482 20 0 ADADHN Cc1cc(CN(C)C[C@@H](C)O)cs1 308137242 409689666 /nfs/dbraw/zinc/68/96/66/409689666.db2.gz IYDWACXEXJZXBF-MRVPVSSYSA-N 0 3 199.319 1.869 20 0 ADADHN CC[C@@H](O)CNCc1csc(C)c1 308178154 409690989 /nfs/dbraw/zinc/69/09/89/409690989.db2.gz BGHOMVRCBJKAQE-SNVBAGLBSA-N 0 3 199.319 1.917 20 0 ADADHN CC[C@H](O)CNCc1csc(C)c1 308178152 409691390 /nfs/dbraw/zinc/69/13/90/409691390.db2.gz BGHOMVRCBJKAQE-JTQLQIEISA-N 0 3 199.319 1.917 20 0 ADADHN CC[C@@H]1CCC[C@H](C)N1CC(=O)NC 662156748 409692472 /nfs/dbraw/zinc/69/24/72/409692472.db2.gz CRYPZVBONKGHFM-VHSXEESVSA-N 0 3 198.310 1.385 20 0 ADADHN CC[C@@H]1CCC[C@H](C)N1CC(N)=O 662158126 409695302 /nfs/dbraw/zinc/69/53/02/409695302.db2.gz PUHJNXBIVWOLRF-DTWKUNHWSA-N 0 3 184.283 1.125 20 0 ADADHN CCCN(CC(N)=O)C[C@@H](C)CC 308209227 409695480 /nfs/dbraw/zinc/69/54/80/409695480.db2.gz FLDAAPBNISQRET-VIFPVBQESA-N 0 3 186.299 1.230 20 0 ADADHN CC[C@@H](CO)NCc1ccsc1C 308205724 409695808 /nfs/dbraw/zinc/69/58/08/409695808.db2.gz SSXILMTXTKPYIF-JTQLQIEISA-N 0 3 199.319 1.917 20 0 ADADHN CCCN(CC(N)=O)C[C@H](C)CC 308209226 409696864 /nfs/dbraw/zinc/69/68/64/409696864.db2.gz FLDAAPBNISQRET-SECBINFHSA-N 0 3 186.299 1.230 20 0 ADADHN CC[C@H](CO)NCc1csc(C)c1 308228996 409699094 /nfs/dbraw/zinc/69/90/94/409699094.db2.gz SBPPYWYESOKMOZ-SNVBAGLBSA-N 0 3 199.319 1.917 20 0 ADADHN CC[C@@H](CO)NCc1csc(C)c1 308228993 409700491 /nfs/dbraw/zinc/70/04/91/409700491.db2.gz SBPPYWYESOKMOZ-JTQLQIEISA-N 0 3 199.319 1.917 20 0 ADADHN Cc1nnsc1CNCC(C)(C)C 308218461 409700769 /nfs/dbraw/zinc/70/07/69/409700769.db2.gz BFQHNBNWJKDFFK-UHFFFAOYSA-N 0 3 199.323 1.982 20 0 ADADHN C[C@@H](CF)N[C@H](C)Cn1cccn1 308267260 409702830 /nfs/dbraw/zinc/70/28/30/409702830.db2.gz QHXUEXKUSLDCQN-DTWKUNHWSA-N 0 3 185.246 1.219 20 0 ADADHN COC[C@H](CC(C)C)N[C@@H](C)CF 308249151 409703474 /nfs/dbraw/zinc/70/34/74/409703474.db2.gz AQBOIJXFSQBBAY-UWVGGRQHSA-N 0 3 191.290 1.995 20 0 ADADHN C[C@@H](CF)N[C@@H](C)Cn1cccn1 308267261 409703578 /nfs/dbraw/zinc/70/35/78/409703578.db2.gz QHXUEXKUSLDCQN-IUCAKERBSA-N 0 3 185.246 1.219 20 0 ADADHN COC[C@@H](CC(C)C)N[C@@H](C)CF 308249155 409703996 /nfs/dbraw/zinc/70/39/96/409703996.db2.gz AQBOIJXFSQBBAY-VHSXEESVSA-N 0 3 191.290 1.995 20 0 ADADHN CN(CCCF)CC1=CCSC1 662268925 409704592 /nfs/dbraw/zinc/70/45/92/409704592.db2.gz QDIZIMGNAIBTTF-UHFFFAOYSA-N 0 3 189.299 1.951 20 0 ADADHN CCC[C@@H](C)C(=O)NCCN(C)C 308288771 409708464 /nfs/dbraw/zinc/70/84/64/409708464.db2.gz FTXVWANXVRZBSY-SECBINFHSA-N 0 3 186.299 1.100 20 0 ADADHN CCC[C@H](C)C(=O)NCCN(C)C 308288772 409707670 /nfs/dbraw/zinc/70/76/70/409707670.db2.gz FTXVWANXVRZBSY-VIFPVBQESA-N 0 3 186.299 1.100 20 0 ADADHN CCN(Cc1cccs1)[C@H](C)CO 308294926 409708400 /nfs/dbraw/zinc/70/84/00/409708400.db2.gz SNCWEEWVZGYIIS-SECBINFHSA-N 0 3 199.319 1.951 20 0 ADADHN Cc1nnsc1CNC[C@@H]1C[C@H]1C 308343799 409709690 /nfs/dbraw/zinc/70/96/90/409709690.db2.gz SRPIYNFNJBPFOC-SVRRBLITSA-N 0 3 197.307 1.592 20 0 ADADHN CO[C@H]1C[C@H](NCCF)C12CCC2 308353605 409710024 /nfs/dbraw/zinc/71/00/24/409710024.db2.gz XNUZWYZBNSSYSG-IUCAKERBSA-N 0 3 187.258 1.503 20 0 ADADHN Cc1ccoc1CN(C)C[C@H](C)O 308335305 409710221 /nfs/dbraw/zinc/71/02/21/409710221.db2.gz NSKLEWFJVCWAHL-VIFPVBQESA-N 0 3 183.251 1.401 20 0 ADADHN CO[C@@H]1C[C@@H](NCCF)C12CCC2 308353607 409710375 /nfs/dbraw/zinc/71/03/75/409710375.db2.gz XNUZWYZBNSSYSG-RKDXNWHRSA-N 0 3 187.258 1.503 20 0 ADADHN Cc1nnsc1CNC[C@H]1C[C@@H]1C 308343798 409710476 /nfs/dbraw/zinc/71/04/76/409710476.db2.gz SRPIYNFNJBPFOC-POYBYMJQSA-N 0 3 197.307 1.592 20 0 ADADHN Cc1nnsc1CNC[C@H]1C[C@H]1C 308343797 409710802 /nfs/dbraw/zinc/71/08/02/409710802.db2.gz SRPIYNFNJBPFOC-HTRCEHHLSA-N 0 3 197.307 1.592 20 0 ADADHN CO[C@H]1C[C@@H](NCCF)C12CCC2 308353602 409710982 /nfs/dbraw/zinc/71/09/82/409710982.db2.gz XNUZWYZBNSSYSG-BDAKNGLRSA-N 0 3 187.258 1.503 20 0 ADADHN Cc1ccoc1CN(C)C[C@@H](C)O 308335301 409711231 /nfs/dbraw/zinc/71/12/31/409711231.db2.gz NSKLEWFJVCWAHL-SECBINFHSA-N 0 3 183.251 1.401 20 0 ADADHN Cc1nnsc1CNC[C@@H]1C[C@@H]1C 308343800 409711935 /nfs/dbraw/zinc/71/19/35/409711935.db2.gz SRPIYNFNJBPFOC-XPUUQOCRSA-N 0 3 197.307 1.592 20 0 ADADHN CO[C@@H]1C[C@H](NCCF)C12CCC2 308353604 409711987 /nfs/dbraw/zinc/71/19/87/409711987.db2.gz XNUZWYZBNSSYSG-DTWKUNHWSA-N 0 3 187.258 1.503 20 0 ADADHN CN(CC(=O)N(C)C)C[C@@H]1CC1(C)C 662345034 409720577 /nfs/dbraw/zinc/72/05/77/409720577.db2.gz UPNQZZVJHGNAER-VIFPVBQESA-N 0 3 198.310 1.053 20 0 ADADHN CN(Cc1cn[nH]c1)C[C@H]1CC1(C)C 662343882 409721274 /nfs/dbraw/zinc/72/12/74/409721274.db2.gz CWFICZKLHURUSU-SNVBAGLBSA-N 0 3 193.294 1.888 20 0 ADADHN CN(CC(=O)N(C)C)C[C@H]1CC1(C)C 662345033 409721285 /nfs/dbraw/zinc/72/12/85/409721285.db2.gz UPNQZZVJHGNAER-SECBINFHSA-N 0 3 198.310 1.053 20 0 ADADHN CN(Cc1cn[nH]c1)C[C@@H]1CC1(C)C 662343871 409721593 /nfs/dbraw/zinc/72/15/93/409721593.db2.gz CWFICZKLHURUSU-JTQLQIEISA-N 0 3 193.294 1.888 20 0 ADADHN COCC[C@H](C)N1CCO[C@H](C)C1 308456925 409722073 /nfs/dbraw/zinc/72/20/73/409722073.db2.gz GHQRLCRCAVGSSA-VHSXEESVSA-N 0 3 187.283 1.132 20 0 ADADHN COCC[C@@H](C)N1CCO[C@H](C)C1 308456913 409722508 /nfs/dbraw/zinc/72/25/08/409722508.db2.gz GHQRLCRCAVGSSA-NXEZZACHSA-N 0 3 187.283 1.132 20 0 ADADHN CCNC(=O)CN(C)C[C@@H]1CC1(C)C 662347909 409722624 /nfs/dbraw/zinc/72/26/24/409722624.db2.gz LNJAAKAGUNVGKG-VIFPVBQESA-N 0 3 198.310 1.100 20 0 ADADHN COC1(CN[C@@H](C)CF)CCCC1 308439720 409722659 /nfs/dbraw/zinc/72/26/59/409722659.db2.gz YLKGHNJXWXESJI-VIFPVBQESA-N 0 3 189.274 1.893 20 0 ADADHN COCC[C@H](C)N1CCO[C@@H](C)C1 308456919 409722826 /nfs/dbraw/zinc/72/28/26/409722826.db2.gz GHQRLCRCAVGSSA-UWVGGRQHSA-N 0 3 187.283 1.132 20 0 ADADHN COCC[C@@H](C)N1CCO[C@@H](C)C1 308456931 409723618 /nfs/dbraw/zinc/72/36/18/409723618.db2.gz GHQRLCRCAVGSSA-ZJUUUORDSA-N 0 3 187.283 1.132 20 0 ADADHN CC[C@@H](C(N)=O)N(C)C[C@H]1CC1(C)C 662346748 409723967 /nfs/dbraw/zinc/72/39/67/409723967.db2.gz DLZNOOJWGRHDSN-BDAKNGLRSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](C(N)=O)N(C)C[C@H]1CC1(C)C 662346756 409724094 /nfs/dbraw/zinc/72/40/94/409724094.db2.gz DLZNOOJWGRHDSN-RKDXNWHRSA-N 0 3 198.310 1.228 20 0 ADADHN CCNC(=O)CN(C)C[C@H]1CC1(C)C 662347908 409724461 /nfs/dbraw/zinc/72/44/61/409724461.db2.gz LNJAAKAGUNVGKG-SECBINFHSA-N 0 3 198.310 1.100 20 0 ADADHN CC[C@H](NC)C(=O)Nc1ccccn1 662354051 409724488 /nfs/dbraw/zinc/72/44/88/409724488.db2.gz ZYEWCKNMGFBTEE-QMMMGPOBSA-N 0 3 193.250 1.018 20 0 ADADHN CC[C@H](C(N)=O)N(C)C[C@@H]1CC1(C)C 662346752 409724513 /nfs/dbraw/zinc/72/45/13/409724513.db2.gz DLZNOOJWGRHDSN-DTWKUNHWSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](C(N)=O)N(C)C[C@@H]1CC1(C)C 662346754 409724678 /nfs/dbraw/zinc/72/46/78/409724678.db2.gz DLZNOOJWGRHDSN-IUCAKERBSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](NC)C(=O)Nc1ccccn1 662354049 409725130 /nfs/dbraw/zinc/72/51/30/409725130.db2.gz ZYEWCKNMGFBTEE-MRVPVSSYSA-N 0 3 193.250 1.018 20 0 ADADHN CCCN1CCOC[C@H]1CCOC 308496505 409725870 /nfs/dbraw/zinc/72/58/70/409725870.db2.gz UHHPAXSUJCCWLY-SNVBAGLBSA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@@H](C)NCc1cnccc1OC 308479141 409726136 /nfs/dbraw/zinc/72/61/36/409726136.db2.gz LUXQPNBOFSTTFL-SECBINFHSA-N 0 3 194.278 1.978 20 0 ADADHN CC[C@H](C)NCc1cnccc1OC 308479143 409726316 /nfs/dbraw/zinc/72/63/16/409726316.db2.gz LUXQPNBOFSTTFL-VIFPVBQESA-N 0 3 194.278 1.978 20 0 ADADHN CCCN1CCOC[C@@H]1CCOC 308496504 409726723 /nfs/dbraw/zinc/72/67/23/409726723.db2.gz UHHPAXSUJCCWLY-JTQLQIEISA-N 0 3 187.283 1.134 20 0 ADADHN CC(C)[C@@H](CO)N[C@H](C)c1cn[nH]c1 308521218 409730065 /nfs/dbraw/zinc/73/00/65/409730065.db2.gz HURISABDBIBJME-PSASIEDQSA-N 0 3 197.282 1.077 20 0 ADADHN CC(C)[C@@H](CO)N[C@@H](C)c1cn[nH]c1 308521220 409730880 /nfs/dbraw/zinc/73/08/80/409730880.db2.gz HURISABDBIBJME-WCBMZHEXSA-N 0 3 197.282 1.077 20 0 ADADHN CN(CCC1CC1)C(=O)C1(N)CCC1 308509455 409730940 /nfs/dbraw/zinc/73/09/40/409730940.db2.gz KGVAJWLDTVLUAW-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CC(C)[C@@H](N)C(=O)N(C)CCC1CC1 308551693 409732855 /nfs/dbraw/zinc/73/28/55/409732855.db2.gz XRHITHYAGVDYCI-SNVBAGLBSA-N 0 3 198.310 1.228 20 0 ADADHN C[C@@H](Cc1ccc(O)cc1)NCCF 308555516 409733319 /nfs/dbraw/zinc/73/33/19/409733319.db2.gz RZNKOYYICREPGC-VIFPVBQESA-N 0 3 197.253 1.882 20 0 ADADHN C[C@H](Cc1ccc(O)cc1)NCCF 308555514 409733387 /nfs/dbraw/zinc/73/33/87/409733387.db2.gz RZNKOYYICREPGC-SECBINFHSA-N 0 3 197.253 1.882 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C)CCC1CC1 308551691 409733866 /nfs/dbraw/zinc/73/38/66/409733866.db2.gz XRHITHYAGVDYCI-JTQLQIEISA-N 0 3 198.310 1.228 20 0 ADADHN CCN(Cc1ccccn1)[C@H](C)CO 308550745 409733421 /nfs/dbraw/zinc/73/34/21/409733421.db2.gz PYNMBXBGDGPHDH-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN CCN(Cc1ccccn1)[C@@H](C)CO 308550744 409734020 /nfs/dbraw/zinc/73/40/20/409734020.db2.gz PYNMBXBGDGPHDH-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@@H](O)CN(C)Cc1occc1C 308573457 409736760 /nfs/dbraw/zinc/73/67/60/409736760.db2.gz LLYHJKAPMGLYIT-SNVBAGLBSA-N 0 3 197.278 1.791 20 0 ADADHN CC[C@H](NC)C(=O)Nc1ccsc1 662464018 409737365 /nfs/dbraw/zinc/73/73/65/409737365.db2.gz BNHBVTABASMVLB-QMMMGPOBSA-N 0 3 198.291 1.685 20 0 ADADHN CCCN(CCC)[C@H]1CCN(C)C1=O 662456933 409737683 /nfs/dbraw/zinc/73/76/83/409737683.db2.gz HWQJWMPBXNKFSB-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@H](O)CN(C)Cc1occc1C 308573455 409737775 /nfs/dbraw/zinc/73/77/75/409737775.db2.gz LLYHJKAPMGLYIT-JTQLQIEISA-N 0 3 197.278 1.791 20 0 ADADHN CCCN(CCC)[C@@H]1CCN(C)C1=O 662456934 409738066 /nfs/dbraw/zinc/73/80/66/409738066.db2.gz HWQJWMPBXNKFSB-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CC[C@@H](NC)C(=O)Nc1ccsc1 662464017 409738179 /nfs/dbraw/zinc/73/81/79/409738179.db2.gz BNHBVTABASMVLB-MRVPVSSYSA-N 0 3 198.291 1.685 20 0 ADADHN CC[C@H](O)CN[C@@H](C)c1c[nH]nc1C 308608220 409739055 /nfs/dbraw/zinc/73/90/55/409739055.db2.gz PZSPEYLECZVYJA-CBAPKCEASA-N 0 3 197.282 1.140 20 0 ADADHN CC[C@H](O)CN[C@H](C)c1c[nH]nc1C 308608219 409739202 /nfs/dbraw/zinc/73/92/02/409739202.db2.gz PZSPEYLECZVYJA-APPZFPTMSA-N 0 3 197.282 1.140 20 0 ADADHN Cc1nc([C@H](C)N(C)CC2CC2)n[nH]1 662489753 409739961 /nfs/dbraw/zinc/73/99/61/409739961.db2.gz LCQRIMUCKVJKGQ-ZETCQYMHSA-N 0 3 194.282 1.516 20 0 ADADHN CN(CCc1cncs1)C1CC1 662470450 409740241 /nfs/dbraw/zinc/74/02/41/409740241.db2.gz SQVXDOVBFAHQEF-UHFFFAOYSA-N 0 3 182.292 1.780 20 0 ADADHN CN(C)CC(C)(C)NCc1ccco1 308616113 409740501 /nfs/dbraw/zinc/74/05/01/409740501.db2.gz PDLWQVHPNUXHLA-UHFFFAOYSA-N 0 3 196.294 1.709 20 0 ADADHN Cc1nc([C@@H](C)N(C)CC2CC2)n[nH]1 662489751 409740574 /nfs/dbraw/zinc/74/05/74/409740574.db2.gz LCQRIMUCKVJKGQ-SSDOTTSWSA-N 0 3 194.282 1.516 20 0 ADADHN CC(C)C(=O)NC(C)(C)CN(C)C 308617730 409740692 /nfs/dbraw/zinc/74/06/92/409740692.db2.gz KWULKRWIGZCBLO-UHFFFAOYSA-N 0 3 186.299 1.099 20 0 ADADHN Cc1cc([C@@H](C)NCCO)ccc1F 308642830 409743011 /nfs/dbraw/zinc/74/30/11/409743011.db2.gz FSKQQHMYQQGEBB-SECBINFHSA-N 0 3 197.253 1.777 20 0 ADADHN CC[C@@H](N)C(=O)N(CC)C1CCC1 308638920 409743162 /nfs/dbraw/zinc/74/31/62/409743162.db2.gz DEAPYYSKRMNJQI-SECBINFHSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@@H](N)C(=O)NC(C)(C)C(C)C 308647930 409744544 /nfs/dbraw/zinc/74/45/44/409744544.db2.gz IRTLBXYHHHSJLT-MRVPVSSYSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@@H](N)C(=O)N(C(C)C)C1CC1 308637420 409744654 /nfs/dbraw/zinc/74/46/54/409744654.db2.gz CUZKNXBPJYQGJX-SECBINFHSA-N 0 3 184.283 1.123 20 0 ADADHN CCCN(Cc1cn[nH]n1)CC(C)C 662599046 409745453 /nfs/dbraw/zinc/74/54/53/409745453.db2.gz RGOBVURBWXWPRD-UHFFFAOYSA-N 0 3 196.298 1.673 20 0 ADADHN Cc1nc([C@H](C)N(C)CC(C)C)n[nH]1 662574580 409745945 /nfs/dbraw/zinc/74/59/45/409745945.db2.gz IWBYKFHFMQXHIC-QMMMGPOBSA-N 0 3 196.298 1.762 20 0 ADADHN CC(C)(NCCO)c1ccccc1F 308654885 409746622 /nfs/dbraw/zinc/74/66/22/409746622.db2.gz NMFVUPOYPJEXRW-UHFFFAOYSA-N 0 3 197.253 1.643 20 0 ADADHN Cc1nc([C@@H](C)N(C)CC(C)C)n[nH]1 662574579 409746920 /nfs/dbraw/zinc/74/69/20/409746920.db2.gz IWBYKFHFMQXHIC-MRVPVSSYSA-N 0 3 196.298 1.762 20 0 ADADHN CC[C@H](NC)C(=O)Nc1cccnc1 662659142 409748631 /nfs/dbraw/zinc/74/86/31/409748631.db2.gz IBXWYGFLGJQPEB-VIFPVBQESA-N 0 3 193.250 1.018 20 0 ADADHN CC[C@H](C)CCNC(=O)[C@@H](N)CC 662626223 409748788 /nfs/dbraw/zinc/74/87/88/409748788.db2.gz DRPFUFZJYYGXPS-IUCAKERBSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@H](N)C(=O)NCC[C@H](C)CC 662626221 409749034 /nfs/dbraw/zinc/74/90/34/409749034.db2.gz DRPFUFZJYYGXPS-BDAKNGLRSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@H](C)CCNC(=O)[C@H](N)CC 662626222 409749097 /nfs/dbraw/zinc/74/90/97/409749097.db2.gz DRPFUFZJYYGXPS-DTWKUNHWSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@@H](NC)C(=O)Nc1cccnc1 662659141 409749760 /nfs/dbraw/zinc/74/97/60/409749760.db2.gz IBXWYGFLGJQPEB-SECBINFHSA-N 0 3 193.250 1.018 20 0 ADADHN CC[C@H](C)CCNC(=O)C1(N)CCC1 662627283 409749797 /nfs/dbraw/zinc/74/97/97/409749797.db2.gz PNUDQQQOWQTNQV-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](C)CCNC(=O)[C@H](N)CC 662626224 409750226 /nfs/dbraw/zinc/75/02/26/409750226.db2.gz DRPFUFZJYYGXPS-RKDXNWHRSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@@H](C)CCNC(=O)C1(N)CCC1 662627282 409750630 /nfs/dbraw/zinc/75/06/30/409750630.db2.gz PNUDQQQOWQTNQV-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN CC(C)[C@@H](N)C(=O)NCC1=CCCC1 662706627 409752810 /nfs/dbraw/zinc/75/28/10/409752810.db2.gz DGICRNXKRBAYJE-SNVBAGLBSA-N 0 3 196.294 1.196 20 0 ADADHN NC1(C(=O)NCC2=CCCC2)CCC1 662706640 409752941 /nfs/dbraw/zinc/75/29/41/409752941.db2.gz DXGDXRIDFNTAJF-UHFFFAOYSA-N 0 3 194.278 1.094 20 0 ADADHN CC[C@H](N)C(=O)NCCCC1CCC1 662665355 409753142 /nfs/dbraw/zinc/75/31/42/409753142.db2.gz IFARZTMHIGTOFD-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](N)C(=O)NCCCC1CCC1 662665356 409753647 /nfs/dbraw/zinc/75/36/47/409753647.db2.gz IFARZTMHIGTOFD-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@H](N)C(=O)N(C1CC1)[C@H](C)C1CC1 308873952 409755447 /nfs/dbraw/zinc/75/54/47/409755447.db2.gz RUNZBUVYXAFJAV-JGVFFNPUSA-N 0 3 196.294 1.123 20 0 ADADHN C[C@@H](C1CC1)N(C(=O)[C@@H](C)N)C1CC1 308852684 409756310 /nfs/dbraw/zinc/75/63/10/409756310.db2.gz RUNZBUVYXAFJAV-SFYZADRCSA-N 0 3 196.294 1.123 20 0 ADADHN C[C@@H](N)C(=O)N(C1CC1)[C@H](C)C1CC1 308852683 409757600 /nfs/dbraw/zinc/75/76/00/409757600.db2.gz RUNZBUVYXAFJAV-HTQZYQBOSA-N 0 3 196.294 1.123 20 0 ADADHN C[C@H](N)C(=O)N(C1CC1)[C@@H](C)C1CC1 308873955 409757747 /nfs/dbraw/zinc/75/77/47/409757747.db2.gz RUNZBUVYXAFJAV-YUMQZZPRSA-N 0 3 196.294 1.123 20 0 ADADHN CCN(C(=O)CNC1CC1)C1CCC1 308877749 409757897 /nfs/dbraw/zinc/75/78/97/409757897.db2.gz ODQVPBIBFJGPMA-UHFFFAOYSA-N 0 3 196.294 1.139 20 0 ADADHN CCC[C@H](N)C(=O)N[C@@]12CCC[C@@H]1C2 662848111 409758235 /nfs/dbraw/zinc/75/82/35/409758235.db2.gz SZNKZDURYBQDTR-WCABBAIRSA-N 0 3 196.294 1.173 20 0 ADADHN CCC[C@H](N)C(=O)N[C@]12CCC[C@H]1C2 662848110 409758513 /nfs/dbraw/zinc/75/85/13/409758513.db2.gz SZNKZDURYBQDTR-QXEWZRGKSA-N 0 3 196.294 1.173 20 0 ADADHN CCCCCNC(=O)[C@H]1NCC1(C)C 308942807 409758620 /nfs/dbraw/zinc/75/86/20/409758620.db2.gz QXORMGAGAFMVOR-SECBINFHSA-N 0 3 198.310 1.291 20 0 ADADHN CCC(CC)N(C(=O)[C@@H](C)N)C1CC1 308918638 409759188 /nfs/dbraw/zinc/75/91/88/409759188.db2.gz BRGSHYDJSDWTBX-MRVPVSSYSA-N 0 3 198.310 1.513 20 0 ADADHN C[C@@H](N)C(=O)N(C1CCCC1)C1CC1 308896566 409759235 /nfs/dbraw/zinc/75/92/35/409759235.db2.gz ZQSPTBXCWUHRIX-MRVPVSSYSA-N 0 3 196.294 1.267 20 0 ADADHN CC(C)C(C)(C)NC(=O)CNC1CC1 308936737 409759257 /nfs/dbraw/zinc/75/92/57/409759257.db2.gz OIQMPHHZHNMGFX-UHFFFAOYSA-N 0 3 198.310 1.289 20 0 ADADHN CCC(CC)N(C(=O)CNC)C1CC1 308939740 409759654 /nfs/dbraw/zinc/75/96/54/409759654.db2.gz PRBLVHDRMNODCT-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN C[C@H](N)C(=O)N(C1CCCC1)C1CC1 308896567 409759718 /nfs/dbraw/zinc/75/97/18/409759718.db2.gz ZQSPTBXCWUHRIX-QMMMGPOBSA-N 0 3 196.294 1.267 20 0 ADADHN CCCCCNC(=O)[C@@H]1NCC1(C)C 308942808 409760676 /nfs/dbraw/zinc/76/06/76/409760676.db2.gz QXORMGAGAFMVOR-VIFPVBQESA-N 0 3 198.310 1.291 20 0 ADADHN CCC1(CC)CCCN(C(=O)CN)C1 662885937 409761240 /nfs/dbraw/zinc/76/12/40/409761240.db2.gz XPBXQPSCPPEVDX-UHFFFAOYSA-N 0 3 198.310 1.374 20 0 ADADHN CCC[C@H]1CCCC[C@H]1NC(=O)CN 308990533 409762425 /nfs/dbraw/zinc/76/24/25/409762425.db2.gz KZTDLWOFGVSLNO-VHSXEESVSA-N 0 3 198.310 1.420 20 0 ADADHN CCCC[C@H]1CCC[C@H]1NC(=O)CN 309006825 409762550 /nfs/dbraw/zinc/76/25/50/409762550.db2.gz QCYRANQVGTVROD-VHSXEESVSA-N 0 3 198.310 1.420 20 0 ADADHN CN[C@@H](C)C(=O)NC1CC2(CCC2)C1 662905314 409762585 /nfs/dbraw/zinc/76/25/85/409762585.db2.gz AAPSSSPAZNGYKT-QMMMGPOBSA-N 0 3 196.294 1.043 20 0 ADADHN CCC[C@@H]1CCCC[C@H]1NC(=O)CN 308990531 409762870 /nfs/dbraw/zinc/76/28/70/409762870.db2.gz KZTDLWOFGVSLNO-NXEZZACHSA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@H](N)C(=O)NC1(CC(C)C)CC1 662925356 409762894 /nfs/dbraw/zinc/76/28/94/409762894.db2.gz IFLBZBVSFKORCS-VIFPVBQESA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@@H]1CCC[C@@H]1NC(=O)CN 309006826 409763712 /nfs/dbraw/zinc/76/37/12/409763712.db2.gz QCYRANQVGTVROD-ZJUUUORDSA-N 0 3 198.310 1.420 20 0 ADADHN CCC[C@@H]1CCCC[C@@H]1NC(=O)CN 308990534 409763114 /nfs/dbraw/zinc/76/31/14/409763114.db2.gz KZTDLWOFGVSLNO-ZJUUUORDSA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@H](N)C(=O)NC1CC2(CCC2)C1 662909469 409763253 /nfs/dbraw/zinc/76/32/53/409763253.db2.gz MIODWRZCUGCQLQ-VIFPVBQESA-N 0 3 196.294 1.173 20 0 ADADHN CC(C)N(C(=O)CNC1CC1)C1CC1 308960676 409763262 /nfs/dbraw/zinc/76/32/62/409763262.db2.gz ZCTFWRIFPBQMJO-UHFFFAOYSA-N 0 3 196.294 1.138 20 0 ADADHN CC[C@@H](N)C(=O)NC1(CC(C)C)CC1 662925354 409763286 /nfs/dbraw/zinc/76/32/86/409763286.db2.gz IFLBZBVSFKORCS-SECBINFHSA-N 0 3 198.310 1.419 20 0 ADADHN NCC(=O)N(C1CCCCC1)C1CC1 308981870 409764008 /nfs/dbraw/zinc/76/40/08/409764008.db2.gz IMRYJUHLQGHACO-UHFFFAOYSA-N 0 3 196.294 1.269 20 0 ADADHN CC[C@@H](N)C(=O)NC1CC2(CCC2)C1 662906300 409764338 /nfs/dbraw/zinc/76/43/38/409764338.db2.gz MIODWRZCUGCQLQ-SECBINFHSA-N 0 3 196.294 1.173 20 0 ADADHN CC[C@@H]1CCC[C@H](C)N1C(=O)CN 662936901 409764877 /nfs/dbraw/zinc/76/48/77/409764877.db2.gz NCWQOAMSMQFGPJ-DTWKUNHWSA-N 0 3 184.283 1.125 20 0 ADADHN CCCC[C@H]1CCC[C@@H]1NC(=O)CN 309006824 409764878 /nfs/dbraw/zinc/76/48/78/409764878.db2.gz QCYRANQVGTVROD-UWVGGRQHSA-N 0 3 198.310 1.420 20 0 ADADHN CCCC[C@@H]1CCC[C@H]1NC(=O)CN 309006823 409764908 /nfs/dbraw/zinc/76/49/08/409764908.db2.gz QCYRANQVGTVROD-NXEZZACHSA-N 0 3 198.310 1.420 20 0 ADADHN CCC[C@H]1CCCC[C@@H]1NC(=O)CN 308990532 409765109 /nfs/dbraw/zinc/76/51/09/409765109.db2.gz KZTDLWOFGVSLNO-UWVGGRQHSA-N 0 3 198.310 1.420 20 0 ADADHN CN(C[C@@H]1CC1(C)C)C(=O)C(C)(C)N 662991177 409766138 /nfs/dbraw/zinc/76/61/38/409766138.db2.gz QWQWFONPOHVJHR-QMMMGPOBSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](N)C(=O)N(C)C[C@H]1CC1(C)C 662991627 409766649 /nfs/dbraw/zinc/76/66/49/409766649.db2.gz WFANJFNYDPULEE-BDAKNGLRSA-N 0 3 198.310 1.228 20 0 ADADHN NCC(=O)NCCCC1CCCCC1 309085113 409766673 /nfs/dbraw/zinc/76/66/73/409766673.db2.gz WIKDOWBHBHULAW-UHFFFAOYSA-N 0 3 198.310 1.422 20 0 ADADHN CN(C[C@H]1CC1(C)C)C(=O)C(C)(C)N 662991176 409767381 /nfs/dbraw/zinc/76/73/81/409767381.db2.gz QWQWFONPOHVJHR-MRVPVSSYSA-N 0 3 198.310 1.228 20 0 ADADHN CN[C@@H](C)C(=O)N(C)C[C@H]1CC1(C)C 662993616 409769521 /nfs/dbraw/zinc/76/95/21/409769521.db2.gz PFSVBTNIZGUACL-DTWKUNHWSA-N 0 3 198.310 1.099 20 0 ADADHN CN[C@@H](C)C(=O)N(C)C[C@@H]1CC1(C)C 662993617 409769755 /nfs/dbraw/zinc/76/97/55/409769755.db2.gz PFSVBTNIZGUACL-IUCAKERBSA-N 0 3 198.310 1.099 20 0 ADADHN CC[C@H](C)[C@H](C)N(C(=O)CN)C1CC1 309119894 409769859 /nfs/dbraw/zinc/76/98/59/409769859.db2.gz NDSRFQYMJBDRNR-IUCAKERBSA-N 0 3 198.310 1.371 20 0 ADADHN CC(C)CC1(CNC(=O)CN)CCC1 309144984 409770078 /nfs/dbraw/zinc/77/00/78/409770078.db2.gz UZMYAZGLGDUZTL-UHFFFAOYSA-N 0 3 198.310 1.278 20 0 ADADHN CC[C@@H](N)C(=O)N(C)C[C@H]1CC1(C)C 662991630 409770314 /nfs/dbraw/zinc/77/03/14/409770314.db2.gz WFANJFNYDPULEE-RKDXNWHRSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@H](C)[C@@H](C)N(C(=O)CN)C1CC1 309119893 409770315 /nfs/dbraw/zinc/77/03/15/409770315.db2.gz NDSRFQYMJBDRNR-DTWKUNHWSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N(C)C[C@@H]1CC1(C)C 662991629 409770382 /nfs/dbraw/zinc/77/03/82/409770382.db2.gz WFANJFNYDPULEE-IUCAKERBSA-N 0 3 198.310 1.228 20 0 ADADHN CC[C@@H](C)[C@@H](C)N(C(=O)CN)C1CC1 309119895 409770764 /nfs/dbraw/zinc/77/07/64/409770764.db2.gz NDSRFQYMJBDRNR-RKDXNWHRSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](C)[C@H](C)N(C(=O)CN)C1CC1 309119892 409771684 /nfs/dbraw/zinc/77/16/84/409771684.db2.gz NDSRFQYMJBDRNR-BDAKNGLRSA-N 0 3 198.310 1.371 20 0 ADADHN COCCNCc1cc(C)ns1 312001611 409775014 /nfs/dbraw/zinc/77/50/14/409775014.db2.gz GWAMLSHBBYBNDE-UHFFFAOYSA-N 0 3 186.280 1.188 20 0 ADADHN FCCOCCNCc1cccnc1 663341424 409777159 /nfs/dbraw/zinc/77/71/59/409777159.db2.gz JNFBZCLZAZGNAV-UHFFFAOYSA-N 0 3 198.241 1.157 20 0 ADADHN FCCOCCNCc1ccncc1 663339820 409777192 /nfs/dbraw/zinc/77/71/92/409777192.db2.gz CYDYWEXEMARVLL-UHFFFAOYSA-N 0 3 198.241 1.157 20 0 ADADHN C[C@H](N)C(=O)NCCCC(C)(C)C 313482570 409777254 /nfs/dbraw/zinc/77/72/54/409777254.db2.gz KMTDRRZYEWQEIX-QMMMGPOBSA-N 0 3 186.299 1.276 20 0 ADADHN FCCOCCNCc1cc[nH]c1 663340635 409777638 /nfs/dbraw/zinc/77/76/38/409777638.db2.gz HTXGYTOBKNIYRO-UHFFFAOYSA-N 0 3 186.230 1.090 20 0 ADADHN CC(C)(C)CCCNC(=O)C1(N)CC1 313485343 409778001 /nfs/dbraw/zinc/77/80/01/409778001.db2.gz NSCAMJDPAYDJAF-UHFFFAOYSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@@H](N)C(=O)NCCCC(C)(C)C 313482569 409778310 /nfs/dbraw/zinc/77/83/10/409778310.db2.gz KMTDRRZYEWQEIX-MRVPVSSYSA-N 0 3 186.299 1.276 20 0 ADADHN CCNC(=O)C(C)(C)NCC=C(C)C 313074561 409778728 /nfs/dbraw/zinc/77/87/28/409778728.db2.gz MONYMGYTFPGAPB-UHFFFAOYSA-N 0 3 198.310 1.457 20 0 ADADHN Cc1ccc(CN(C)[C@H](C)CO)nc1 663385561 409779678 /nfs/dbraw/zinc/77/96/78/409779678.db2.gz QIBIKZYGXHLQDC-SNVBAGLBSA-N 0 3 194.278 1.203 20 0 ADADHN O[C@@H](CNCc1ccco1)C1CCC1 316015151 409781990 /nfs/dbraw/zinc/78/19/90/409781990.db2.gz SJMUYCSEDLEYKK-NSHDSACASA-N 0 3 195.262 1.530 20 0 ADADHN Cc1ccc(CNC[C@@H](C)O)nc1C 314034757 409782632 /nfs/dbraw/zinc/78/26/32/409782632.db2.gz LYRJXKYIKUHCTG-SECBINFHSA-N 0 3 194.278 1.169 20 0 ADADHN O[C@H](CNCc1ccco1)C1CCC1 316015150 409782738 /nfs/dbraw/zinc/78/27/38/409782738.db2.gz SJMUYCSEDLEYKK-LLVKDONJSA-N 0 3 195.262 1.530 20 0 ADADHN Cc1ccc(CNC[C@H](C)O)nc1C 314034758 409782889 /nfs/dbraw/zinc/78/28/89/409782889.db2.gz LYRJXKYIKUHCTG-VIFPVBQESA-N 0 3 194.278 1.169 20 0 ADADHN C[C@@H]1CCCCN1Cc1ccnn1C 334197775 409787123 /nfs/dbraw/zinc/78/71/23/409787123.db2.gz MDXQWZBEQOYNQU-SNVBAGLBSA-N 0 3 193.294 1.795 20 0 ADADHN CC1(CN2CC[C@@H](F)[C@H](N)C2)CC1 663505989 409790833 /nfs/dbraw/zinc/79/08/33/409790833.db2.gz RMKOVRYDAFUQDP-RKDXNWHRSA-N 0 3 186.274 1.158 20 0 ADADHN C[C@@H]1COCCN1CC1CCOCC1 336183812 409795339 /nfs/dbraw/zinc/79/53/39/409795339.db2.gz XUTRPSXPOUISDJ-SNVBAGLBSA-N 0 3 199.294 1.134 20 0 ADADHN C1=CCN(CCc2cncs2)CC1 663693924 409795678 /nfs/dbraw/zinc/79/56/78/409795678.db2.gz URWHAGWGGZKIHD-UHFFFAOYSA-N 0 3 194.303 1.948 20 0 ADADHN CO[C@@H]1CCC[C@H]1NCc1cn[nH]c1 378730506 409797906 /nfs/dbraw/zinc/79/79/06/409797906.db2.gz KSSVHMLRCGHKBR-NXEZZACHSA-N 0 3 195.266 1.067 20 0 ADADHN CC(C)(CO)[C@@H](NCCF)C1CC1 378757652 409798198 /nfs/dbraw/zinc/79/81/98/409798198.db2.gz UBEVLXJMBNTHJT-VIFPVBQESA-N 0 3 189.274 1.343 20 0 ADADHN CCC[C@H](CNCc1cc[nH]c1)OC 378745740 409798283 /nfs/dbraw/zinc/79/82/83/409798283.db2.gz IOMLIIOGOYKLBB-LLVKDONJSA-N 0 3 196.294 1.919 20 0 ADADHN CCC[C@@H](CNCc1cc[nH]c1)OC 378745741 409798319 /nfs/dbraw/zinc/79/83/19/409798319.db2.gz IOMLIIOGOYKLBB-NSHDSACASA-N 0 3 196.294 1.919 20 0 ADADHN CC(C)(CO)[C@H](NCCF)C1CC1 378757650 409798348 /nfs/dbraw/zinc/79/83/48/409798348.db2.gz UBEVLXJMBNTHJT-SECBINFHSA-N 0 3 189.274 1.343 20 0 ADADHN CCc1nocc1CNC(C)C 378729967 409798757 /nfs/dbraw/zinc/79/87/57/409798757.db2.gz AICQEXGPMHNZCY-UHFFFAOYSA-N 0 3 168.240 1.735 20 0 ADADHN CC[C@H](O)CNCc1ccsc1C 378791307 409800690 /nfs/dbraw/zinc/80/06/90/409800690.db2.gz MWUIYVAEMZJQMN-JTQLQIEISA-N 0 3 199.319 1.917 20 0 ADADHN CC(C)C1(NCc2cn[nH]c2)CC1 378778246 409802147 /nfs/dbraw/zinc/80/21/47/409802147.db2.gz GFELMVJXJONJLY-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN CCOCC(C)(C)NCc1cn[nH]c1 378799814 409803398 /nfs/dbraw/zinc/80/33/98/409803398.db2.gz SVAWSOUTHVMIKI-UHFFFAOYSA-N 0 3 197.282 1.314 20 0 ADADHN CC(C)C1(NCc2cn(C)cn2)CC1 378868249 409812013 /nfs/dbraw/zinc/81/20/13/409812013.db2.gz HEWDNVXEMSLBOK-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN CC(C)C1(NCc2cnn(C)c2)CC1 378872320 409812227 /nfs/dbraw/zinc/81/22/27/409812227.db2.gz QWKBKRMFBFUSRL-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN CC(C)C1(NCc2cncn2C)CC1 378870456 409813061 /nfs/dbraw/zinc/81/30/61/409813061.db2.gz MJKANKHCQLLKFS-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN CCCNCc1conc1CC 378871471 409813650 /nfs/dbraw/zinc/81/36/50/409813650.db2.gz OSEYNJDJCPLKDR-UHFFFAOYSA-N 0 3 168.240 1.737 20 0 ADADHN Cc1ncn(CCN2CCCCC2)n1 664083275 409814847 /nfs/dbraw/zinc/81/48/47/409814847.db2.gz JBGMMNADSLOOPV-UHFFFAOYSA-N 0 3 194.282 1.072 20 0 ADADHN CCN(Cc1cccs1)[C@@H](C)CO 378872995 409816199 /nfs/dbraw/zinc/81/61/99/409816199.db2.gz SNCWEEWVZGYIIS-VIFPVBQESA-N 0 3 199.319 1.951 20 0 ADADHN C[C@@H](NCc1ccno1)C1CCC1 379077177 409816417 /nfs/dbraw/zinc/81/64/17/409816417.db2.gz NHORURYSFQFBNN-MRVPVSSYSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@H](NCc1ccno1)C1CCC1 379077178 409816525 /nfs/dbraw/zinc/81/65/25/409816525.db2.gz NHORURYSFQFBNN-QMMMGPOBSA-N 0 3 180.251 1.953 20 0 ADADHN CC[C@@H](CO)N(C)Cc1ccncc1 379174386 409818195 /nfs/dbraw/zinc/81/81/95/409818195.db2.gz QBFKTEFSDCWRIP-NSHDSACASA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@H](CO)N(C)Cc1ccncc1 379174365 409818298 /nfs/dbraw/zinc/81/82/98/409818298.db2.gz QBFKTEFSDCWRIP-LLVKDONJSA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@@H](CO)N(C)Cc1ccc(C)o1 379173586 409818433 /nfs/dbraw/zinc/81/84/33/409818433.db2.gz PTWUGEGPMICOIN-JTQLQIEISA-N 0 3 197.278 1.791 20 0 ADADHN CC[C@H](CO)N(C)Cc1ccsc1 379203446 409818511 /nfs/dbraw/zinc/81/85/11/409818511.db2.gz ZGRFKWVYVBYHFB-SNVBAGLBSA-N 0 3 199.319 1.951 20 0 ADADHN C[C@H]1C[C@@H](NCCCF)c2nccn21 379110372 409818608 /nfs/dbraw/zinc/81/86/08/409818608.db2.gz RWJDFFLWXIYAKZ-DTWKUNHWSA-N 0 3 197.257 1.838 20 0 ADADHN CC[C@H](CO)N(C)Cc1cccnc1 379156791 409818647 /nfs/dbraw/zinc/81/86/47/409818647.db2.gz KOFBNOPTIXYANN-LLVKDONJSA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@@H](CO)N(C)Cc1cccnc1 379156792 409818674 /nfs/dbraw/zinc/81/86/74/409818674.db2.gz KOFBNOPTIXYANN-NSHDSACASA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@@H](CO)N(C)Cc1ccsc1 379203445 409818797 /nfs/dbraw/zinc/81/87/97/409818797.db2.gz ZGRFKWVYVBYHFB-JTQLQIEISA-N 0 3 199.319 1.951 20 0 ADADHN CC[C@H](CO)N(C)Cc1ccc(C)o1 379173591 409818976 /nfs/dbraw/zinc/81/89/76/409818976.db2.gz PTWUGEGPMICOIN-SNVBAGLBSA-N 0 3 197.278 1.791 20 0 ADADHN C[C@H]1C[C@H](NCCCF)c2nccn21 379110373 409819229 /nfs/dbraw/zinc/81/92/29/409819229.db2.gz RWJDFFLWXIYAKZ-IUCAKERBSA-N 0 3 197.257 1.838 20 0 ADADHN C[C@@H]1C[C@@H](NCCCF)c2nccn21 379110374 409819419 /nfs/dbraw/zinc/81/94/19/409819419.db2.gz RWJDFFLWXIYAKZ-RKDXNWHRSA-N 0 3 197.257 1.838 20 0 ADADHN C[C@@H]1C[C@H](NCCCF)c2nccn21 379110371 409820817 /nfs/dbraw/zinc/82/08/17/409820817.db2.gz RWJDFFLWXIYAKZ-BDAKNGLRSA-N 0 3 197.257 1.838 20 0 ADADHN CC[C@H](COC)N[C@@H](C)CF 379308151 409822656 /nfs/dbraw/zinc/82/26/56/409822656.db2.gz WYAFCUVEZFDEND-JGVFFNPUSA-N 0 3 163.236 1.359 20 0 ADADHN CC[C@@H](O)CN1CC(C)(CC)C1 379311479 409823417 /nfs/dbraw/zinc/82/34/17/409823417.db2.gz MSXUESXGLLIQGT-SECBINFHSA-N 0 3 171.284 1.489 20 0 ADADHN CC[C@H](O)CN1CC(C)(CC)C1 379311480 409823670 /nfs/dbraw/zinc/82/36/70/409823670.db2.gz MSXUESXGLLIQGT-VIFPVBQESA-N 0 3 171.284 1.489 20 0 ADADHN CC[C@@H](COC)N[C@@H](C)CF 379308153 409823765 /nfs/dbraw/zinc/82/37/65/409823765.db2.gz WYAFCUVEZFDEND-YUMQZZPRSA-N 0 3 163.236 1.359 20 0 ADADHN Cc1sccc1CNC[C@@H](C)O 379320163 409825717 /nfs/dbraw/zinc/82/57/17/409825717.db2.gz UZIVOHIEHXBJET-SSDOTTSWSA-N 0 3 185.292 1.527 20 0 ADADHN CCOC1CC(N[C@@H](C)CF)C1 379328499 409826208 /nfs/dbraw/zinc/82/62/08/409826208.db2.gz PTTMZSGYSUEDLV-UEJVZZJDSA-N 0 3 175.247 1.502 20 0 ADADHN CC[C@@H](C)C(=O)NC[C@H](C)N(C)C 379373028 409837036 /nfs/dbraw/zinc/83/70/36/409837036.db2.gz WNZDLXPUBQKFTG-BDAKNGLRSA-N 0 3 186.299 1.099 20 0 ADADHN Cc1sccc1CNC[C@H](C)O 379320164 409826880 /nfs/dbraw/zinc/82/68/80/409826880.db2.gz UZIVOHIEHXBJET-ZETCQYMHSA-N 0 3 185.292 1.527 20 0 ADADHN CC[C@@H](O)CNCc1ccsc1C 379343792 409829854 /nfs/dbraw/zinc/82/98/54/409829854.db2.gz MWUIYVAEMZJQMN-SNVBAGLBSA-N 0 3 199.319 1.917 20 0 ADADHN CC[C@H](CO)NCc1ccsc1C 379345403 409829978 /nfs/dbraw/zinc/82/99/78/409829978.db2.gz SSXILMTXTKPYIF-SNVBAGLBSA-N 0 3 199.319 1.917 20 0 ADADHN CC[C@@H](C)CN1CCO[C@H](CF)C1 664805736 409830578 /nfs/dbraw/zinc/83/05/78/409830578.db2.gz XJODKWVIIJGKNP-NXEZZACHSA-N 0 3 189.274 1.703 20 0 ADADHN CC[C@H](C)CN1CCO[C@@H](CF)C1 664805737 409830629 /nfs/dbraw/zinc/83/06/29/409830629.db2.gz XJODKWVIIJGKNP-UWVGGRQHSA-N 0 3 189.274 1.703 20 0 ADADHN CC[C@H](C)CN1CCO[C@H](CF)C1 664805738 409831183 /nfs/dbraw/zinc/83/11/83/409831183.db2.gz XJODKWVIIJGKNP-VHSXEESVSA-N 0 3 189.274 1.703 20 0 ADADHN CCN(CCC(F)(F)F)[C@H](C)CO 379354012 409831413 /nfs/dbraw/zinc/83/14/13/409831413.db2.gz HEQUQFSKFBQHPB-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN Cc1cc(CN(C)[C@H](C)CO)cs1 379355958 409833809 /nfs/dbraw/zinc/83/38/09/409833809.db2.gz MQROCSLZDPUWIY-MRVPVSSYSA-N 0 3 199.319 1.869 20 0 ADADHN CC[C@@H](C)CN1CCO[C@@H](CF)C1 664805740 409835180 /nfs/dbraw/zinc/83/51/80/409835180.db2.gz XJODKWVIIJGKNP-ZJUUUORDSA-N 0 3 189.274 1.703 20 0 ADADHN CC[C@@H](C)C(=O)NC[C@@H](C)N(C)C 379373031 409837090 /nfs/dbraw/zinc/83/70/90/409837090.db2.gz WNZDLXPUBQKFTG-RKDXNWHRSA-N 0 3 186.299 1.099 20 0 ADADHN Cc1ccc(CN(C)C[C@H](C)O)s1 379385839 409838012 /nfs/dbraw/zinc/83/80/12/409838012.db2.gz VOXAEXJGYWRYMW-QMMMGPOBSA-N 0 3 199.319 1.869 20 0 ADADHN CC[C@H](C)C(=O)NC[C@@H](C)N(C)C 379373029 409838128 /nfs/dbraw/zinc/83/81/28/409838128.db2.gz WNZDLXPUBQKFTG-DTWKUNHWSA-N 0 3 186.299 1.099 20 0 ADADHN CC[C@H](C)C(=O)NC[C@H](C)N(C)C 379373030 409838427 /nfs/dbraw/zinc/83/84/27/409838427.db2.gz WNZDLXPUBQKFTG-IUCAKERBSA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)OC1CC(N[C@@H](C)CF)C1 379382543 409838536 /nfs/dbraw/zinc/83/85/36/409838536.db2.gz FEZLEVSEILTRJD-IDKOKCKLSA-N 0 3 189.274 1.890 20 0 ADADHN CNC(=O)CN(C)[C@@H](C)C(C)(C)C 379387438 409840373 /nfs/dbraw/zinc/84/03/73/409840373.db2.gz HITCDMAUFNAYMY-QMMMGPOBSA-N 0 3 186.299 1.099 20 0 ADADHN CNC(=O)CN(C)[C@H](C)C(C)(C)C 379387437 409840615 /nfs/dbraw/zinc/84/06/15/409840615.db2.gz HITCDMAUFNAYMY-MRVPVSSYSA-N 0 3 186.299 1.099 20 0 ADADHN Cc1nnsc1CNCC1CCC1 379388774 409840834 /nfs/dbraw/zinc/84/08/34/409840834.db2.gz KCFSOKFQCRSBHY-UHFFFAOYSA-N 0 3 197.307 1.736 20 0 ADADHN COC[C@H](C)NCc1ccoc1C 379400748 409843153 /nfs/dbraw/zinc/84/31/53/409843153.db2.gz JHQALIPPCDAPJK-QMMMGPOBSA-N 0 3 183.251 1.713 20 0 ADADHN CCC[C@H](C)N(C)CC(=O)NCC 379407706 409843424 /nfs/dbraw/zinc/84/34/24/409843424.db2.gz ZHSUFBJPPZFMIR-VIFPVBQESA-N 0 3 186.299 1.243 20 0 ADADHN CCC[C@@H](C)N(C)CC(=O)NCC 379407705 409843649 /nfs/dbraw/zinc/84/36/49/409843649.db2.gz ZHSUFBJPPZFMIR-SECBINFHSA-N 0 3 186.299 1.243 20 0 ADADHN CO[C@@](C)(C1CC1)[C@H](C)NCCF 665122782 409843757 /nfs/dbraw/zinc/84/37/57/409843757.db2.gz ZZSKWMJRJZLPLA-WCBMZHEXSA-N 0 3 189.274 1.749 20 0 ADADHN CCN(Cc1ccsc1)[C@H](C)CO 379404713 409844072 /nfs/dbraw/zinc/84/40/72/409844072.db2.gz RCNMRIFSZLANSE-SECBINFHSA-N 0 3 199.319 1.951 20 0 ADADHN CO[C@](C)(C1CC1)[C@@H](C)NCCF 665122780 409844393 /nfs/dbraw/zinc/84/43/93/409844393.db2.gz ZZSKWMJRJZLPLA-SCZZXKLOSA-N 0 3 189.274 1.749 20 0 ADADHN CO[C@@](C)(C1CC1)[C@@H](C)NCCF 665122779 409844463 /nfs/dbraw/zinc/84/44/63/409844463.db2.gz ZZSKWMJRJZLPLA-PSASIEDQSA-N 0 3 189.274 1.749 20 0 ADADHN CO[C@](C)(C1CC1)[C@H](C)NCCF 665122784 409844852 /nfs/dbraw/zinc/84/48/52/409844852.db2.gz ZZSKWMJRJZLPLA-WPRPVWTQSA-N 0 3 189.274 1.749 20 0 ADADHN CCN(Cc1ccncc1)[C@H](C)CO 379487967 409846205 /nfs/dbraw/zinc/84/62/05/409846205.db2.gz LQXJVWBMUZLUPD-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN CC(C)[C@@H](C)N(C)CC(=O)N(C)C 379415475 409846312 /nfs/dbraw/zinc/84/63/12/409846312.db2.gz QABZGDWHQAZJNX-SECBINFHSA-N 0 3 186.299 1.051 20 0 ADADHN CC(C)[C@H](C)N(C)CC(=O)N(C)C 379415476 409846484 /nfs/dbraw/zinc/84/64/84/409846484.db2.gz QABZGDWHQAZJNX-VIFPVBQESA-N 0 3 186.299 1.051 20 0 ADADHN CCCCN(CC(N)=O)CC(C)C 379413824 409846539 /nfs/dbraw/zinc/84/65/39/409846539.db2.gz MQAZESRBJRBJDQ-UHFFFAOYSA-N 0 3 186.299 1.230 20 0 ADADHN CCN(Cc1ccncc1)[C@@H](C)CO 379487964 409846741 /nfs/dbraw/zinc/84/67/41/409846741.db2.gz LQXJVWBMUZLUPD-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN COc1ccncc1CNCC1CC1 379507349 409847146 /nfs/dbraw/zinc/84/71/46/409847146.db2.gz RWBUQHPMJCYKSR-UHFFFAOYSA-N 0 3 192.262 1.590 20 0 ADADHN COC1([C@H](C)NCCF)CCC1 665219612 409848762 /nfs/dbraw/zinc/84/87/62/409848762.db2.gz SMCYOUHGGZVXIS-QMMMGPOBSA-N 0 3 175.247 1.503 20 0 ADADHN COC1([C@@H](C)NCCF)CCC1 665219611 409848832 /nfs/dbraw/zinc/84/88/32/409848832.db2.gz SMCYOUHGGZVXIS-MRVPVSSYSA-N 0 3 175.247 1.503 20 0 ADADHN Cc1ncccc1CN(C)C[C@@H](C)O 379527718 409849868 /nfs/dbraw/zinc/84/98/68/409849868.db2.gz HGIQHZDLTBWSJO-SECBINFHSA-N 0 3 194.278 1.203 20 0 ADADHN CCN(CC)CC(=O)N(CC)C1CC1 379544311 409850421 /nfs/dbraw/zinc/85/04/21/409850421.db2.gz UKNOWHMYQNLMOU-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCCN(CC(C)C)C(=O)C1(N)CC1 379568183 409850466 /nfs/dbraw/zinc/85/04/66/409850466.db2.gz FFSXJSHLMZVCRC-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@H](N)C(=O)N(CC)C1CCC1 379570840 409853040 /nfs/dbraw/zinc/85/30/40/409853040.db2.gz DEAPYYSKRMNJQI-VIFPVBQESA-N 0 3 184.283 1.125 20 0 ADADHN COCC(C)(C)CNCc1ncc[nH]1 379592394 409856533 /nfs/dbraw/zinc/85/65/33/409856533.db2.gz YRDMXPSMIPOONY-UHFFFAOYSA-N 0 3 197.282 1.172 20 0 ADADHN CC[C@H](N)C(=O)NC(C)(C)C(C)C 379599083 409856588 /nfs/dbraw/zinc/85/65/88/409856588.db2.gz IRTLBXYHHHSJLT-QMMMGPOBSA-N 0 3 186.299 1.275 20 0 ADADHN CC[C@H](O)CNCc1cccnc1C 379591515 409857343 /nfs/dbraw/zinc/85/73/43/409857343.db2.gz XOFBMYRSGGNDLP-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN CCC(CC)N(C(=O)CN)C1CC1 379654072 409863993 /nfs/dbraw/zinc/86/39/93/409863993.db2.gz IOHZMLJWBJOOET-UHFFFAOYSA-N 0 3 184.283 1.125 20 0 ADADHN CC[C@H](N)C(=O)N(C(C)C)C1CC1 379649561 409864236 /nfs/dbraw/zinc/86/42/36/409864236.db2.gz CUZKNXBPJYQGJX-VIFPVBQESA-N 0 3 184.283 1.123 20 0 ADADHN CCn1ccnc1CNC1(CC)CC1 379734381 409865663 /nfs/dbraw/zinc/86/56/63/409865663.db2.gz CMHDKXHVAIUYOK-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CCn1nccc1CNC1(CC)CC1 379727654 409865687 /nfs/dbraw/zinc/86/56/87/409865687.db2.gz YIVYUYZKUTZRPK-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CCC1(NCc2ccn(C)n2)CC1 379734151 409865813 /nfs/dbraw/zinc/86/58/13/409865813.db2.gz BXYRSJVOKORHRN-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CCC1(NCc2cnn(C)c2)CC1 379722078 409866574 /nfs/dbraw/zinc/86/65/74/409866574.db2.gz IHZJTNIVFLSTFK-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CCC1(NCc2c[nH]nc2C)CC1 379720140 409866644 /nfs/dbraw/zinc/86/66/44/409866644.db2.gz ZBDFPMBIRMYRGP-UHFFFAOYSA-N 0 3 179.267 1.750 20 0 ADADHN CCC1(NCc2ncc[nH]2)CC1 379741554 409867016 /nfs/dbraw/zinc/86/70/16/409867016.db2.gz NZZMXYVXXGQTRT-UHFFFAOYSA-N 0 3 165.240 1.442 20 0 ADADHN CCC1(NCc2ccc(CO)o2)CC1 379735177 409867196 /nfs/dbraw/zinc/86/71/96/409867196.db2.gz FHJCVJISMNRPRF-UHFFFAOYSA-N 0 3 195.262 1.804 20 0 ADADHN CCC1(NCc2cn(C)nc2C)CC1 379724671 409867255 /nfs/dbraw/zinc/86/72/55/409867255.db2.gz QMAFRVFROCSVMW-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN CCC1(NCc2ccnn2C)CC1 379715958 409867339 /nfs/dbraw/zinc/86/73/39/409867339.db2.gz LVYCDHYPILPJSC-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CCC1(NCc2snnc2C)CC1 379734318 409867449 /nfs/dbraw/zinc/86/74/49/409867449.db2.gz CZZLHEWAEWEHLV-UHFFFAOYSA-N 0 3 197.307 1.879 20 0 ADADHN CCC1(NCc2cc[nH]n2)CC1 379740901 409867865 /nfs/dbraw/zinc/86/78/65/409867865.db2.gz LOHXIWQDYDWIGB-UHFFFAOYSA-N 0 3 165.240 1.442 20 0 ADADHN CCn1cc(CNC2(CC)CC2)cn1 379740497 409867986 /nfs/dbraw/zinc/86/79/86/409867986.db2.gz KHYMLLWNKUEDME-UHFFFAOYSA-N 0 3 193.294 1.935 20 0 ADADHN CCC1(NCc2cncn2C)CC1 379721581 409868009 /nfs/dbraw/zinc/86/80/09/409868009.db2.gz GOVNYGAETBDGNS-UHFFFAOYSA-N 0 3 179.267 1.452 20 0 ADADHN CC[C@H](C)N(C)C(=O)[C@H]1NCC1(C)C 380026091 409868569 /nfs/dbraw/zinc/86/85/69/409868569.db2.gz YPZMZLNIGRSLTH-DTWKUNHWSA-N 0 3 198.310 1.241 20 0 ADADHN C[C@H]1CC[C@@H](C)N1C(=O)CNC1CC1 379955391 409868603 /nfs/dbraw/zinc/86/86/03/409868603.db2.gz VFIYIYFHGOGYJC-DTORHVGOSA-N 0 3 196.294 1.138 20 0 ADADHN CCCCN(C)C(=O)[C@@H]1NCC1(C)C 379968579 409869440 /nfs/dbraw/zinc/86/94/40/409869440.db2.gz ACTXXXGDGMWVLN-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CCC[C@H](C)NC(=O)[C@H]1NCC1(C)C 379971817 409869469 /nfs/dbraw/zinc/86/94/69/409869469.db2.gz BNPPMSBLUVKVJN-DTWKUNHWSA-N 0 3 198.310 1.289 20 0 ADADHN CC[C@H](N)C(=O)N(C(C)C)C1CCC1 380019712 409869615 /nfs/dbraw/zinc/86/96/15/409869615.db2.gz NYBGSTPTJMNLIO-JTQLQIEISA-N 0 3 198.310 1.513 20 0 ADADHN CC(C)CCNC(=O)[C@H]1NCC1(C)C 380029155 409869649 /nfs/dbraw/zinc/86/96/49/409869649.db2.gz ZZXWVPISYBLLQE-SECBINFHSA-N 0 3 198.310 1.147 20 0 ADADHN CCCCN(C)C(=O)[C@H]1NCC1(C)C 379968565 409869766 /nfs/dbraw/zinc/86/97/66/409869766.db2.gz ACTXXXGDGMWVLN-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C)N(C)C(=O)[C@H]1NCC1(C)C 380026093 409869827 /nfs/dbraw/zinc/86/98/27/409869827.db2.gz YPZMZLNIGRSLTH-RKDXNWHRSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C)N(C)C(=O)[C@@H]1NCC1(C)C 380026092 409869944 /nfs/dbraw/zinc/86/99/44/409869944.db2.gz YPZMZLNIGRSLTH-IUCAKERBSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C)N(C)C(=O)[C@@H]1NCC1(C)C 380026090 409870154 /nfs/dbraw/zinc/87/01/54/409870154.db2.gz YPZMZLNIGRSLTH-BDAKNGLRSA-N 0 3 198.310 1.241 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@H]1NCC1(C)C 379971820 409870173 /nfs/dbraw/zinc/87/01/73/409870173.db2.gz BNPPMSBLUVKVJN-RKDXNWHRSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@H]1CC[C@H](C)N1C(=O)CNC1CC1 379955392 409870634 /nfs/dbraw/zinc/87/06/34/409870634.db2.gz VFIYIYFHGOGYJC-IUCAKERBSA-N 0 3 196.294 1.138 20 0 ADADHN CC(C)CCNC(=O)[C@@H]1NCC1(C)C 380029157 409870733 /nfs/dbraw/zinc/87/07/33/409870733.db2.gz ZZXWVPISYBLLQE-VIFPVBQESA-N 0 3 198.310 1.147 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@@H]1NCC1(C)C 379971813 409870796 /nfs/dbraw/zinc/87/07/96/409870796.db2.gz BNPPMSBLUVKVJN-BDAKNGLRSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@@H]1CC[C@@H](C)N1C(=O)CNC1CC1 379955393 409870839 /nfs/dbraw/zinc/87/08/39/409870839.db2.gz VFIYIYFHGOGYJC-RKDXNWHRSA-N 0 3 196.294 1.138 20 0 ADADHN CCC[C@H](C)NC(=O)[C@@H]1NCC1(C)C 379971819 409870855 /nfs/dbraw/zinc/87/08/55/409870855.db2.gz BNPPMSBLUVKVJN-IUCAKERBSA-N 0 3 198.310 1.289 20 0 ADADHN CCC(CC)N(C(=O)[C@H](C)N)C1CC1 380064347 409871884 /nfs/dbraw/zinc/87/18/84/409871884.db2.gz BRGSHYDJSDWTBX-QMMMGPOBSA-N 0 3 198.310 1.513 20 0 ADADHN C[C@@H](CNC(=O)CC1(C)CC1)N(C)C 665551206 409878002 /nfs/dbraw/zinc/87/80/02/409878002.db2.gz UPZNHYYRPFCQOP-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN NCC(=O)NCCCCC1CCCC1 380282587 409875687 /nfs/dbraw/zinc/87/56/87/409875687.db2.gz ZGGSTUBFOYTOJL-UHFFFAOYSA-N 0 3 198.310 1.422 20 0 ADADHN CC[C@@H](N)C(=O)N(C(C)C)C1CCC1 380244716 409876087 /nfs/dbraw/zinc/87/60/87/409876087.db2.gz NYBGSTPTJMNLIO-SNVBAGLBSA-N 0 3 198.310 1.513 20 0 ADADHN CCC(CC)NC(=O)[C@@H]1NCC1(C)C 380202289 409875901 /nfs/dbraw/zinc/87/59/01/409875901.db2.gz UNSKLEXUTYGONM-VIFPVBQESA-N 0 3 198.310 1.289 20 0 ADADHN CCC(CC)NC(=O)[C@H]1NCC1(C)C 380202288 409876255 /nfs/dbraw/zinc/87/62/55/409876255.db2.gz UNSKLEXUTYGONM-SECBINFHSA-N 0 3 198.310 1.289 20 0 ADADHN C[C@@H](CNC(=O)C1(C)CCC1)N(C)C 665550469 409877616 /nfs/dbraw/zinc/87/76/16/409877616.db2.gz ZWULBNRKEZVXGV-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN C[C@H](C(=O)NC[C@H](C)N(C)C)C1CC1 665550455 409877749 /nfs/dbraw/zinc/87/77/49/409877749.db2.gz IURAICCSHBEGKH-IUCAKERBSA-N 0 3 198.310 1.099 20 0 ADADHN C[C@@H](CNC(=O)[C@H](C)C1CC1)N(C)C 665550419 409877826 /nfs/dbraw/zinc/87/78/26/409877826.db2.gz IURAICCSHBEGKH-DTWKUNHWSA-N 0 3 198.310 1.099 20 0 ADADHN C[C@@H](CNC(=O)[C@H]1CC1(C)C)N(C)C 665551086 409878055 /nfs/dbraw/zinc/87/80/55/409878055.db2.gz VIERSHHZFVOXHB-DTWKUNHWSA-N 0 3 198.310 1.099 20 0 ADADHN CCC1(C(=O)NC[C@H](C)N(C)C)CC1 665550465 409879025 /nfs/dbraw/zinc/87/90/25/409879025.db2.gz UTEOTOYZWUHAMT-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@@H](C(=O)N[C@H]1CC1(C)C)N(C)C 665643076 409880713 /nfs/dbraw/zinc/88/07/13/409880713.db2.gz KUGPOOSNTDAZHP-IUCAKERBSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C(=O)N[C@H]1CC1(C)C)N(C)C 665643075 409881267 /nfs/dbraw/zinc/88/12/67/409881267.db2.gz KUGPOOSNTDAZHP-BDAKNGLRSA-N 0 3 198.310 1.241 20 0 ADADHN CCCCC(=O)N[C@H]1CCN(CC)C1 665669100 409882840 /nfs/dbraw/zinc/88/28/40/409882840.db2.gz CSFNNPYRGUKWHR-JTQLQIEISA-N 0 3 198.310 1.387 20 0 ADADHN CCN1CC[C@H](NC(=O)CC(C)C)C1 665669192 409882956 /nfs/dbraw/zinc/88/29/56/409882956.db2.gz TXYSERMCLBFYIG-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCN1CC[C@@H](NC(=O)CC(C)C)C1 665669193 409883150 /nfs/dbraw/zinc/88/31/50/409883150.db2.gz TXYSERMCLBFYIG-SNVBAGLBSA-N 0 3 198.310 1.243 20 0 ADADHN CCCCC(=O)N[C@@H]1CCN(CC)C1 665669101 409883351 /nfs/dbraw/zinc/88/33/51/409883351.db2.gz CSFNNPYRGUKWHR-SNVBAGLBSA-N 0 3 198.310 1.387 20 0 ADADHN Cc1cc([C@H](C)NCCO)cs1 381751504 409884240 /nfs/dbraw/zinc/88/42/40/409884240.db2.gz NOAHHLGIQUJPCZ-QMMMGPOBSA-N 0 3 185.292 1.699 20 0 ADADHN CO[C@H](C)[C@H](C)NCc1conc1C 381985903 409884404 /nfs/dbraw/zinc/88/44/04/409884404.db2.gz GNCCIZOCXWKPJP-IONNQARKSA-N 0 3 198.266 1.496 20 0 ADADHN CO[C@H](C)[C@@H](C)NCc1conc1C 381985906 409884580 /nfs/dbraw/zinc/88/45/80/409884580.db2.gz GNCCIZOCXWKPJP-VXNVDRBHSA-N 0 3 198.266 1.496 20 0 ADADHN CO[C@@H](C)[C@H](C)NCc1conc1C 381985902 409884968 /nfs/dbraw/zinc/88/49/68/409884968.db2.gz GNCCIZOCXWKPJP-CBAPKCEASA-N 0 3 198.266 1.496 20 0 ADADHN CO[C@@H](C)[C@@H](C)NCc1conc1C 381985901 409885421 /nfs/dbraw/zinc/88/54/21/409885421.db2.gz GNCCIZOCXWKPJP-APPZFPTMSA-N 0 3 198.266 1.496 20 0 ADADHN Cc1cc([C@@H](C)NCCO)cs1 381751502 409885921 /nfs/dbraw/zinc/88/59/21/409885921.db2.gz NOAHHLGIQUJPCZ-MRVPVSSYSA-N 0 3 185.292 1.699 20 0 ADADHN CC(C)C1(NCc2nccn2C)CC1 382047953 409888010 /nfs/dbraw/zinc/88/80/10/409888010.db2.gz CMNVITGMSVUWRW-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN CCc1nocc1CNC[C@@H](O)CC 382037617 409888898 /nfs/dbraw/zinc/88/88/98/409888898.db2.gz WJQCGOCQKVOTAR-VIFPVBQESA-N 0 3 198.266 1.098 20 0 ADADHN CCc1nocc1CNC1CCC1 382008772 409889018 /nfs/dbraw/zinc/88/90/18/409889018.db2.gz CCJRTKDFMCSHIM-UHFFFAOYSA-N 0 3 180.251 1.879 20 0 ADADHN CCN(CCC(F)(F)F)[C@@H](C)CO 382102854 409890051 /nfs/dbraw/zinc/89/00/51/409890051.db2.gz HEQUQFSKFBQHPB-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN CC[C@@H](CO)N(C)CCC(F)(F)F 382111806 409890330 /nfs/dbraw/zinc/89/03/30/409890330.db2.gz RECQTVDAYLBXDU-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN CC(C)C1(NCc2cc[nH]n2)CC1 382105597 409890242 /nfs/dbraw/zinc/89/02/42/409890242.db2.gz IEWZHCCZSIQWIF-UHFFFAOYSA-N 0 3 179.267 1.688 20 0 ADADHN CCc1nocc1CNCCCF 382112563 409890635 /nfs/dbraw/zinc/89/06/35/409890635.db2.gz LAKUPZRIJMVCTP-UHFFFAOYSA-N 0 3 186.230 1.686 20 0 ADADHN CC[C@H](CO)N(C)CCC(F)(F)F 382111805 409891234 /nfs/dbraw/zinc/89/12/34/409891234.db2.gz RECQTVDAYLBXDU-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN Cc1c[nH]nc1CNC1(C(C)C)CC1 382148485 409893181 /nfs/dbraw/zinc/89/31/81/409893181.db2.gz OSFLYQGBZIODMY-UHFFFAOYSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1[nH]ncc1CNCC(C)(F)F 382171145 409893245 /nfs/dbraw/zinc/89/32/45/409893245.db2.gz WJZDWMVJZKHXJQ-UHFFFAOYSA-N 0 3 189.209 1.463 20 0 ADADHN CC(C)[C@H](N)C(=O)N(C)C(C)(C)C 382157150 409894322 /nfs/dbraw/zinc/89/43/22/409894322.db2.gz TYLWQPMLDYPQBQ-QMMMGPOBSA-N 0 3 186.299 1.227 20 0 ADADHN CC[C@H](NCc1ncc[nH]1)C(C)(C)O 382150165 409894732 /nfs/dbraw/zinc/89/47/32/409894732.db2.gz PEDKNVOBLWSSIO-QMMMGPOBSA-N 0 3 197.282 1.049 20 0 ADADHN CC[C@@H](NCc1ncc[nH]1)C(C)(C)O 382150164 409894864 /nfs/dbraw/zinc/89/48/64/409894864.db2.gz PEDKNVOBLWSSIO-MRVPVSSYSA-N 0 3 197.282 1.049 20 0 ADADHN c1cn2c(n1)[C@H](NCCC1CC1)CC2 382228199 409896008 /nfs/dbraw/zinc/89/60/08/409896008.db2.gz OTDWGYOGIJZDEI-SNVBAGLBSA-N 0 3 191.278 1.718 20 0 ADADHN c1cn2c(n1)[C@@H](NCCC1CC1)CC2 382228198 409896708 /nfs/dbraw/zinc/89/67/08/409896708.db2.gz OTDWGYOGIJZDEI-JTQLQIEISA-N 0 3 191.278 1.718 20 0 ADADHN CCc1nocc1CN[C@H](C)CCO 382198360 409898528 /nfs/dbraw/zinc/89/85/28/409898528.db2.gz IXCUDDVFQDBUNS-MRVPVSSYSA-N 0 3 198.266 1.098 20 0 ADADHN CCC(=O)CCCN1C[C@H](C)[C@@H](O)C1 388156367 409948893 /nfs/dbraw/zinc/94/88/93/409948893.db2.gz HOWKYWKARAJZGP-ONGXEEELSA-N 0 3 199.294 1.058 20 0 ADADHN Cc1n[nH]cc1CNC1(C(C)C)CC1 382313346 409900041 /nfs/dbraw/zinc/90/00/41/409900041.db2.gz QVKOQSIDVGYSFU-UHFFFAOYSA-N 0 3 193.294 1.996 20 0 ADADHN Cc1nocc1CNCC1(C)COC1 382330873 409901232 /nfs/dbraw/zinc/90/12/32/409901232.db2.gz WLCOFZGAAQBOLY-UHFFFAOYSA-N 0 3 196.250 1.109 20 0 ADADHN Cc1nocc1CNCC1CC1 382334927 409901533 /nfs/dbraw/zinc/90/15/33/409901533.db2.gz XTPDTSVLIDIEPJ-UHFFFAOYSA-N 0 3 166.224 1.483 20 0 ADADHN Cc1nocc1CNC[C@H]1C[C@@H]1C 382401309 409902624 /nfs/dbraw/zinc/90/26/24/409902624.db2.gz QCHRAQHZIMDELR-IONNQARKSA-N 0 3 180.251 1.729 20 0 ADADHN CC[C@H](NCc1cc[nH]n1)C(C)(C)O 382367467 409903039 /nfs/dbraw/zinc/90/30/39/409903039.db2.gz CJOBSJOYRPEQDV-VIFPVBQESA-N 0 3 197.282 1.049 20 0 ADADHN Cc1nocc1CNC[C@H]1C[C@H]1C 382401310 409903519 /nfs/dbraw/zinc/90/35/19/409903519.db2.gz QCHRAQHZIMDELR-VXNVDRBHSA-N 0 3 180.251 1.729 20 0 ADADHN CC[C@@H](NCc1cc[nH]n1)C(C)(C)O 382367465 409903853 /nfs/dbraw/zinc/90/38/53/409903853.db2.gz CJOBSJOYRPEQDV-SECBINFHSA-N 0 3 197.282 1.049 20 0 ADADHN CCc1nocc1CNC1CC1 382374177 409904066 /nfs/dbraw/zinc/90/40/66/409904066.db2.gz HSYCUAAGKFAJES-UHFFFAOYSA-N 0 3 166.224 1.489 20 0 ADADHN Cc1nocc1CNC[C@@H]1C[C@H]1C 382401307 409904367 /nfs/dbraw/zinc/90/43/67/409904367.db2.gz QCHRAQHZIMDELR-APPZFPTMSA-N 0 3 180.251 1.729 20 0 ADADHN Cc1nocc1CNC[C@@H]1C[C@@H]1C 382401308 409904598 /nfs/dbraw/zinc/90/45/98/409904598.db2.gz QCHRAQHZIMDELR-CBAPKCEASA-N 0 3 180.251 1.729 20 0 ADADHN CCc1nocc1CNCCCCO 382437924 409906138 /nfs/dbraw/zinc/90/61/38/409906138.db2.gz QPASCEUTBUKPLK-UHFFFAOYSA-N 0 3 198.266 1.099 20 0 ADADHN CC[C@@H](C)n1cc([C@](C)(N)CC)nn1 384233291 409909127 /nfs/dbraw/zinc/90/91/27/409909127.db2.gz YFBXRMQIHVTZDD-PSASIEDQSA-N 0 3 196.298 1.833 20 0 ADADHN CC[C@H](C)n1cc([C@@](C)(N)CC)nn1 384233299 409909598 /nfs/dbraw/zinc/90/95/98/409909598.db2.gz YFBXRMQIHVTZDD-WPRPVWTQSA-N 0 3 196.298 1.833 20 0 ADADHN CC[C@@H](C)n1cc([C@@](C)(N)CC)nn1 384233295 409909986 /nfs/dbraw/zinc/90/99/86/409909986.db2.gz YFBXRMQIHVTZDD-SCZZXKLOSA-N 0 3 196.298 1.833 20 0 ADADHN CC[C@H](C)n1cc([C@](C)(N)CC)nn1 384233297 409910042 /nfs/dbraw/zinc/91/00/42/409910042.db2.gz YFBXRMQIHVTZDD-WCBMZHEXSA-N 0 3 196.298 1.833 20 0 ADADHN CCCn1cc([C@@](C)(N)CC)nn1 384197159 409911452 /nfs/dbraw/zinc/91/14/52/409911452.db2.gz JXVIIYYEVAQHSX-VIFPVBQESA-N 0 3 182.271 1.272 20 0 ADADHN CCCn1cc([C@](C)(N)CC)nn1 384197158 409911576 /nfs/dbraw/zinc/91/15/76/409911576.db2.gz JXVIIYYEVAQHSX-SECBINFHSA-N 0 3 182.271 1.272 20 0 ADADHN C[C@H](CCCO)CNCc1ccco1 384797018 409912688 /nfs/dbraw/zinc/91/26/88/409912688.db2.gz XUDSINLQLRTZPG-SNVBAGLBSA-N 0 3 197.278 1.778 20 0 ADADHN CCC(=O)CCCN1C[C@H](O)C[C@@H]1C 384793427 409913299 /nfs/dbraw/zinc/91/32/99/409913299.db2.gz ZNTWMJXVNIYOQP-GXSJLCMTSA-N 0 3 199.294 1.201 20 0 ADADHN CCC(=O)CCCN1C[C@@H](O)C[C@H]1C 384793428 409913615 /nfs/dbraw/zinc/91/36/15/409913615.db2.gz ZNTWMJXVNIYOQP-KOLCDFICSA-N 0 3 199.294 1.201 20 0 ADADHN CCC(=O)CCCN1C[C@H](O)C[C@H]1C 384793429 409914130 /nfs/dbraw/zinc/91/41/30/409914130.db2.gz ZNTWMJXVNIYOQP-MWLCHTKSSA-N 0 3 199.294 1.201 20 0 ADADHN CCC(=O)CCCN1C[C@@H](O)C[C@@H]1C 384793430 409914546 /nfs/dbraw/zinc/91/45/46/409914546.db2.gz ZNTWMJXVNIYOQP-ONGXEEELSA-N 0 3 199.294 1.201 20 0 ADADHN C[C@@H](CCCO)CNCc1ccco1 384797017 409914577 /nfs/dbraw/zinc/91/45/77/409914577.db2.gz XUDSINLQLRTZPG-JTQLQIEISA-N 0 3 197.278 1.778 20 0 ADADHN CC/C=C/CNCc1cn(C)nc1C 384849283 409915877 /nfs/dbraw/zinc/91/58/77/409915877.db2.gz BDLLZEUTUKUOLH-AATRIKPKSA-N 0 3 193.294 1.784 20 0 ADADHN CC/C=C\CNCc1cn(C)nc1C 384849294 409916512 /nfs/dbraw/zinc/91/65/12/409916512.db2.gz BDLLZEUTUKUOLH-WAYWQWQTSA-N 0 3 193.294 1.784 20 0 ADADHN CC[C@H](CO)NCc1ccncc1C 384930905 409920143 /nfs/dbraw/zinc/92/01/43/409920143.db2.gz IJKAUWKYVNMSOO-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@@H](CO)NCc1ccncc1C 384930906 409920339 /nfs/dbraw/zinc/92/03/39/409920339.db2.gz IJKAUWKYVNMSOO-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN Cc1cnccc1CN[C@@H](C)CCO 384965913 409921759 /nfs/dbraw/zinc/92/17/59/409921759.db2.gz OGPZYEYDOKWKIU-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN Cc1cnccc1CN[C@H](C)CCO 384965915 409922686 /nfs/dbraw/zinc/92/26/86/409922686.db2.gz OGPZYEYDOKWKIU-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN Cc1cnccc1CNC(C)(C)CO 385040035 409925925 /nfs/dbraw/zinc/92/59/25/409925925.db2.gz NLFWWCJLRGOSBE-UHFFFAOYSA-N 0 3 194.278 1.251 20 0 ADADHN CC/C=C\CNCc1cncn1C 385259844 409926841 /nfs/dbraw/zinc/92/68/41/409926841.db2.gz YHJHBRQMNNSTQH-PLNGDYQASA-N 0 3 179.267 1.476 20 0 ADADHN CC/C=C\CNCc1ccnn1C 385262345 409927204 /nfs/dbraw/zinc/92/72/04/409927204.db2.gz YQMJNRIPBWFDSJ-PLNGDYQASA-N 0 3 179.267 1.476 20 0 ADADHN CC[C@@H](N)C(=O)N(C)[C@H](C)C1(C)CC1 385415399 409927338 /nfs/dbraw/zinc/92/73/38/409927338.db2.gz XXXWTPOBQMEHAR-RKDXNWHRSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N(C)[C@@H](C)C1(C)CC1 385415396 409927401 /nfs/dbraw/zinc/92/74/01/409927401.db2.gz XXXWTPOBQMEHAR-IUCAKERBSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N(C)[C@H](C)C1(C)CC1 385415392 409927594 /nfs/dbraw/zinc/92/75/94/409927594.db2.gz XXXWTPOBQMEHAR-BDAKNGLRSA-N 0 3 198.310 1.371 20 0 ADADHN CC/C=C/CNCc1cncn1C 385259866 409927836 /nfs/dbraw/zinc/92/78/36/409927836.db2.gz YHJHBRQMNNSTQH-SNAWJCMRSA-N 0 3 179.267 1.476 20 0 ADADHN CC/C=C\CNCc1c[nH]nc1C 385146640 409927889 /nfs/dbraw/zinc/92/78/89/409927889.db2.gz JJWYFMLZXQKYNC-PLNGDYQASA-N 0 3 179.267 1.774 20 0 ADADHN CC/C=C/CNCc1ccnn1C 385262356 409927899 /nfs/dbraw/zinc/92/78/99/409927899.db2.gz YQMJNRIPBWFDSJ-SNAWJCMRSA-N 0 3 179.267 1.476 20 0 ADADHN CC/C=C/CNCc1c[nH]nc1C 385146645 409928068 /nfs/dbraw/zinc/92/80/68/409928068.db2.gz JJWYFMLZXQKYNC-SNAWJCMRSA-N 0 3 179.267 1.774 20 0 ADADHN CC[C@@H](N)C(=O)N(C)[C@@H](C)C1(C)CC1 385415395 409928835 /nfs/dbraw/zinc/92/88/35/409928835.db2.gz XXXWTPOBQMEHAR-DTWKUNHWSA-N 0 3 198.310 1.371 20 0 ADADHN CCN(CCC1CC1)CC(C)=O 385801407 409931764 /nfs/dbraw/zinc/93/17/64/409931764.db2.gz LOVSTAXMEVJCLT-UHFFFAOYSA-N 0 3 169.268 1.697 20 0 ADADHN C[C@@H](CCC(C)(C)C)NC(=O)CN 385994686 409933359 /nfs/dbraw/zinc/93/33/59/409933359.db2.gz JOTNAAMWXBWDNA-QMMMGPOBSA-N 0 3 186.299 1.276 20 0 ADADHN C[C@H](CCC(C)(C)C)NC(=O)CN 385994685 409934878 /nfs/dbraw/zinc/93/48/78/409934878.db2.gz JOTNAAMWXBWDNA-MRVPVSSYSA-N 0 3 186.299 1.276 20 0 ADADHN CC[C@@H](NCc1ccco1)[C@H](C)O 386858305 409940703 /nfs/dbraw/zinc/94/07/03/409940703.db2.gz JBSJEIMGNDIIGE-WCBMZHEXSA-N 0 3 183.251 1.529 20 0 ADADHN CC[C@@H](NCc1ccccn1)[C@@H](C)O 386901790 409939836 /nfs/dbraw/zinc/93/98/36/409939836.db2.gz OUFAPOITCXVLHI-MWLCHTKSSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@@H](NCc1cccnc1)[C@@H](C)O 386826258 409939900 /nfs/dbraw/zinc/93/99/00/409939900.db2.gz HABXAGNFGTXIKA-MWLCHTKSSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](NCc1cccnc1)[C@@H](C)O 386826257 409939991 /nfs/dbraw/zinc/93/99/91/409939991.db2.gz HABXAGNFGTXIKA-KOLCDFICSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@@H](NCc1ccncc1)[C@H](C)O 386806303 409940050 /nfs/dbraw/zinc/94/00/50/409940050.db2.gz CSSNSFLGQYJIJA-GXSJLCMTSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](NCc1ccco1)[C@@H](C)O 386858304 409940360 /nfs/dbraw/zinc/94/03/60/409940360.db2.gz JBSJEIMGNDIIGE-SCZZXKLOSA-N 0 3 183.251 1.529 20 0 ADADHN CC[C@@H](NCc1occc1C)[C@@H](C)O 386831520 409940381 /nfs/dbraw/zinc/94/03/81/409940381.db2.gz HWMLIXFEXOWKRY-NXEZZACHSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@H](NCc1ccc(C)o1)[C@H](C)O 386879544 409940465 /nfs/dbraw/zinc/94/04/65/409940465.db2.gz LYPCLQODECKUFV-ONGXEEELSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@H](NCc1ccccn1)[C@@H](C)O 386901789 409940612 /nfs/dbraw/zinc/94/06/12/409940612.db2.gz OUFAPOITCXVLHI-KOLCDFICSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](NCc1ccsc1)[C@H](C)O 386893512 409940884 /nfs/dbraw/zinc/94/08/84/409940884.db2.gz NTSWZRHSECICBS-WPRPVWTQSA-N 0 3 199.319 1.997 20 0 ADADHN CC[C@H](NCc1ccc(C)o1)[C@@H](C)O 386879542 409940968 /nfs/dbraw/zinc/94/09/68/409940968.db2.gz LYPCLQODECKUFV-KOLCDFICSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@H](NCc1ccsc1)[C@@H](C)O 386893510 409941095 /nfs/dbraw/zinc/94/10/95/409941095.db2.gz NTSWZRHSECICBS-SCZZXKLOSA-N 0 3 199.319 1.997 20 0 ADADHN CC[C@@H](NCc1ccsc1)[C@@H](C)O 386893509 409941105 /nfs/dbraw/zinc/94/11/05/409941105.db2.gz NTSWZRHSECICBS-PSASIEDQSA-N 0 3 199.319 1.997 20 0 ADADHN CC[C@H](NCc1occc1C)[C@H](C)O 386831522 409941146 /nfs/dbraw/zinc/94/11/46/409941146.db2.gz HWMLIXFEXOWKRY-UWVGGRQHSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@@H](NCc1ccccn1)[C@H](C)O 386901787 409941155 /nfs/dbraw/zinc/94/11/55/409941155.db2.gz OUFAPOITCXVLHI-GXSJLCMTSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@@H](NCc1cccnc1)[C@H](C)O 386826256 409941208 /nfs/dbraw/zinc/94/12/08/409941208.db2.gz HABXAGNFGTXIKA-GXSJLCMTSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](NCc1cccnc1)[C@H](C)O 386826259 409941249 /nfs/dbraw/zinc/94/12/49/409941249.db2.gz HABXAGNFGTXIKA-ONGXEEELSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@@H](NCc1occc1C)[C@H](C)O 386831523 409941264 /nfs/dbraw/zinc/94/12/64/409941264.db2.gz HWMLIXFEXOWKRY-VHSXEESVSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@H](NCc1occc1C)[C@@H](C)O 386831524 409941312 /nfs/dbraw/zinc/94/13/12/409941312.db2.gz HWMLIXFEXOWKRY-ZJUUUORDSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@@H](NCc1ccco1)[C@@H](C)O 386858302 409941367 /nfs/dbraw/zinc/94/13/67/409941367.db2.gz JBSJEIMGNDIIGE-PSASIEDQSA-N 0 3 183.251 1.529 20 0 ADADHN CC[C@@H](NCc1ccsc1)[C@H](C)O 386893511 409941396 /nfs/dbraw/zinc/94/13/96/409941396.db2.gz NTSWZRHSECICBS-WCBMZHEXSA-N 0 3 199.319 1.997 20 0 ADADHN CC[C@H](NCc1ccco1)[C@H](C)O 386858307 409941406 /nfs/dbraw/zinc/94/14/06/409941406.db2.gz JBSJEIMGNDIIGE-WPRPVWTQSA-N 0 3 183.251 1.529 20 0 ADADHN CC[C@@H](NCc1ccc(C)o1)[C@@H](C)O 386879543 409941419 /nfs/dbraw/zinc/94/14/19/409941419.db2.gz LYPCLQODECKUFV-MWLCHTKSSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@@H](NCc1ccc(C)o1)[C@H](C)O 386879541 409941553 /nfs/dbraw/zinc/94/15/53/409941553.db2.gz LYPCLQODECKUFV-GXSJLCMTSA-N 0 3 197.278 1.837 20 0 ADADHN CC[C@H](NCc1ccccn1)[C@H](C)O 386901793 409941604 /nfs/dbraw/zinc/94/16/04/409941604.db2.gz OUFAPOITCXVLHI-ONGXEEELSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](NCc1ccncc1)[C@H](C)O 386806307 409941663 /nfs/dbraw/zinc/94/16/63/409941663.db2.gz CSSNSFLGQYJIJA-ONGXEEELSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@@H](NCc1ccncc1)[C@@H](C)O 386806306 409941715 /nfs/dbraw/zinc/94/17/15/409941715.db2.gz CSSNSFLGQYJIJA-MWLCHTKSSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@H](NCc1ccncc1)[C@@H](C)O 386806304 409941792 /nfs/dbraw/zinc/94/17/92/409941792.db2.gz CSSNSFLGQYJIJA-KOLCDFICSA-N 0 3 194.278 1.331 20 0 ADADHN CC[C@@H]1C[C@H]1CNCc1ccn(C)n1 387647093 409942816 /nfs/dbraw/zinc/94/28/16/409942816.db2.gz CKQLPYJASUUZAO-ZJUUUORDSA-N 0 3 193.294 1.556 20 0 ADADHN CC[C@@H]1C[C@H]1CNCc1cn(C)cn1 387717970 409946776 /nfs/dbraw/zinc/94/67/76/409946776.db2.gz OKOGJTOTMRJDJK-ZJUUUORDSA-N 0 3 193.294 1.556 20 0 ADADHN Cc1ccc(CN(C)C[C@@H](C)O)s1 388249495 409948298 /nfs/dbraw/zinc/94/82/98/409948298.db2.gz VOXAEXJGYWRYMW-MRVPVSSYSA-N 0 3 199.319 1.869 20 0 ADADHN CCC(=O)CCCN1C[C@@H](C)[C@@H](O)C1 388156361 409948413 /nfs/dbraw/zinc/94/84/13/409948413.db2.gz HOWKYWKARAJZGP-KOLCDFICSA-N 0 3 199.294 1.058 20 0 ADADHN CCC(=O)CCCN1C[C@H](C)[C@H](O)C1 388156357 409948715 /nfs/dbraw/zinc/94/87/15/409948715.db2.gz HOWKYWKARAJZGP-GXSJLCMTSA-N 0 3 199.294 1.058 20 0 ADADHN CC[C@@H]1C[C@H]1CNCc1ncc[nH]1 388240102 409948839 /nfs/dbraw/zinc/94/88/39/409948839.db2.gz RJTYYTOJQCVSSK-BDAKNGLRSA-N 0 3 179.267 1.545 20 0 ADADHN CCC(=O)CCCN1C[C@@H](O)[C@H](C)C1 388156364 409948923 /nfs/dbraw/zinc/94/89/23/409948923.db2.gz HOWKYWKARAJZGP-MWLCHTKSSA-N 0 3 199.294 1.058 20 0 ADADHN CC[C@@H]1C[C@H]1CNCc1cc[nH]n1 388144547 409950219 /nfs/dbraw/zinc/95/02/19/409950219.db2.gz DCJXPMLCAXSREC-BDAKNGLRSA-N 0 3 179.267 1.545 20 0 ADADHN CCCN(CC)Cc1n[nH]c(C)n1 388315104 409951924 /nfs/dbraw/zinc/95/19/24/409951924.db2.gz UMYIGJMUTGXXAQ-UHFFFAOYSA-N 0 3 182.271 1.345 20 0 ADADHN CO[C@@](C)(CNCCF)C1CC1 388397725 409954059 /nfs/dbraw/zinc/95/40/59/409954059.db2.gz KHYWBKRHSOVZAW-VIFPVBQESA-N 0 3 175.247 1.361 20 0 ADADHN CO[C@](C)(CNCCF)C1CC1 388397724 409954382 /nfs/dbraw/zinc/95/43/82/409954382.db2.gz KHYWBKRHSOVZAW-SECBINFHSA-N 0 3 175.247 1.361 20 0 ADADHN CC(C)CC(=O)NC[C@@H](C)N(C)C 388593624 409957120 /nfs/dbraw/zinc/95/71/20/409957120.db2.gz MWBGPVXPQAGAIE-SECBINFHSA-N 0 3 186.299 1.099 20 0 ADADHN CC(C)CC(=O)NC[C@H](C)N(C)C 388593625 409957144 /nfs/dbraw/zinc/95/71/44/409957144.db2.gz MWBGPVXPQAGAIE-VIFPVBQESA-N 0 3 186.299 1.099 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1CC 388588924 409957175 /nfs/dbraw/zinc/95/71/75/409957175.db2.gz KFSQNEHIZODMCK-KXUCPTDWSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1CC 388588942 409957562 /nfs/dbraw/zinc/95/75/62/409957562.db2.gz KFSQNEHIZODMCK-OPRDCNLKSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H]1CCC[C@@H]1NC(=O)[C@H](N)CC 388588898 409957594 /nfs/dbraw/zinc/95/75/94/409957594.db2.gz KFSQNEHIZODMCK-AEJSXWLSSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H]1CCC[C@H]1NC(=O)[C@H](N)CC 388588904 409957611 /nfs/dbraw/zinc/95/76/11/409957611.db2.gz KFSQNEHIZODMCK-IVZWLZJFSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H]1CCC[C@H]1CC 388588900 409957860 /nfs/dbraw/zinc/95/78/60/409957860.db2.gz KFSQNEHIZODMCK-BBBLOLIVSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1CC 388588931 409957997 /nfs/dbraw/zinc/95/79/97/409957997.db2.gz KFSQNEHIZODMCK-LPEHRKFASA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@H]1CC 388588943 409958390 /nfs/dbraw/zinc/95/83/90/409958390.db2.gz KFSQNEHIZODMCK-UTLUCORTSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1CC 388588903 409958936 /nfs/dbraw/zinc/95/89/36/409958936.db2.gz KFSQNEHIZODMCK-GUBZILKMSA-N 0 3 198.310 1.419 20 0 ADADHN Cc1nnsc1CNCCC(C)C 388577816 409959115 /nfs/dbraw/zinc/95/91/15/409959115.db2.gz AGGXFFZDOKAQFA-UHFFFAOYSA-N 0 3 199.323 1.982 20 0 ADADHN CC(C)n1cncc1CNCCCF 388667327 409959776 /nfs/dbraw/zinc/95/97/76/409959776.db2.gz BZSBPRQKHGKFBM-UHFFFAOYSA-N 0 3 199.273 1.913 20 0 ADADHN Cc1c[nH]nc1CN[C@@H](C)C1CC1 388797244 409962774 /nfs/dbraw/zinc/96/27/74/409962774.db2.gz NNGKZXYHPCUDQF-QMMMGPOBSA-N 0 3 179.267 1.606 20 0 ADADHN Cc1c[nH]nc1CN[C@H](C)C1CC1 388797243 409962834 /nfs/dbraw/zinc/96/28/34/409962834.db2.gz NNGKZXYHPCUDQF-MRVPVSSYSA-N 0 3 179.267 1.606 20 0 ADADHN Cc1nnsc1CN[C@@H](C)C(C)C 388759594 409963172 /nfs/dbraw/zinc/96/31/72/409963172.db2.gz DKVPICGYHQAGLT-ZETCQYMHSA-N 0 3 199.323 1.981 20 0 ADADHN Cc1nnsc1CN[C@H](C)C(C)C 388759592 409963841 /nfs/dbraw/zinc/96/38/41/409963841.db2.gz DKVPICGYHQAGLT-SSDOTTSWSA-N 0 3 199.323 1.981 20 0 ADADHN CCNC(=O)[C@H](N)CC1CCCCC1 388760347 409963897 /nfs/dbraw/zinc/96/38/97/409963897.db2.gz ZQKXYIBDVYVOPQ-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN CCNC(=O)[C@@H](N)CC1CCCCC1 388760346 409963968 /nfs/dbraw/zinc/96/39/68/409963968.db2.gz ZQKXYIBDVYVOPQ-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN CC[C@@H](O)CNCc1cccnc1C 389371064 409970523 /nfs/dbraw/zinc/97/05/23/409970523.db2.gz XOFBMYRSGGNDLP-LLVKDONJSA-N 0 3 194.278 1.251 20 0 ADADHN CC(C)CN(C)C(=O)[C@H]1NCC1(C)C 389936922 409972933 /nfs/dbraw/zinc/97/29/33/409972933.db2.gz NGXVMRIQBYOPSF-SECBINFHSA-N 0 3 198.310 1.099 20 0 ADADHN CC(C)CN(C)C(=O)[C@@H]1NCC1(C)C 389936923 409974323 /nfs/dbraw/zinc/97/43/23/409974323.db2.gz NGXVMRIQBYOPSF-VIFPVBQESA-N 0 3 198.310 1.099 20 0 ADADHN CCC[C@@H]1CCCN(C(=O)CNC)C1 389891897 409974673 /nfs/dbraw/zinc/97/46/73/409974673.db2.gz AGLOERCEJVJYIQ-SNVBAGLBSA-N 0 3 198.310 1.245 20 0 ADADHN CCC[C@H]1CCCN(C(=O)CNC)C1 389891895 409974738 /nfs/dbraw/zinc/97/47/38/409974738.db2.gz AGLOERCEJVJYIQ-JTQLQIEISA-N 0 3 198.310 1.245 20 0 ADADHN CCCC[C@H](NC(=O)CN)C1CCC1 389977262 409975256 /nfs/dbraw/zinc/97/52/56/409975256.db2.gz GMEVEMRFRLVCJG-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN COC[C@H](C)NCc1ccnc(C)c1 391185231 409975778 /nfs/dbraw/zinc/97/57/78/409975778.db2.gz VVOXVPLJPIQLNX-JTQLQIEISA-N 0 3 194.278 1.515 20 0 ADADHN C[C@H]1CCCC[C@@H]1CCNC(=O)CN 390006376 409976529 /nfs/dbraw/zinc/97/65/29/409976529.db2.gz WXTYDLUFGKFQHF-VHSXEESVSA-N 0 3 198.310 1.278 20 0 ADADHN CCCC1(CNC(=O)[C@@H](C)N)CCC1 391909833 409976561 /nfs/dbraw/zinc/97/65/61/409976561.db2.gz MFSCXSMWXJGYCQ-SECBINFHSA-N 0 3 198.310 1.420 20 0 ADADHN C[C@@H]1CCCC[C@H]1CCNC(=O)CN 390006377 409976589 /nfs/dbraw/zinc/97/65/89/409976589.db2.gz WXTYDLUFGKFQHF-ZJUUUORDSA-N 0 3 198.310 1.278 20 0 ADADHN CC[C@H](O)CNCc1ccnc(C)c1 391172618 409976649 /nfs/dbraw/zinc/97/66/49/409976649.db2.gz LUSNGDUXCQHYPT-NSHDSACASA-N 0 3 194.278 1.251 20 0 ADADHN CCCC[C@@H](NC(=O)CN)C1CCC1 389977263 409976665 /nfs/dbraw/zinc/97/66/65/409976665.db2.gz GMEVEMRFRLVCJG-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN CCC(CC)(CC)CNC(=O)CN 391258082 409977452 /nfs/dbraw/zinc/97/74/52/409977452.db2.gz SQJAQMANQGYOPO-UHFFFAOYSA-N 0 3 186.299 1.278 20 0 ADADHN CC(C)CC1(CNC(=O)[C@@H](C)N)CC1 392064836 409977515 /nfs/dbraw/zinc/97/75/15/409977515.db2.gz KVLTZCCQLCQSRG-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN CNCC(=O)NCC1(CC(C)C)CC1 392095712 409977616 /nfs/dbraw/zinc/97/76/16/409977616.db2.gz WHBAIEHDDKRUHI-UHFFFAOYSA-N 0 3 198.310 1.148 20 0 ADADHN CCCC1(CNC(=O)[C@H](C)N)CCC1 391909835 409977687 /nfs/dbraw/zinc/97/76/87/409977687.db2.gz MFSCXSMWXJGYCQ-VIFPVBQESA-N 0 3 198.310 1.420 20 0 ADADHN CCCC1(CNC(=O)CN)CCC1 391903910 409977713 /nfs/dbraw/zinc/97/77/13/409977713.db2.gz IDOIVJSPWIRACY-UHFFFAOYSA-N 0 3 184.283 1.032 20 0 ADADHN C[C@H]1CCCC[C@H]1CCNC(=O)CN 390006373 409977767 /nfs/dbraw/zinc/97/77/67/409977767.db2.gz WXTYDLUFGKFQHF-UWVGGRQHSA-N 0 3 198.310 1.278 20 0 ADADHN CCCC1(CNC(=O)CNC)CCC1 391928725 409978111 /nfs/dbraw/zinc/97/81/11/409978111.db2.gz YYKSLYWOPQGARV-UHFFFAOYSA-N 0 3 198.310 1.292 20 0 ADADHN C[C@@H]1CCCC[C@@H]1CCNC(=O)CN 390006372 409978129 /nfs/dbraw/zinc/97/81/29/409978129.db2.gz WXTYDLUFGKFQHF-NXEZZACHSA-N 0 3 198.310 1.278 20 0 ADADHN CC(C)CC1(CNC(=O)[C@H](C)N)CC1 392064837 409978164 /nfs/dbraw/zinc/97/81/64/409978164.db2.gz KVLTZCCQLCQSRG-VIFPVBQESA-N 0 3 198.310 1.276 20 0 ADADHN CCc1nnc(CN[C@@H](C)C2CC2)[nH]1 392490082 409979094 /nfs/dbraw/zinc/97/90/94/409979094.db2.gz XPCBMXSCGKBGOY-ZETCQYMHSA-N 0 3 194.282 1.255 20 0 ADADHN CCc1nnc(C[NH2+][C@@H](C)C2CC2)[n-]1 392490082 409979100 /nfs/dbraw/zinc/97/91/00/409979100.db2.gz XPCBMXSCGKBGOY-ZETCQYMHSA-N 0 3 194.282 1.255 20 0 ADADHN CCc1nnc(CNC[C@H](C)CC)[nH]1 392463658 409979315 /nfs/dbraw/zinc/97/93/15/409979315.db2.gz OUBAEGVQJXXGNH-MRVPVSSYSA-N 0 3 196.298 1.503 20 0 ADADHN CCc1nnc(C[NH2+]C[C@H](C)CC)[n-]1 392463658 409979322 /nfs/dbraw/zinc/97/93/22/409979322.db2.gz OUBAEGVQJXXGNH-MRVPVSSYSA-N 0 3 196.298 1.503 20 0 ADADHN CCc1nc(CNC2CC(C)C2)n[nH]1 392471932 409979518 /nfs/dbraw/zinc/97/95/18/409979518.db2.gz QSOMHEYAYCEZIA-UHFFFAOYSA-N 0 3 194.282 1.255 20 0 ADADHN CCc1nnc(C[NH2+]C2CC(C)C2)[n-]1 392471932 409979526 /nfs/dbraw/zinc/97/95/26/409979526.db2.gz QSOMHEYAYCEZIA-UHFFFAOYSA-N 0 3 194.282 1.255 20 0 ADADHN CCc1nnc(CN[C@H](C)C2CC2)[nH]1 392490080 409979656 /nfs/dbraw/zinc/97/96/56/409979656.db2.gz XPCBMXSCGKBGOY-SSDOTTSWSA-N 0 3 194.282 1.255 20 0 ADADHN CCc1nnc(C[NH2+][C@H](C)C2CC2)[n-]1 392490080 409979665 /nfs/dbraw/zinc/97/96/65/409979665.db2.gz XPCBMXSCGKBGOY-SSDOTTSWSA-N 0 3 194.282 1.255 20 0 ADADHN CCc1nnc(CNC(CC)CC)[nH]1 392448790 409979696 /nfs/dbraw/zinc/97/96/96/409979696.db2.gz FPBFHZJSOPZRCZ-UHFFFAOYSA-N 0 3 196.298 1.645 20 0 ADADHN CCc1nnc(C[NH2+]C(CC)CC)[n-]1 392448790 409979702 /nfs/dbraw/zinc/97/97/02/409979702.db2.gz FPBFHZJSOPZRCZ-UHFFFAOYSA-N 0 3 196.298 1.645 20 0 ADADHN CCc1nnc(CNC[C@@H](C)CC)[nH]1 392463659 409979836 /nfs/dbraw/zinc/97/98/36/409979836.db2.gz OUBAEGVQJXXGNH-QMMMGPOBSA-N 0 3 196.298 1.503 20 0 ADADHN CCc1nnc(C[NH2+]C[C@@H](C)CC)[n-]1 392463659 409979841 /nfs/dbraw/zinc/97/98/41/409979841.db2.gz OUBAEGVQJXXGNH-QMMMGPOBSA-N 0 3 196.298 1.503 20 0 ADADHN C[C@H](N)C(=O)NCC1(C2CC2)CCC1 393354889 409981924 /nfs/dbraw/zinc/98/19/24/409981924.db2.gz NAPOKXYPTCXBKV-QMMMGPOBSA-N 0 3 196.294 1.030 20 0 ADADHN CCC[C@H](O)CNCc1conc1C 393497848 409983938 /nfs/dbraw/zinc/98/39/38/409983938.db2.gz WZMWZXBQXHPMEO-JTQLQIEISA-N 0 3 198.266 1.234 20 0 ADADHN CC(C)C1(NCc2ccn(C)n2)CC1 393483092 409984726 /nfs/dbraw/zinc/98/47/26/409984726.db2.gz LFWHUOQRTCMHQR-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN CC(C)C1(NCc2cnnn2C)CC1 393474296 409984736 /nfs/dbraw/zinc/98/47/36/409984736.db2.gz HJXJPTWLUHGDPW-UHFFFAOYSA-N 0 3 194.282 1.093 20 0 ADADHN CCC[C@@H](O)CNCc1conc1C 393497849 409984883 /nfs/dbraw/zinc/98/48/83/409984883.db2.gz WZMWZXBQXHPMEO-SNVBAGLBSA-N 0 3 198.266 1.234 20 0 ADADHN CCc1nocc1CNCC(C)C 393483358 409985263 /nfs/dbraw/zinc/98/52/63/409985263.db2.gz WDPLMEVIKBITOY-UHFFFAOYSA-N 0 3 182.267 1.983 20 0 ADADHN COC1CC(NCc2conc2C)C1 393507656 409985695 /nfs/dbraw/zinc/98/56/95/409985695.db2.gz YANMCPKWIJMTDB-UHFFFAOYSA-N 0 3 196.250 1.250 20 0 ADADHN Cc1cc(CN(C)CCCO)cs1 393538177 409987633 /nfs/dbraw/zinc/98/76/33/409987633.db2.gz MJYQJVDTNWSDDL-UHFFFAOYSA-N 0 3 199.319 1.871 20 0 ADADHN CC[C@@H](C)CNCc1snnc1C 393703812 409990416 /nfs/dbraw/zinc/99/04/16/409990416.db2.gz LFQVQCUFNJUREX-SSDOTTSWSA-N 0 3 199.323 1.982 20 0 ADADHN CC(C)(C)CCCCNC(=O)CN 393687779 409990703 /nfs/dbraw/zinc/99/07/03/409990703.db2.gz HIVUBBUAXHCLFE-UHFFFAOYSA-N 0 3 186.299 1.278 20 0 ADADHN CC(C)CCC(=O)NCCN(C)C 393712137 409991257 /nfs/dbraw/zinc/99/12/57/409991257.db2.gz RTQZFFOPTZNEJC-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CC[C@H](C)CNCc1snnc1C 393703813 409991371 /nfs/dbraw/zinc/99/13/71/409991371.db2.gz LFQVQCUFNJUREX-ZETCQYMHSA-N 0 3 199.323 1.982 20 0 ADADHN CCc1nocc1CNC[C@H]1C[C@H]1C 393902564 409992396 /nfs/dbraw/zinc/99/23/96/409992396.db2.gz ICBCQABMNPKDMR-RKDXNWHRSA-N 0 3 194.278 1.983 20 0 ADADHN CCc1nocc1CNCC1CC1 393927416 409993481 /nfs/dbraw/zinc/99/34/81/409993481.db2.gz HYHCVQAGTSWLHM-UHFFFAOYSA-N 0 3 180.251 1.737 20 0 ADADHN CC[C@@H](CO)N(C)Cc1ccco1 393918049 409993514 /nfs/dbraw/zinc/99/35/14/409993514.db2.gz NTTVQAUZHNPPDR-VIFPVBQESA-N 0 3 183.251 1.482 20 0 ADADHN CCc1nocc1CNC[C@@H]1C[C@H]1C 393902559 409993554 /nfs/dbraw/zinc/99/35/54/409993554.db2.gz ICBCQABMNPKDMR-BDAKNGLRSA-N 0 3 194.278 1.983 20 0 ADADHN CCc1nocc1CNC[C@@H]1C[C@@H]1C 393902563 409993584 /nfs/dbraw/zinc/99/35/84/409993584.db2.gz ICBCQABMNPKDMR-IUCAKERBSA-N 0 3 194.278 1.983 20 0 ADADHN CC[C@H](CO)N(C)Cc1ccco1 393918047 409993904 /nfs/dbraw/zinc/99/39/04/409993904.db2.gz NTTVQAUZHNPPDR-SECBINFHSA-N 0 3 183.251 1.482 20 0 ADADHN CCc1nocc1CNC[C@H]1C[C@@H]1C 393902561 409994090 /nfs/dbraw/zinc/99/40/90/409994090.db2.gz ICBCQABMNPKDMR-DTWKUNHWSA-N 0 3 194.278 1.983 20 0 ADADHN CC(C)C1(NCc2ccnn2C)CC1 393943340 409997374 /nfs/dbraw/zinc/99/73/74/409997374.db2.gz JLXKOCLPSKOWSD-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN CCc1nocc1CNCCCOC 393948773 409997420 /nfs/dbraw/zinc/99/74/20/409997420.db2.gz VFFZRIVYQNJMHQ-UHFFFAOYSA-N 0 3 198.266 1.363 20 0 ADADHN CC[C@H](NCCO)c1ccsc1 394259042 409997457 /nfs/dbraw/zinc/99/74/57/409997457.db2.gz JYACZNXAOCHCGI-VIFPVBQESA-N 0 3 185.292 1.781 20 0 ADADHN CC[C@@H](CO)N(C)Cc1ccccn1 393948932 409997470 /nfs/dbraw/zinc/99/74/70/409997470.db2.gz PUSMTTVIPXXUCU-NSHDSACASA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@H](CO)N(C)Cc1ccccn1 393948931 409997551 /nfs/dbraw/zinc/99/75/51/409997551.db2.gz PUSMTTVIPXXUCU-LLVKDONJSA-N 0 3 194.278 1.284 20 0 ADADHN CC[C@@H](NCCO)c1ccsc1 394259041 409997624 /nfs/dbraw/zinc/99/76/24/409997624.db2.gz JYACZNXAOCHCGI-SECBINFHSA-N 0 3 185.292 1.781 20 0 ADADHN CC/C=C\CNCc1c(C)cnn1C 394791445 409999116 /nfs/dbraw/zinc/99/91/16/409999116.db2.gz BDRUYWJYEUOZPN-WAYWQWQTSA-N 0 3 193.294 1.784 20 0 ADADHN CCC1(NCc2c(C)cnn2C)CC1 394860466 409999675 /nfs/dbraw/zinc/99/96/75/409999675.db2.gz PHTKILJMTNZAGY-UHFFFAOYSA-N 0 3 193.294 1.761 20 0 ADADHN CC/C=C/CNCc1c(C)cnn1C 394791443 410000195 /nfs/dbraw/zinc/00/01/95/410000195.db2.gz BDRUYWJYEUOZPN-AATRIKPKSA-N 0 3 193.294 1.784 20 0 ADADHN CCCCNCc1ccnc(OC)n1 395127793 410001792 /nfs/dbraw/zinc/00/17/92/410001792.db2.gz PHJRRKGOPFIMSF-UHFFFAOYSA-N 0 3 195.266 1.375 20 0 ADADHN CC/C=C/CNCc1cnn(C)c1 395026295 410001877 /nfs/dbraw/zinc/00/18/77/410001877.db2.gz OVOUDRCOQYRTDN-SNAWJCMRSA-N 0 3 179.267 1.476 20 0 ADADHN COc1nccc(CNC(C)(C)C)n1 395115555 410002278 /nfs/dbraw/zinc/00/22/78/410002278.db2.gz GEFIDWMBVUBQNT-UHFFFAOYSA-N 0 3 195.266 1.373 20 0 ADADHN COc1nccc(CNCC(C)C)n1 395121410 410002763 /nfs/dbraw/zinc/00/27/63/410002763.db2.gz KUIDHXSQPUSJAW-UHFFFAOYSA-N 0 3 195.266 1.231 20 0 ADADHN CC(C)(CO)CCNCc1ccco1 395113116 410002973 /nfs/dbraw/zinc/00/29/73/410002973.db2.gz PTXPRLRSTCFAHR-UHFFFAOYSA-N 0 3 197.278 1.778 20 0 ADADHN CC[C@H](C)NCc1ccnc(OC)n1 395132796 410003001 /nfs/dbraw/zinc/00/30/01/410003001.db2.gz SLBIOCIWUXVDSW-QMMMGPOBSA-N 0 3 195.266 1.373 20 0 ADADHN CC[C@@H](C)NCc1ccnc(OC)n1 395132795 410003103 /nfs/dbraw/zinc/00/31/03/410003103.db2.gz SLBIOCIWUXVDSW-MRVPVSSYSA-N 0 3 195.266 1.373 20 0 ADADHN CC/C=C\CNCc1cnn(C)c1 395026289 410003175 /nfs/dbraw/zinc/00/31/75/410003175.db2.gz OVOUDRCOQYRTDN-PLNGDYQASA-N 0 3 179.267 1.476 20 0 ADADHN CC/C=C\CNCc1ccnn1CC 395268051 410004567 /nfs/dbraw/zinc/00/45/67/410004567.db2.gz ZUCSBWTXPRAZLB-WAYWQWQTSA-N 0 3 193.294 1.959 20 0 ADADHN CC/C=C\CNCc1cnn(CC)c1 395214781 410005024 /nfs/dbraw/zinc/00/50/24/410005024.db2.gz KDMQFXKIQUHQMU-WAYWQWQTSA-N 0 3 193.294 1.959 20 0 ADADHN CC/C=C/CNCc1ccnn1CC 395268050 410005230 /nfs/dbraw/zinc/00/52/30/410005230.db2.gz ZUCSBWTXPRAZLB-AATRIKPKSA-N 0 3 193.294 1.959 20 0 ADADHN CC/C=C/CNCc1cnn(CC)c1 395214777 410005434 /nfs/dbraw/zinc/00/54/34/410005434.db2.gz KDMQFXKIQUHQMU-AATRIKPKSA-N 0 3 193.294 1.959 20 0 ADADHN CC[C@H](C)N[C@H](C)c1ccncn1 395803875 410007158 /nfs/dbraw/zinc/00/71/58/410007158.db2.gz BFKMTVSTFTZKDT-DTWKUNHWSA-N 0 3 179.267 1.926 20 0 ADADHN C[C@@H](NCC1CCC1)c1ccncn1 396036994 410007278 /nfs/dbraw/zinc/00/72/78/410007278.db2.gz OYEXLVHNBUJWCV-SECBINFHSA-N 0 3 191.278 1.927 20 0 ADADHN CCCCN[C@H](C)c1ccncn1 395912592 410007345 /nfs/dbraw/zinc/00/73/45/410007345.db2.gz POKYMGPLPKMGJA-SECBINFHSA-N 0 3 179.267 1.927 20 0 ADADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccncn1 395876963 410007374 /nfs/dbraw/zinc/00/73/74/410007374.db2.gz FTZFDYHPZPVWCQ-KXUCPTDWSA-N 0 3 191.278 1.783 20 0 ADADHN C[C@H](N[C@H](C)c1ccncn1)C1CC1 396066797 410007458 /nfs/dbraw/zinc/00/74/58/410007458.db2.gz ZQGZRUKRGWDVQC-DTWKUNHWSA-N 0 3 191.278 1.926 20 0 ADADHN CO[C@H](CNC1CSC1)C1CC1 396449935 410007593 /nfs/dbraw/zinc/00/75/93/410007593.db2.gz LEXUNSAWHYXACS-SECBINFHSA-N 0 3 187.308 1.116 20 0 ADADHN OCC1(CCNCc2ccco2)CC1 395892420 410007689 /nfs/dbraw/zinc/00/76/89/410007689.db2.gz GHFXTYBXYXUMEM-UHFFFAOYSA-N 0 3 195.262 1.532 20 0 ADADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccncn1 395876966 410007733 /nfs/dbraw/zinc/00/77/33/410007733.db2.gz FTZFDYHPZPVWCQ-UTLUCORTSA-N 0 3 191.278 1.783 20 0 ADADHN CO[C@@H](CNC1CSC1)C1CC1 396449937 410007791 /nfs/dbraw/zinc/00/77/91/410007791.db2.gz LEXUNSAWHYXACS-VIFPVBQESA-N 0 3 187.308 1.116 20 0 ADADHN CCC[C@H](CNC1CSC1)OC 396438256 410007886 /nfs/dbraw/zinc/00/78/86/410007886.db2.gz BKESZUJGVMIIGV-SECBINFHSA-N 0 3 189.324 1.507 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1ccncn1 396066796 410008002 /nfs/dbraw/zinc/00/80/02/410008002.db2.gz ZQGZRUKRGWDVQC-BDAKNGLRSA-N 0 3 191.278 1.926 20 0 ADADHN CC[C@H](C)N[C@@H](C)c1ccncn1 395803878 410008137 /nfs/dbraw/zinc/00/81/37/410008137.db2.gz BFKMTVSTFTZKDT-IUCAKERBSA-N 0 3 179.267 1.926 20 0 ADADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccncn1 395876962 410008187 /nfs/dbraw/zinc/00/81/87/410008187.db2.gz FTZFDYHPZPVWCQ-GUBZILKMSA-N 0 3 191.278 1.783 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccncn1 395876964 410008406 /nfs/dbraw/zinc/00/84/06/410008406.db2.gz FTZFDYHPZPVWCQ-LPEHRKFASA-N 0 3 191.278 1.783 20 0 ADADHN CC[C@@H](C)N[C@@H](C)c1ccncn1 395803873 410008488 /nfs/dbraw/zinc/00/84/88/410008488.db2.gz BFKMTVSTFTZKDT-BDAKNGLRSA-N 0 3 179.267 1.926 20 0 ADADHN C[C@H](NCC1CCC1)c1ccncn1 396036995 410008500 /nfs/dbraw/zinc/00/85/00/410008500.db2.gz OYEXLVHNBUJWCV-VIFPVBQESA-N 0 3 191.278 1.927 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1ccncn1 396066799 410008522 /nfs/dbraw/zinc/00/85/22/410008522.db2.gz ZQGZRUKRGWDVQC-RKDXNWHRSA-N 0 3 191.278 1.926 20 0 ADADHN CC(C)CN[C@@H](C)c1ccncn1 395934686 410008562 /nfs/dbraw/zinc/00/85/62/410008562.db2.gz YZFYUSZUMOJGAS-VIFPVBQESA-N 0 3 179.267 1.783 20 0 ADADHN C[C@H](N[C@@H](C)C1CC1)c1ccncn1 396066798 410008605 /nfs/dbraw/zinc/00/86/05/410008605.db2.gz ZQGZRUKRGWDVQC-IUCAKERBSA-N 0 3 191.278 1.926 20 0 ADADHN CC(C)CN[C@H](C)c1ccncn1 395934685 410008777 /nfs/dbraw/zinc/00/87/77/410008777.db2.gz YZFYUSZUMOJGAS-SECBINFHSA-N 0 3 179.267 1.783 20 0 ADADHN CCC[C@@H](CNC1CSC1)OC 396438257 410008814 /nfs/dbraw/zinc/00/88/14/410008814.db2.gz BKESZUJGVMIIGV-VIFPVBQESA-N 0 3 189.324 1.507 20 0 ADADHN CC[C@@H](C)N[C@H](C)c1ccncn1 395803880 410008924 /nfs/dbraw/zinc/00/89/24/410008924.db2.gz BFKMTVSTFTZKDT-RKDXNWHRSA-N 0 3 179.267 1.926 20 0 ADADHN CCCCN[C@@H](C)c1ccncn1 395912593 410009090 /nfs/dbraw/zinc/00/90/90/410009090.db2.gz POKYMGPLPKMGJA-VIFPVBQESA-N 0 3 179.267 1.927 20 0 ADADHN COC(=O)CN1CCC[C@H]1CC(C)C 396765117 410010668 /nfs/dbraw/zinc/01/06/68/410010668.db2.gz WIVZCBVNLSSFDT-JTQLQIEISA-N 0 3 199.294 1.670 20 0 ADADHN COC(=O)CN1CCC[C@@H]1CC(C)C 396765120 410011033 /nfs/dbraw/zinc/01/10/33/410011033.db2.gz WIVZCBVNLSSFDT-SNVBAGLBSA-N 0 3 199.294 1.670 20 0 ADADHN Cc1cc(C)c(CNC[C@H](C)O)cn1 397011413 410011509 /nfs/dbraw/zinc/01/15/09/410011509.db2.gz CIYNEYXSKVNYNN-JTQLQIEISA-N 0 3 194.278 1.169 20 0 ADADHN Cc1cc(C)c(CNC[C@@H](C)O)cn1 397011414 410012515 /nfs/dbraw/zinc/01/25/15/410012515.db2.gz CIYNEYXSKVNYNN-SNVBAGLBSA-N 0 3 194.278 1.169 20 0 ADADHN C[C@@H](CCO)CCNCc1ccco1 397740092 410014741 /nfs/dbraw/zinc/01/47/41/410014741.db2.gz HTJRQNWAWCXXJX-SNVBAGLBSA-N 0 3 197.278 1.778 20 0 ADADHN C[C@H](CCO)CCNCc1ccco1 397740090 410015877 /nfs/dbraw/zinc/01/58/77/410015877.db2.gz HTJRQNWAWCXXJX-JTQLQIEISA-N 0 3 197.278 1.778 20 0 ADADHN CC[C@H](N)C(=O)N[C@H](C)CCC1CC1 398204998 410019519 /nfs/dbraw/zinc/01/95/19/410019519.db2.gz XOAHFCRVIIDGQX-SCZZXKLOSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@H](N)C(=O)N[C@@H](C)CCC1CC1 398205001 410019598 /nfs/dbraw/zinc/01/95/98/410019598.db2.gz XOAHFCRVIIDGQX-WPRPVWTQSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](CCC1CC1)NC(=O)C1(N)CC1 398201636 410019624 /nfs/dbraw/zinc/01/96/24/410019624.db2.gz WIJHIOMRMCBGIT-MRVPVSSYSA-N 0 3 196.294 1.173 20 0 ADADHN CC[C@@H](N)C(=O)N[C@@H](C)CCC1CC1 398204999 410019935 /nfs/dbraw/zinc/01/99/35/410019935.db2.gz XOAHFCRVIIDGQX-WCBMZHEXSA-N 0 3 198.310 1.419 20 0 ADADHN C[C@H](CCC1CC1)NC(=O)[C@@H](C)N 398078399 410020046 /nfs/dbraw/zinc/02/00/46/410020046.db2.gz CMSINSOSBKZLFH-HTQZYQBOSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](CCC1CC1)NC(=O)[C@H](C)N 398078402 410020108 /nfs/dbraw/zinc/02/01/08/410020108.db2.gz CMSINSOSBKZLFH-YUMQZZPRSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](CCC1CC1)NC(=O)C1(N)CC1 398201637 410020119 /nfs/dbraw/zinc/02/01/19/410020119.db2.gz WIJHIOMRMCBGIT-QMMMGPOBSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@H](N)C(=O)N[C@H](C)CCC1CC1 398078401 410020651 /nfs/dbraw/zinc/02/06/51/410020651.db2.gz CMSINSOSBKZLFH-SFYZADRCSA-N 0 3 184.283 1.029 20 0 ADADHN C[C@@H](CCC1CC1)NC(=O)[C@@H](C)N 398078400 410020712 /nfs/dbraw/zinc/02/07/12/410020712.db2.gz CMSINSOSBKZLFH-JGVFFNPUSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](N)C(=O)N[C@H](C)CCC1CC1 398204996 410021848 /nfs/dbraw/zinc/02/18/48/410021848.db2.gz XOAHFCRVIIDGQX-PSASIEDQSA-N 0 3 198.310 1.419 20 0 ADADHN CC[C@@H](C)NC(=O)[C@@H](N)C1CCC1 399072912 410022922 /nfs/dbraw/zinc/02/29/22/410022922.db2.gz MKOOSLTVSKWCQP-APPZFPTMSA-N 0 3 184.283 1.029 20 0 ADADHN N[C@@H](C(=O)NCC1CCC1)C1CCC1 399127242 410023284 /nfs/dbraw/zinc/02/32/84/410023284.db2.gz LBJLPHPDDQZRSX-SNVBAGLBSA-N 0 3 196.294 1.030 20 0 ADADHN CC[C@H](C)NC(=O)[C@@H](N)C1CCC1 399072913 410023485 /nfs/dbraw/zinc/02/34/85/410023485.db2.gz MKOOSLTVSKWCQP-CBAPKCEASA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@H](C)NC(=O)[C@H](N)C1CCC1 399072914 410024569 /nfs/dbraw/zinc/02/45/69/410024569.db2.gz MKOOSLTVSKWCQP-IONNQARKSA-N 0 3 184.283 1.029 20 0 ADADHN CC[C@@H](C)NC(=O)[C@H](N)C1CCC1 399072915 410024935 /nfs/dbraw/zinc/02/49/35/410024935.db2.gz MKOOSLTVSKWCQP-VXNVDRBHSA-N 0 3 184.283 1.029 20 0 ADADHN N[C@H](C(=O)NCC1CCC1)C1CCC1 399127240 410024947 /nfs/dbraw/zinc/02/49/47/410024947.db2.gz LBJLPHPDDQZRSX-JTQLQIEISA-N 0 3 196.294 1.030 20 0 ADADHN CCCCNC(=O)[C@H](N)C1CCC1 399024759 410025167 /nfs/dbraw/zinc/02/51/67/410025167.db2.gz IYZSQLUNVDZCJY-SECBINFHSA-N 0 3 184.283 1.030 20 0 ADADHN CCCCNC(=O)[C@@H](N)C1CCC1 399024760 410025358 /nfs/dbraw/zinc/02/53/58/410025358.db2.gz IYZSQLUNVDZCJY-VIFPVBQESA-N 0 3 184.283 1.030 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@](C)(CC)C1 399288860 410025942 /nfs/dbraw/zinc/02/59/42/410025942.db2.gz FXEALVYRQOYKTF-KOLCDFICSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](N)C(=O)N1CC[C@@](C)(CC)C1 399288861 410026091 /nfs/dbraw/zinc/02/60/91/410026091.db2.gz FXEALVYRQOYKTF-MWLCHTKSSA-N 0 3 198.310 1.372 20 0 ADADHN CCC[C@H](C)NC(=O)[C@@H](N)C1CCC1 399227368 410026581 /nfs/dbraw/zinc/02/65/81/410026581.db2.gz NULLWOXCJISSLN-WPRPVWTQSA-N 0 3 198.310 1.419 20 0 ADADHN CCC(CC)NC(=O)[C@@H](N)C1CCC1 399159932 410026778 /nfs/dbraw/zinc/02/67/78/410026778.db2.gz CJOSGGWNADHZIH-JTQLQIEISA-N 0 3 198.310 1.419 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@H](N)C1CCC1 399227364 410026819 /nfs/dbraw/zinc/02/68/19/410026819.db2.gz NULLWOXCJISSLN-PSASIEDQSA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)CN(C)C(=O)[C@@H](N)C1CCC1 399172956 410026840 /nfs/dbraw/zinc/02/68/40/410026840.db2.gz GXEHXXOMQPYHCC-JTQLQIEISA-N 0 3 198.310 1.228 20 0 ADADHN CCC[C@H](C)NC(=O)[C@H](N)C1CCC1 399227367 410027076 /nfs/dbraw/zinc/02/70/76/410027076.db2.gz NULLWOXCJISSLN-WCBMZHEXSA-N 0 3 198.310 1.419 20 0 ADADHN CCCCCNC(=O)[C@H](N)C1CCC1 399176411 410027135 /nfs/dbraw/zinc/02/71/35/410027135.db2.gz HVTIMXWVSHCWOF-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN CC(C)(C)CNC(=O)[C@@H](N)C1CCC1 399219380 410027212 /nfs/dbraw/zinc/02/72/12/410027212.db2.gz KCZHOGLJRLSXRX-VIFPVBQESA-N 0 3 198.310 1.276 20 0 ADADHN CC(C)CCNC(=O)[C@@H](N)C1CCC1 399227987 410027356 /nfs/dbraw/zinc/02/73/56/410027356.db2.gz NZXVWOIPRSBDOS-JTQLQIEISA-N 0 3 198.310 1.276 20 0 ADADHN CCCCN(C)C(=O)[C@@H](N)C1CCC1 399216463 410027443 /nfs/dbraw/zinc/02/74/43/410027443.db2.gz IZGHQORZVMCVHM-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)(C)CNC(=O)[C@H](N)C1CCC1 399219379 410027641 /nfs/dbraw/zinc/02/76/41/410027641.db2.gz KCZHOGLJRLSXRX-SECBINFHSA-N 0 3 198.310 1.276 20 0 ADADHN CCCCN(C)C(=O)[C@H](N)C1CCC1 399216465 410027859 /nfs/dbraw/zinc/02/78/59/410027859.db2.gz IZGHQORZVMCVHM-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN N[C@@H](C(=O)NCCC1CC1)C1CCC1 399228810 410028039 /nfs/dbraw/zinc/02/80/39/410028039.db2.gz OGUUJVGVLWCYOT-SNVBAGLBSA-N 0 3 196.294 1.030 20 0 ADADHN CCCN(CC)C(=O)[C@@H](N)C1CCC1 399178297 410028051 /nfs/dbraw/zinc/02/80/51/410028051.db2.gz INZAOAOPZINNQL-JTQLQIEISA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CN(C)C(=O)[C@H](N)C1CCC1 399172968 410028137 /nfs/dbraw/zinc/02/81/37/410028137.db2.gz GXEHXXOMQPYHCC-SNVBAGLBSA-N 0 3 198.310 1.228 20 0 ADADHN CCC[C@@H](C)NC(=O)[C@@H](N)C1CCC1 399227366 410028217 /nfs/dbraw/zinc/02/82/17/410028217.db2.gz NULLWOXCJISSLN-SCZZXKLOSA-N 0 3 198.310 1.419 20 0 ADADHN CCCCCNC(=O)[C@@H](N)C1CCC1 399176405 410028251 /nfs/dbraw/zinc/02/82/51/410028251.db2.gz HVTIMXWVSHCWOF-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN CCC(CC)NC(=O)[C@H](N)C1CCC1 399159941 410028283 /nfs/dbraw/zinc/02/82/83/410028283.db2.gz CJOSGGWNADHZIH-SNVBAGLBSA-N 0 3 198.310 1.419 20 0 ADADHN CCCN(CC)C(=O)[C@H](N)C1CCC1 399178299 410028298 /nfs/dbraw/zinc/02/82/98/410028298.db2.gz INZAOAOPZINNQL-SNVBAGLBSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CCNC(=O)[C@H](N)C1CCC1 399227991 410028427 /nfs/dbraw/zinc/02/84/27/410028427.db2.gz NZXVWOIPRSBDOS-SNVBAGLBSA-N 0 3 198.310 1.276 20 0 ADADHN N[C@H](C(=O)NCCC1CC1)C1CCC1 399228802 410028484 /nfs/dbraw/zinc/02/84/84/410028484.db2.gz OGUUJVGVLWCYOT-JTQLQIEISA-N 0 3 196.294 1.030 20 0 ADADHN CC[C@H]1C[C@@H](C)CN1C(=O)[C@H](N)CC 399601420 410029202 /nfs/dbraw/zinc/02/92/02/410029202.db2.gz ODRZNBNVKIPBHF-KXUCPTDWSA-N 0 3 198.310 1.371 20 0 ADADHN c1cc(CNCC[C@H]2CCOC2)on1 400541052 410029456 /nfs/dbraw/zinc/02/94/56/410029456.db2.gz AGDJNCKSOJPZKE-VIFPVBQESA-N 0 3 196.250 1.191 20 0 ADADHN c1cc(CNCC[C@@H]2CCOC2)on1 400541045 410030075 /nfs/dbraw/zinc/03/00/75/410030075.db2.gz AGDJNCKSOJPZKE-SECBINFHSA-N 0 3 196.250 1.191 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@H](C)C[C@H]1CC 399601415 410030097 /nfs/dbraw/zinc/03/00/97/410030097.db2.gz ODRZNBNVKIPBHF-BBBLOLIVSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H]1C[C@H](C)CN1C(=O)[C@H](N)CC 399601422 410030118 /nfs/dbraw/zinc/03/01/18/410030118.db2.gz ODRZNBNVKIPBHF-LPEHRKFASA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N1C[C@H](C)C[C@H]1CC 399601424 410030206 /nfs/dbraw/zinc/03/02/06/410030206.db2.gz ODRZNBNVKIPBHF-OPRDCNLKSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1CC 399601413 410030608 /nfs/dbraw/zinc/03/06/08/410030608.db2.gz ODRZNBNVKIPBHF-AEJSXWLSSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1CC 399601426 410030897 /nfs/dbraw/zinc/03/08/97/410030897.db2.gz ODRZNBNVKIPBHF-UTLUCORTSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@@H](N)C(=O)N1C[C@@H](C)C[C@H]1CC 399601418 410030967 /nfs/dbraw/zinc/03/09/67/410030967.db2.gz ODRZNBNVKIPBHF-IVZWLZJFSA-N 0 3 198.310 1.371 20 0 ADADHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1CC 399601416 410031028 /nfs/dbraw/zinc/03/10/28/410031028.db2.gz ODRZNBNVKIPBHF-GUBZILKMSA-N 0 3 198.310 1.371 20 0 ADADHN Cc1cncc(CCN2CCCC2)n1 402705909 410036517 /nfs/dbraw/zinc/03/65/17/410036517.db2.gz ARHAEBYCPMPKQO-UHFFFAOYSA-N 0 3 191.278 1.423 20 0 ADADHN CCCN(C(=O)CC)[C@@H]1CCN(C)C1 649005233 410172176 /nfs/dbraw/zinc/17/21/76/410172176.db2.gz SKOXRROHTSUJPL-SNVBAGLBSA-N 0 3 198.310 1.339 20 0 ADADHN CCCN(C(=O)CC)[C@H]1CCN(C)C1 649005232 410172186 /nfs/dbraw/zinc/17/21/86/410172186.db2.gz SKOXRROHTSUJPL-JTQLQIEISA-N 0 3 198.310 1.339 20 0 ADADHN CCC[C@H](O)CN(C)Cc1ccco1 649225143 410176399 /nfs/dbraw/zinc/17/63/99/410176399.db2.gz DVVGMLNQJXUDBM-JTQLQIEISA-N 0 3 197.278 1.872 20 0 ADADHN CCC[C@@H](O)CN1CCSCC1 649248004 410180463 /nfs/dbraw/zinc/18/04/63/410180463.db2.gz XNAFXCCUEULEGA-SECBINFHSA-N 0 3 189.324 1.196 20 0 ADADHN CCC[C@@H](O)CN(C)Cc1ccco1 649225144 410178373 /nfs/dbraw/zinc/17/83/73/410178373.db2.gz DVVGMLNQJXUDBM-SNVBAGLBSA-N 0 3 197.278 1.872 20 0 ADADHN CCC[C@H](O)CN(C)Cc1ccoc1 649254589 410180367 /nfs/dbraw/zinc/18/03/67/410180367.db2.gz MUCYZLYSWTYWTO-NSHDSACASA-N 0 3 197.278 1.872 20 0 ADADHN CC(C)CCN(C)Cc1c[nH]nn1 649251462 410180565 /nfs/dbraw/zinc/18/05/65/410180565.db2.gz PCLUYXRDCRLEFU-UHFFFAOYSA-N 0 3 182.271 1.283 20 0 ADADHN CCC[C@H](O)CN1CCSCC1 649248007 410180669 /nfs/dbraw/zinc/18/06/69/410180669.db2.gz XNAFXCCUEULEGA-VIFPVBQESA-N 0 3 189.324 1.196 20 0 ADADHN COCCN(C)CC1CCC(=O)CC1 649253761 410180776 /nfs/dbraw/zinc/18/07/76/410180776.db2.gz SJLLNQJQALFBSI-UHFFFAOYSA-N 0 3 199.294 1.324 20 0 ADADHN CCC[C@@H](O)CN(C)Cc1ccoc1 649254588 410181280 /nfs/dbraw/zinc/18/12/80/410181280.db2.gz MUCYZLYSWTYWTO-LLVKDONJSA-N 0 3 197.278 1.872 20 0 ADADHN CN(CCc1cscn1)C1CC1 649247530 410181340 /nfs/dbraw/zinc/18/13/40/410181340.db2.gz GIPDNAFXUXVHMA-UHFFFAOYSA-N 0 3 182.292 1.780 20 0 ADADHN CN(Cc1c[nH]nn1)CC(C)(C)C 649281007 410183949 /nfs/dbraw/zinc/18/39/49/410183949.db2.gz XFWVINMSIUSXOE-UHFFFAOYSA-N 0 3 182.271 1.283 20 0 ADADHN CCN(CC[C@H](C)O)Cc1ccoc1 649280518 410184067 /nfs/dbraw/zinc/18/40/67/410184067.db2.gz IQRKDZHFOYCNBU-JTQLQIEISA-N 0 3 197.278 1.872 20 0 ADADHN CCN(CC[C@@H](C)O)Cc1ccoc1 649280519 410184217 /nfs/dbraw/zinc/18/42/17/410184217.db2.gz IQRKDZHFOYCNBU-SNVBAGLBSA-N 0 3 197.278 1.872 20 0 ADADHN CCN(Cc1cn[nH]n1)CC1CC1 649309634 410187372 /nfs/dbraw/zinc/18/73/72/410187372.db2.gz DUOTZAYTJVQPKQ-UHFFFAOYSA-N 0 3 180.255 1.037 20 0 ADADHN CCN(Cc1c[nH]nn1)CC1CC1 649309634 410187374 /nfs/dbraw/zinc/18/73/74/410187374.db2.gz DUOTZAYTJVQPKQ-UHFFFAOYSA-N 0 3 180.255 1.037 20 0 ADADHN CC[C@@H](C)CN(C)Cc1c[nH]nn1 649307597 410187633 /nfs/dbraw/zinc/18/76/33/410187633.db2.gz HVXUFRZDKJSYND-MRVPVSSYSA-N 0 3 182.271 1.283 20 0 ADADHN CC[C@H](C)CN(C)Cc1c[nH]nn1 649307598 410187791 /nfs/dbraw/zinc/18/77/91/410187791.db2.gz HVXUFRZDKJSYND-QMMMGPOBSA-N 0 3 182.271 1.283 20 0 ADADHN CC[C@@H](C)CN(CC)Cc1cn[nH]n1 649337628 410189830 /nfs/dbraw/zinc/18/98/30/410189830.db2.gz YEOBVLOUPSSLBZ-SECBINFHSA-N 0 3 196.298 1.673 20 0 ADADHN CC[C@@H](C)CN(CC)Cc1c[nH]nn1 649337628 410189838 /nfs/dbraw/zinc/18/98/38/410189838.db2.gz YEOBVLOUPSSLBZ-SECBINFHSA-N 0 3 196.298 1.673 20 0 ADADHN CC[C@H](C)CN(CC)Cc1cn[nH]n1 649337629 410191064 /nfs/dbraw/zinc/19/10/64/410191064.db2.gz YEOBVLOUPSSLBZ-VIFPVBQESA-N 0 3 196.298 1.673 20 0 ADADHN CC[C@H](C)CN(CC)Cc1c[nH]nn1 649337629 410191070 /nfs/dbraw/zinc/19/10/70/410191070.db2.gz YEOBVLOUPSSLBZ-VIFPVBQESA-N 0 3 196.298 1.673 20 0 ADADHN CC(C)C[C@@H](C)N(C)[C@H]1CCNC1=O 649397905 410192950 /nfs/dbraw/zinc/19/29/50/410192950.db2.gz IACRHEKNYWOBDS-ZJUUUORDSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)C[C@@H](C)N(C)[C@@H]1CCNC1=O 649397902 410193097 /nfs/dbraw/zinc/19/30/97/410193097.db2.gz IACRHEKNYWOBDS-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN c1cc(CN2CCC3(CC2)CC3)n[nH]1 649400143 410193249 /nfs/dbraw/zinc/19/32/49/410193249.db2.gz XLKMUXGJZJXIAB-UHFFFAOYSA-N 0 3 191.278 1.786 20 0 ADADHN CC(C)C[C@H](C)N(C)[C@H]1CCNC1=O 649397903 410193596 /nfs/dbraw/zinc/19/35/96/410193596.db2.gz IACRHEKNYWOBDS-UWVGGRQHSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)C[C@H](C)N(C)[C@@H]1CCNC1=O 649397904 410194110 /nfs/dbraw/zinc/19/41/10/410194110.db2.gz IACRHEKNYWOBDS-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CN(CCC1CC1)Cc1c[nH]nn1 649391460 410194421 /nfs/dbraw/zinc/19/44/21/410194421.db2.gz DIDAZSISFCBMRV-UHFFFAOYSA-N 0 3 180.255 1.037 20 0 ADADHN CCC(=O)CCCN(C)C1CC(O)C1 649441163 410201964 /nfs/dbraw/zinc/20/19/64/410201964.db2.gz JMRNFMXKFGEJAU-UHFFFAOYSA-N 0 3 199.294 1.201 20 0 ADADHN Cc1cncc(CCN(C)C2CC2)n1 649487718 410208107 /nfs/dbraw/zinc/20/81/07/410208107.db2.gz MUCWVYLFAFKLBW-UHFFFAOYSA-N 0 3 191.278 1.422 20 0 ADADHN CCN(Cc1cn[nH]n1)CC1CCC1 649527067 410209827 /nfs/dbraw/zinc/20/98/27/410209827.db2.gz SQIAJNSRUOOOSF-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN CCN(Cc1c[nH]nn1)CC1CCC1 649527067 410209832 /nfs/dbraw/zinc/20/98/32/410209832.db2.gz SQIAJNSRUOOOSF-UHFFFAOYSA-N 0 3 194.282 1.427 20 0 ADADHN CCCc1nccn1Cc1c[nH]nn1 649519338 410212352 /nfs/dbraw/zinc/21/23/52/410212352.db2.gz LVECUORJMLDMPR-UHFFFAOYSA-N 0 3 191.238 1.002 20 0 ADADHN CN1CCC[C@@H]1CN1CCC=C(F)C1 649572838 410215970 /nfs/dbraw/zinc/21/59/70/410215970.db2.gz KXKYXJKKIMUOLG-LLVKDONJSA-N 0 3 198.285 1.640 20 0 ADADHN CN1CCC[C@@H]1CN1CC[C@H](F)C1 649622015 410218793 /nfs/dbraw/zinc/21/87/93/410218793.db2.gz RNZVIDIACKQUCM-VHSXEESVSA-N 0 3 186.274 1.124 20 0 ADADHN CN1CCC[C@@H]1CN1CC[C@@H](F)C1 649622013 410219807 /nfs/dbraw/zinc/21/98/07/410219807.db2.gz RNZVIDIACKQUCM-NXEZZACHSA-N 0 3 186.274 1.124 20 0 ADADHN CC(C)N(CCCF)C1COC1 649694086 410224152 /nfs/dbraw/zinc/22/41/52/410224152.db2.gz QUJACPTYGUUFIM-UHFFFAOYSA-N 0 3 175.247 1.455 20 0 ADADHN CC(C)N(C[C@H]1CCOC1)C1COC1 649693852 410224625 /nfs/dbraw/zinc/22/46/25/410224625.db2.gz CHZIEHFCOFKXNM-SNVBAGLBSA-N 0 3 199.294 1.132 20 0 ADADHN CCCN(C(C)C)C1COC1 649693864 410225129 /nfs/dbraw/zinc/22/51/29/410225129.db2.gz KJVXDWCXTSXJRL-UHFFFAOYSA-N 0 3 157.257 1.506 20 0 ADADHN CC(C)N(C[C@@H]1CCOC1)C1COC1 649693851 410225285 /nfs/dbraw/zinc/22/52/85/410225285.db2.gz CHZIEHFCOFKXNM-JTQLQIEISA-N 0 3 199.294 1.132 20 0 ADADHN CC(C)N(CC1(C)COC1)C1COC1 649694103 410225467 /nfs/dbraw/zinc/22/54/67/410225467.db2.gz WVQJCZYEJHTQSE-UHFFFAOYSA-N 0 3 199.294 1.132 20 0 ADADHN CCCCN(C1CC1)C1COC1 649695571 410225529 /nfs/dbraw/zinc/22/55/29/410225529.db2.gz HVUASKQJDGDUOD-UHFFFAOYSA-N 0 3 169.268 1.650 20 0 ADADHN CCCCN(C(C)C)C1COC1 649693846 410225592 /nfs/dbraw/zinc/22/55/92/410225592.db2.gz ARZXSYBZVMHHEH-UHFFFAOYSA-N 0 3 171.284 1.896 20 0 ADADHN COCCCCN(C1CC1)C1COC1 649696257 410225755 /nfs/dbraw/zinc/22/57/55/410225755.db2.gz ISCPOMLBJXVIHR-UHFFFAOYSA-N 0 3 199.294 1.276 20 0 ADADHN C1CC(CN(C2CC2)C2COC2)C1 649696304 410226035 /nfs/dbraw/zinc/22/60/35/410226035.db2.gz PVBJTPAAPIHJLP-UHFFFAOYSA-N 0 3 181.279 1.650 20 0 ADADHN CC(C)N(CCCCF)C1COC1 649694121 410226242 /nfs/dbraw/zinc/22/62/42/410226242.db2.gz KRYBEVCTHFXILH-UHFFFAOYSA-N 0 3 189.274 1.845 20 0 ADADHN OCCCCCN(C1CC1)C1COC1 649696329 410226608 /nfs/dbraw/zinc/22/66/08/410226608.db2.gz ULACQBGYYNXKFW-UHFFFAOYSA-N 0 3 199.294 1.012 20 0 ADADHN CC(C)N(CCC1CC1)C1COC1 649694040 410226626 /nfs/dbraw/zinc/22/66/26/410226626.db2.gz ATZRDDQKUUBYTF-UHFFFAOYSA-N 0 3 183.295 1.896 20 0 ADADHN COCCCN(C(C)C)C1COC1 649693881 410226841 /nfs/dbraw/zinc/22/68/41/410226841.db2.gz ZFORMQXSKNSORA-UHFFFAOYSA-N 0 3 187.283 1.132 20 0 ADADHN C1CC1CCN(C1CC1)C1COC1 649696359 410226814 /nfs/dbraw/zinc/22/68/14/410226814.db2.gz ZQUIVBKNVVDJET-UHFFFAOYSA-N 0 3 181.279 1.650 20 0 ADADHN CC(C)N(CC1CCC1)C1COC1 649694060 410226878 /nfs/dbraw/zinc/22/68/78/410226878.db2.gz IHNGEYGFKRVJAC-UHFFFAOYSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@H]1CN(CC)[C@H](C)CO1 649731756 410227690 /nfs/dbraw/zinc/22/76/90/410227690.db2.gz MJGKXCASCWHUNZ-BDAKNGLRSA-N 0 3 157.257 1.506 20 0 ADADHN FCCCCN(C1CC1)C1COC1 649698512 410227813 /nfs/dbraw/zinc/22/78/13/410227813.db2.gz SEEKLTZAOIVOAQ-UHFFFAOYSA-N 0 3 187.258 1.599 20 0 ADADHN CC[C@H]1CN(CC)[C@@H](C)CO1 649731758 410227942 /nfs/dbraw/zinc/22/79/42/410227942.db2.gz MJGKXCASCWHUNZ-IUCAKERBSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@@H]1CN(CC)[C@H](CC)CO1 649720318 410228185 /nfs/dbraw/zinc/22/81/85/410228185.db2.gz HNEMLKJTFWDJGS-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@@H]1CN(CC)[C@@H](C)CO1 649731757 410228301 /nfs/dbraw/zinc/22/83/01/410228301.db2.gz MJGKXCASCWHUNZ-DTWKUNHWSA-N 0 3 157.257 1.506 20 0 ADADHN CC/C=C\CCN(C)C(C)(C)C(N)=O 649711194 410228472 /nfs/dbraw/zinc/22/84/72/410228472.db2.gz AZPVYJULIDMBKN-SREVYHEPSA-N 0 3 198.310 1.538 20 0 ADADHN CCCN1C[C@@H](CC)OC[C@H]1C 649731112 410228656 /nfs/dbraw/zinc/22/86/56/410228656.db2.gz CVOQEPXTPMAMOY-NXEZZACHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H]1CN(CC)[C@@H](CC)CO1 649720319 410229105 /nfs/dbraw/zinc/22/91/05/410229105.db2.gz HNEMLKJTFWDJGS-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1C[C@H](CC)OC[C@@H]1C 649731113 410229243 /nfs/dbraw/zinc/22/92/43/410229243.db2.gz CVOQEPXTPMAMOY-UWVGGRQHSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1C[C@H](CC)OC[C@H]1C 649731115 410229334 /nfs/dbraw/zinc/22/93/34/410229334.db2.gz CVOQEPXTPMAMOY-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN CCCCCN(C)C(C)(C)C(N)=O 649709763 410229454 /nfs/dbraw/zinc/22/94/54/410229454.db2.gz HYNIBWNAAIKJFN-UHFFFAOYSA-N 0 3 186.299 1.372 20 0 ADADHN CN(CC1CCCC1)C(C)(C)C(N)=O 649709112 410229540 /nfs/dbraw/zinc/22/95/40/410229540.db2.gz VIJDQFWIHHQGCO-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC(C)CCN(C)C(C)(C)C(N)=O 649708449 410229672 /nfs/dbraw/zinc/22/96/72/410229672.db2.gz UXZGXYVCBHUJET-UHFFFAOYSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H]1CN(CC)[C@H](CC)CO1 649720321 410229911 /nfs/dbraw/zinc/22/99/11/410229911.db2.gz HNEMLKJTFWDJGS-ZJUUUORDSA-N 0 3 171.284 1.896 20 0 ADADHN CC/C=C/CCN(C)C(C)(C)C(N)=O 649711195 410230093 /nfs/dbraw/zinc/23/00/93/410230093.db2.gz AZPVYJULIDMBKN-VOTSOKGWSA-N 0 3 198.310 1.538 20 0 ADADHN CC[C@H](C)CN(C)C(C)(C)C(N)=O 649709781 410230239 /nfs/dbraw/zinc/23/02/39/410230239.db2.gz VAGDYWMSGRMMOQ-QMMMGPOBSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H]1COC(C)(C)CN1CC 649715541 410230259 /nfs/dbraw/zinc/23/02/59/410230259.db2.gz FIOXXAXFLZVMII-VIFPVBQESA-N 0 3 171.284 1.896 20 0 ADADHN CN(CC1(C)CCC1)C(C)(C)C(N)=O 649711263 410230376 /nfs/dbraw/zinc/23/03/76/410230376.db2.gz VRQAMSPOVYITOV-UHFFFAOYSA-N 0 3 198.310 1.372 20 0 ADADHN CC[C@@H](C)CN(C)C(C)(C)C(N)=O 649709780 410230515 /nfs/dbraw/zinc/23/05/15/410230515.db2.gz VAGDYWMSGRMMOQ-MRVPVSSYSA-N 0 3 186.299 1.228 20 0 ADADHN CC[C@H]1CO[C@H](CC)CN1CC 649720320 410230591 /nfs/dbraw/zinc/23/05/91/410230591.db2.gz HNEMLKJTFWDJGS-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CCCN1C[C@@H](CC)OC[C@@H]1C 649731114 410230684 /nfs/dbraw/zinc/23/06/84/410230684.db2.gz CVOQEPXTPMAMOY-VHSXEESVSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@@H]1CN(CC)[C@H](C)CO1 649731759 410230696 /nfs/dbraw/zinc/23/06/96/410230696.db2.gz MJGKXCASCWHUNZ-RKDXNWHRSA-N 0 3 157.257 1.506 20 0 ADADHN CC[C@@H]1COC(C)(C)CN1CC 649715540 410230710 /nfs/dbraw/zinc/23/07/10/410230710.db2.gz FIOXXAXFLZVMII-SECBINFHSA-N 0 3 171.284 1.896 20 0 ADADHN CC[C@H]1CN(CC2CC2)[C@@H](C)CO1 649733754 410231738 /nfs/dbraw/zinc/23/17/38/410231738.db2.gz NMRSVMHSEDCMHU-ONGXEEELSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@@H]1CN(CC2CC2)[C@H](C)CO1 649733753 410231882 /nfs/dbraw/zinc/23/18/82/410231882.db2.gz NMRSVMHSEDCMHU-MWLCHTKSSA-N 0 3 183.295 1.896 20 0 ADADHN FCCCCN1CC[C@H](F)C1 649758468 410231933 /nfs/dbraw/zinc/23/19/33/410231933.db2.gz RAJOQOLKOTXGND-QMMMGPOBSA-N 0 3 163.211 1.780 20 0 ADADHN FCCCCN1CC[C@@H](F)C1 649758467 410232150 /nfs/dbraw/zinc/23/21/50/410232150.db2.gz RAJOQOLKOTXGND-MRVPVSSYSA-N 0 3 163.211 1.780 20 0 ADADHN COC[C@H]1C[C@@H](O)CN1CC=C(C)C 649760987 410232878 /nfs/dbraw/zinc/23/28/78/410232878.db2.gz IFYLCKAOENGZHR-GHMZBOCLSA-N 0 3 199.294 1.034 20 0 ADADHN CC[C@@H]1CN(CC2CC2)[C@@H](C)CO1 649733751 410232982 /nfs/dbraw/zinc/23/29/82/410232982.db2.gz NMRSVMHSEDCMHU-GXSJLCMTSA-N 0 3 183.295 1.896 20 0 ADADHN CC[C@H]1CN(CC2CC2)[C@H](C)CO1 649733752 410234681 /nfs/dbraw/zinc/23/46/81/410234681.db2.gz NMRSVMHSEDCMHU-KOLCDFICSA-N 0 3 183.295 1.896 20 0 ADADHN c1nc(CNC2(C3CCC3)CC2)c[nH]1 649810411 410236501 /nfs/dbraw/zinc/23/65/01/410236501.db2.gz JOEUGNKURJRIHU-UHFFFAOYSA-N 0 3 191.278 1.832 20 0 ADADHN c1ncc(CNC2(C3CCC3)CC2)[nH]1 649810411 410236509 /nfs/dbraw/zinc/23/65/09/410236509.db2.gz JOEUGNKURJRIHU-UHFFFAOYSA-N 0 3 191.278 1.832 20 0 ADADHN CCNC(=O)CNC1(C2CCC2)CC1 649805933 410237145 /nfs/dbraw/zinc/23/71/45/410237145.db2.gz HMTDJMNFSBAVIL-UHFFFAOYSA-N 0 3 196.294 1.045 20 0 ADADHN c1cc(CNC2(C3CCC3)CC2)n[nH]1 649811351 410237256 /nfs/dbraw/zinc/23/72/56/410237256.db2.gz OIRVBVPCEIXHBE-UHFFFAOYSA-N 0 3 191.278 1.832 20 0 ADADHN c1c[nH]c(CNC2(C3CCC3)CC2)n1 649809006 410237348 /nfs/dbraw/zinc/23/73/48/410237348.db2.gz ZTUCVEXFNSCESW-UHFFFAOYSA-N 0 3 191.278 1.832 20 0 ADADHN c1n[nH]nc1CNC1(C2CCC2)CC1 649811266 410238014 /nfs/dbraw/zinc/23/80/14/410238014.db2.gz LEEYCKTUEMRXDY-UHFFFAOYSA-N 0 3 192.266 1.227 20 0 ADADHN C[C@H](CCO)N(C)Cc1cccs1 649870013 410242658 /nfs/dbraw/zinc/24/26/58/410242658.db2.gz RTOUOTBYUJOORQ-SECBINFHSA-N 0 3 199.319 1.951 20 0 ADADHN C[C@H](CCO)N(C)Cc1ccncc1 649868090 410243034 /nfs/dbraw/zinc/24/30/34/410243034.db2.gz ZDDFRVZAYZYMSH-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN C[C@@H](CCO)N(C)Cc1cccs1 649870014 410243048 /nfs/dbraw/zinc/24/30/48/410243048.db2.gz RTOUOTBYUJOORQ-VIFPVBQESA-N 0 3 199.319 1.951 20 0 ADADHN C[C@@H](CCO)N(C)CCC(F)(F)F 649867949 410243093 /nfs/dbraw/zinc/24/30/93/410243093.db2.gz WDZGQABKKKHLEW-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN C[C@@H](CCO)N(C)Cc1ccccn1 649867120 410243913 /nfs/dbraw/zinc/24/39/13/410243913.db2.gz FDEJAAMTAONOKD-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN C[C@@H](CCO)N(C)Cc1ccncc1 649868089 410244144 /nfs/dbraw/zinc/24/41/44/410244144.db2.gz ZDDFRVZAYZYMSH-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN C[C@H](CCO)N(C)Cc1cccnc1 649867520 410244471 /nfs/dbraw/zinc/24/44/71/410244471.db2.gz KXMQMKHGZOXFEM-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN C[C@H](CCO)N(C)CCC(F)(F)F 649867948 410244955 /nfs/dbraw/zinc/24/49/55/410244955.db2.gz WDZGQABKKKHLEW-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN C[C@@H](CCO)N(C)Cc1cccnc1 649867519 410245145 /nfs/dbraw/zinc/24/51/45/410245145.db2.gz KXMQMKHGZOXFEM-JTQLQIEISA-N 0 3 194.278 1.284 20 0 ADADHN C[C@H](CCO)N(C)Cc1ccccn1 649867123 410245319 /nfs/dbraw/zinc/24/53/19/410245319.db2.gz FDEJAAMTAONOKD-SNVBAGLBSA-N 0 3 194.278 1.284 20 0 ADADHN O[C@@H]1CCCN(CCOC2CCC2)C1 649893253 410245916 /nfs/dbraw/zinc/24/59/16/410245916.db2.gz WGZFGMVXNZYHEO-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN COCCCCCN1CC[C@H](F)C1 649938203 410246118 /nfs/dbraw/zinc/24/61/18/410246118.db2.gz WPVQXPJNNFFIOI-JTQLQIEISA-N 0 3 189.274 1.847 20 0 ADADHN CC1(CN2CC[C@H](F)C2)COC1 649938250 410246716 /nfs/dbraw/zinc/24/67/16/410246716.db2.gz XMOJDNCQPWUHLO-QMMMGPOBSA-N 0 3 173.231 1.067 20 0 ADADHN C[C@H](O)CCCN1CC[C@H](F)C1 649940604 410247127 /nfs/dbraw/zinc/24/71/27/410247127.db2.gz JJEGYRPYBQOVJE-IUCAKERBSA-N 0 3 175.247 1.191 20 0 ADADHN F[C@H]1CCN(CCCn2ccnc2)C1 649940276 410247512 /nfs/dbraw/zinc/24/75/12/410247512.db2.gz XKCLYKXLMCXOEV-JTQLQIEISA-N 0 3 197.257 1.317 20 0 ADADHN C[C@@H](O)CCCN1CC[C@H](F)C1 649940603 410247631 /nfs/dbraw/zinc/24/76/31/410247631.db2.gz JJEGYRPYBQOVJE-BDAKNGLRSA-N 0 3 175.247 1.191 20 0 ADADHN CCOCCCN1CC[C@H](F)C1 649938253 410247876 /nfs/dbraw/zinc/24/78/76/410247876.db2.gz ZHYATYDTYGJMBV-VIFPVBQESA-N 0 3 175.247 1.457 20 0 ADADHN CN(CCCF)Cc1ccccn1 649891950 410248432 /nfs/dbraw/zinc/24/84/32/410248432.db2.gz MTVWXFBCYSEYGX-UHFFFAOYSA-N 0 3 182.242 1.873 20 0 ADADHN CC1(CN2CC[C@@H](F)C2)COC1 649943589 410249397 /nfs/dbraw/zinc/24/93/97/410249397.db2.gz XMOJDNCQPWUHLO-MRVPVSSYSA-N 0 3 173.231 1.067 20 0 ADADHN F[C@@H]1CCN(CCCn2ccnc2)C1 649945464 410249821 /nfs/dbraw/zinc/24/98/21/410249821.db2.gz XKCLYKXLMCXOEV-SNVBAGLBSA-N 0 3 197.257 1.317 20 0 ADADHN C[C@H](O)CCCN1CC[C@@H](F)C1 649945427 410250572 /nfs/dbraw/zinc/25/05/72/410250572.db2.gz JJEGYRPYBQOVJE-DTWKUNHWSA-N 0 3 175.247 1.191 20 0 ADADHN COCCCCCN1CC[C@@H](F)C1 649943588 410250816 /nfs/dbraw/zinc/25/08/16/410250816.db2.gz WPVQXPJNNFFIOI-SNVBAGLBSA-N 0 3 189.274 1.847 20 0 ADADHN CCOCCCN1CC[C@@H](F)C1 649943599 410251326 /nfs/dbraw/zinc/25/13/26/410251326.db2.gz ZHYATYDTYGJMBV-SECBINFHSA-N 0 3 175.247 1.457 20 0 ADADHN C[C@@H](O)CCCN1CC[C@@H](F)C1 649945428 410251513 /nfs/dbraw/zinc/25/15/13/410251513.db2.gz JJEGYRPYBQOVJE-RKDXNWHRSA-N 0 3 175.247 1.191 20 0 ADADHN CC/C=C/CCN1C[C@@H](O)[C@H](OC)C1 650124537 410256458 /nfs/dbraw/zinc/25/64/58/410256458.db2.gz NZXXNMHLEUCWBL-XKFHPXPTSA-N 0 3 199.294 1.034 20 0 ADADHN CC/C=C\CCN1CCC[C@@H]1C(N)=O 650086146 410256621 /nfs/dbraw/zinc/25/66/21/410256621.db2.gz TXVMUCUYSBCQDR-UMBAGQNISA-N 0 3 196.294 1.292 20 0 ADADHN CC/C=C/CCN1CCC[C@@H]1C(N)=O 650086145 410257112 /nfs/dbraw/zinc/25/71/12/410257112.db2.gz TXVMUCUYSBCQDR-HMDXOVGESA-N 0 3 196.294 1.292 20 0 ADADHN CC/C=C\CCN1C[C@@H](O)[C@H](OC)C1 650124536 410257606 /nfs/dbraw/zinc/25/76/06/410257606.db2.gz NZXXNMHLEUCWBL-WQMVXFAESA-N 0 3 199.294 1.034 20 0 ADADHN C[C@@H]1[C@H](O)CCN1CCOC1CCC1 650191039 410258683 /nfs/dbraw/zinc/25/86/83/410258683.db2.gz VAIHTXZZMJEJNS-MWLCHTKSSA-N 0 3 199.294 1.011 20 0 ADADHN CCC(=O)CCCN1CC[C@@H](O)[C@H]1C 650190873 410259386 /nfs/dbraw/zinc/25/93/86/410259386.db2.gz CIZJFLRZYDWSDW-MWLCHTKSSA-N 0 3 199.294 1.201 20 0 ADADHN C[C@@H]1[C@H](O)CCN1CCC(F)(F)F 650187929 410260933 /nfs/dbraw/zinc/26/09/33/410260933.db2.gz MKTCJMUNVDNFAN-RNFRBKRXSA-N 0 3 197.200 1.394 20 0 ADADHN CCC1(NC(=O)CN(C)C(C)C)CC1 650676706 410271978 /nfs/dbraw/zinc/27/19/78/410271978.db2.gz YDJLOPYWBQWXBF-UHFFFAOYSA-N 0 3 198.310 1.385 20 0 ADADHN CCN(CC)CC(=O)NC1(CC)CC1 650676682 410272656 /nfs/dbraw/zinc/27/26/56/410272656.db2.gz OQZSVBUKMXYCFB-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CCCN(C)CC(=O)NC1(CC)CC1 650677251 410272745 /nfs/dbraw/zinc/27/27/45/410272745.db2.gz CBZKUNVGZKFMAM-UHFFFAOYSA-N 0 3 198.310 1.387 20 0 ADADHN CC(C)N(C)CC(=O)N[C@H](C)C1CC1 650764494 410277922 /nfs/dbraw/zinc/27/79/22/410277922.db2.gz QUWBOXJOCQWHHB-SECBINFHSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C(=O)N[C@H](C)C1CC1)N(C)C 650763461 410279153 /nfs/dbraw/zinc/27/91/53/410279153.db2.gz WBHDKDIZRNAAMS-SCZZXKLOSA-N 0 3 198.310 1.241 20 0 ADADHN CCN(CC)CC(=O)N[C@H](C)C1CC1 650763565 410279571 /nfs/dbraw/zinc/27/95/71/410279571.db2.gz UQKGETFAAPMRQX-SECBINFHSA-N 0 3 198.310 1.243 20 0 ADADHN CC[C@H](C(=O)N[C@H](C)C1CC1)N(C)C 650763460 410279873 /nfs/dbraw/zinc/27/98/73/410279873.db2.gz WBHDKDIZRNAAMS-PSASIEDQSA-N 0 3 198.310 1.241 20 0 ADADHN CCN(CC)CC(=O)N[C@@H](C)C1CC1 650771582 410280666 /nfs/dbraw/zinc/28/06/66/410280666.db2.gz UQKGETFAAPMRQX-VIFPVBQESA-N 0 3 198.310 1.243 20 0 ADADHN CC(C)N(C)CC(=O)N[C@@H](C)C1CC1 650773154 410280939 /nfs/dbraw/zinc/28/09/39/410280939.db2.gz QUWBOXJOCQWHHB-VIFPVBQESA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@H](C(=O)N[C@@H](C)C1CC1)N(C)C 650771482 410282017 /nfs/dbraw/zinc/28/20/17/410282017.db2.gz WBHDKDIZRNAAMS-WCBMZHEXSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@H](C(=O)N[C@@H](C)C1CC1)N(C)C 650771483 410282133 /nfs/dbraw/zinc/28/21/33/410282133.db2.gz WBHDKDIZRNAAMS-WPRPVWTQSA-N 0 3 198.310 1.241 20 0 ADADHN CC/C=C\CNC(=O)[C@@H](CC)N(C)C 650824711 410283444 /nfs/dbraw/zinc/28/34/44/410283444.db2.gz BVKFDSNFRKRGJW-GQYWMQPJSA-N 0 3 198.310 1.409 20 0 ADADHN CC/C=C\CNC(=O)CN(CC)CC 650825597 410283786 /nfs/dbraw/zinc/28/37/86/410283786.db2.gz DMFABMOHIOKXHQ-FPLPWBNLSA-N 0 3 198.310 1.411 20 0 ADADHN CC/C=C\CNC(=O)CN(C)CCC 650825668 410284372 /nfs/dbraw/zinc/28/43/72/410284372.db2.gz VTGPELMANSQWMY-SREVYHEPSA-N 0 3 198.310 1.411 20 0 ADADHN CC/C=C/CNC(=O)CN(CC)CC 650825596 410284556 /nfs/dbraw/zinc/28/45/56/410284556.db2.gz DMFABMOHIOKXHQ-BQYQJAHWSA-N 0 3 198.310 1.411 20 0 ADADHN CC/C=C/CNC(=O)[C@@H](CC)N(C)C 650824713 410284562 /nfs/dbraw/zinc/28/45/62/410284562.db2.gz BVKFDSNFRKRGJW-QROSGCPLSA-N 0 3 198.310 1.409 20 0 ADADHN CC/C=C\CNC(=O)[C@H](CC)N(C)C 650824710 410284592 /nfs/dbraw/zinc/28/45/92/410284592.db2.gz BVKFDSNFRKRGJW-DMEOUFDRSA-N 0 3 198.310 1.409 20 0 ADADHN CC/C=C/CNC(=O)[C@H](CC)N(C)C 650824712 410284661 /nfs/dbraw/zinc/28/46/61/410284661.db2.gz BVKFDSNFRKRGJW-JARNTUPDSA-N 0 3 198.310 1.409 20 0 ADADHN CC/C=C/CNC(=O)CN(C)CCC 650825669 410284750 /nfs/dbraw/zinc/28/47/50/410284750.db2.gz VTGPELMANSQWMY-VOTSOKGWSA-N 0 3 198.310 1.411 20 0 ADADHN CC/C=C/CNC(=O)[C@@H]1CCCN1C 650825854 410285647 /nfs/dbraw/zinc/28/56/47/410285647.db2.gz AEVLKYBPHUWGAL-YEZKRMTDSA-N 0 3 196.294 1.163 20 0 ADADHN CC/C=C\CNC(=O)[C@@H]1CCCN1C 650825847 410287543 /nfs/dbraw/zinc/28/75/43/410287543.db2.gz AEVLKYBPHUWGAL-LWTINBJPSA-N 0 3 196.294 1.163 20 0 ADADHN CC/C=C/CNC(=O)[C@H]1CCCN1C 650825851 410286323 /nfs/dbraw/zinc/28/63/23/410286323.db2.gz AEVLKYBPHUWGAL-ORAHPGNNSA-N 0 3 196.294 1.163 20 0 ADADHN CC/C=C\CNC(=O)[C@H]1CCCN1C 650825852 410286806 /nfs/dbraw/zinc/28/68/06/410286806.db2.gz AEVLKYBPHUWGAL-UMCURTJPSA-N 0 3 196.294 1.163 20 0 ADADHN CC/C=C\CNC(=O)CN(C)C(C)C 650825845 410287212 /nfs/dbraw/zinc/28/72/12/410287212.db2.gz ACKNZVVZOXWOMS-SREVYHEPSA-N 0 3 198.310 1.409 20 0 ADADHN CC/C=C/CNC(=O)CN(C)C(C)C 650825846 410287313 /nfs/dbraw/zinc/28/73/13/410287313.db2.gz ACKNZVVZOXWOMS-VOTSOKGWSA-N 0 3 198.310 1.409 20 0 ADADHN Cc1nnc([C@H](C)N[C@H]2CC[C@@H]2C)[nH]1 306629544 629667644 /nfs/dbraw/zinc/66/76/44/629667644.db2.gz CHSVFINSJZHEBY-ZKWXMUAHSA-N 0 3 194.282 1.562 20 0 ADADHN CCCCCCNC(=O)[C@H](N)CC 36871893 572071385 /nfs/dbraw/zinc/07/13/85/572071385.db2.gz IZXFTANPKIZNPT-SECBINFHSA-N 0 3 186.299 1.420 20 0 ADADHN N[C@H](c1c(F)cncc1F)C1CC1 104668591 573151297 /nfs/dbraw/zinc/15/12/97/573151297.db2.gz GJACGOWGNQVPPX-VIFPVBQESA-N 0 3 184.189 1.770 20 0 ADADHN CCC(=O)CCN1CC[C@@H](OC)C1 308305333 573200154 /nfs/dbraw/zinc/20/01/54/573200154.db2.gz OBTMRVIOTXZDDC-SNVBAGLBSA-N 0 3 185.267 1.076 20 0 ADADHN CC[C@H](O)[C@H]1CCCCN1CCF 308308806 573213007 /nfs/dbraw/zinc/21/30/07/573213007.db2.gz PUIWKSFYEJYLPS-ZJUUUORDSA-N 0 3 189.274 1.581 20 0 ADADHN CC[C@H](O)[C@@H]1CCCCN1CCF 308308804 573213134 /nfs/dbraw/zinc/21/31/34/573213134.db2.gz PUIWKSFYEJYLPS-UWVGGRQHSA-N 0 3 189.274 1.581 20 0 ADADHN C[C@H]1C[C@@H](OC2CNC2)CC[C@H]1C 82840830 573225152 /nfs/dbraw/zinc/22/51/52/573225152.db2.gz PNDQZMNHVBJWGT-UTLUCORTSA-N 0 3 183.295 1.800 20 0 ADADHN C[C@H]1C[C@H](OC2CNC2)CC[C@H]1C 82840832 573225603 /nfs/dbraw/zinc/22/56/03/573225603.db2.gz PNDQZMNHVBJWGT-KXUCPTDWSA-N 0 3 183.295 1.800 20 0 ADADHN C1=CO[C@H](CNCc2cc[nH]c2)CC1 308520603 573229982 /nfs/dbraw/zinc/22/99/82/573229982.db2.gz OOYUURCIUVGQDZ-NSHDSACASA-N 0 3 192.262 1.797 20 0 ADADHN c1nc(CNCCOC2CCC2)c[nH]1 308524270 573230422 /nfs/dbraw/zinc/23/04/22/573230422.db2.gz QIFRMBMKGAIKKB-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN c1ncc(CNCCOC2CCC2)[nH]1 308524270 573230427 /nfs/dbraw/zinc/23/04/27/573230427.db2.gz QIFRMBMKGAIKKB-UHFFFAOYSA-N 0 3 195.266 1.068 20 0 ADADHN C[C@@H](NCc1cnn(C)n1)C1CCC1 308529068 573239303 /nfs/dbraw/zinc/23/93/03/573239303.db2.gz QEKVOUAHQWONMX-MRVPVSSYSA-N 0 3 194.282 1.093 20 0 ADADHN CCC(C)(C)NCc1cn(C)cn1 308338789 573271347 /nfs/dbraw/zinc/27/13/47/573271347.db2.gz PQWBYBFLFVAMSB-UHFFFAOYSA-N 0 3 181.283 1.698 20 0 ADADHN C[C@H](NCc1nncn1C)C1CCC1 132368508 573291493 /nfs/dbraw/zinc/29/14/93/573291493.db2.gz DZPMCVJYYRKFJF-QMMMGPOBSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H](NCc1nncn1C)C1CCC1 132368708 573294875 /nfs/dbraw/zinc/29/48/75/573294875.db2.gz DZPMCVJYYRKFJF-MRVPVSSYSA-N 0 3 194.282 1.093 20 0 ADADHN Cn1cnc(CNC2CCCCC2)c1 236129137 573302495 /nfs/dbraw/zinc/30/24/95/573302495.db2.gz UPEAKFBKQLHPEH-UHFFFAOYSA-N 0 3 193.294 1.842 20 0 ADADHN Cc1cc([C@@H](N)[C@H](C)O)ccc1F 74299456 573303298 /nfs/dbraw/zinc/30/32/98/573303298.db2.gz FSABZFYFIIFJAQ-XVKPBYJWSA-N 0 3 183.226 1.515 20 0 ADADHN CC(C)=CCNC1(C(N)=O)CCCC1 308552833 573325191 /nfs/dbraw/zinc/32/51/91/573325191.db2.gz YEARHSXXRXXZGG-UHFFFAOYSA-N 0 3 196.294 1.340 20 0 ADADHN CC(C)Cc1cncc(CN)c1 74339982 573325644 /nfs/dbraw/zinc/32/56/44/573325644.db2.gz CPLMTZRVUSBGDQ-UHFFFAOYSA-N 0 3 164.252 1.739 20 0 ADADHN CN[C@@H](C)C(=O)NC1C(C)(C)C1(C)C 86240625 573327057 /nfs/dbraw/zinc/32/70/57/573327057.db2.gz FEMIVDWHANHRMR-ZETCQYMHSA-N 0 3 198.310 1.145 20 0 ADADHN CC[C@@H](N)C(=O)NC1C(C)(C)C1(C)C 86240719 573329885 /nfs/dbraw/zinc/32/98/85/573329885.db2.gz PHTPHASWXUSEGV-SSDOTTSWSA-N 0 3 198.310 1.275 20 0 ADADHN c1c[nH]c(CN[C@H]2CC[C@H]2C2CC2)n1 308556706 573347273 /nfs/dbraw/zinc/34/72/73/573347273.db2.gz ZSHMPIMUYAALHZ-UWVGGRQHSA-N 0 3 191.278 1.688 20 0 ADADHN C[C@H](NCc1nncn1C)C(C)(C)C 132900914 573347341 /nfs/dbraw/zinc/34/73/41/573347341.db2.gz WJGBENJIERKURG-QMMMGPOBSA-N 0 3 196.298 1.339 20 0 ADADHN c1c[nH]c(CN[C@H]2CC[C@@H]2C2CC2)n1 308556708 573347625 /nfs/dbraw/zinc/34/76/25/573347625.db2.gz ZSHMPIMUYAALHZ-ZJUUUORDSA-N 0 3 191.278 1.688 20 0 ADADHN CC(C)(C)[C@H](N)CF 107114510 573348112 /nfs/dbraw/zinc/34/81/12/573348112.db2.gz YMCXJINCUJCJLH-RXMQYKEDSA-N 0 3 119.183 1.329 20 0 ADADHN CCc1cc(CNC(C)C)[nH]n1 50306700 573366077 /nfs/dbraw/zinc/36/60/77/573366077.db2.gz MPCSPEDSMRLOAY-UHFFFAOYSA-N 0 3 167.256 1.470 20 0 ADADHN CCC(CC)CNCc1cn(C)cn1 308565956 573379418 /nfs/dbraw/zinc/37/94/18/573379418.db2.gz HUPGNOYXWKLVSK-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN COCC1(NCC2=CCCOC2)CC1 393664004 573378826 /nfs/dbraw/zinc/37/88/26/573378826.db2.gz CJSSJIXQFRPATE-UHFFFAOYSA-N 0 3 197.278 1.102 20 0 ADADHN CCC/C=C/C(=O)N1CCCNCC1 308370716 573380266 /nfs/dbraw/zinc/38/02/66/573380266.db2.gz PMUMMMRTDZCNQA-GQCTYLIASA-N 0 3 196.294 1.165 20 0 ADADHN CCc1ncc2cc(N)ccn12 107159493 573383945 /nfs/dbraw/zinc/38/39/45/573383945.db2.gz GEJVOEIFOJENRL-UHFFFAOYSA-N 0 3 161.208 1.479 20 0 ADADHN CC[C@@H]1CCC[C@@H]([C@H](N)C(N)=O)C1 83144542 573425158 /nfs/dbraw/zinc/42/51/58/573425158.db2.gz GXARCVSGTRBQPT-HLTSFMKQSA-N 0 3 184.283 1.015 20 0 ADADHN COCCN[C@@H](C)c1cnn(C)c1C 308585015 573475545 /nfs/dbraw/zinc/47/55/45/573475545.db2.gz LTJCKAJGMJZBRZ-QMMMGPOBSA-N 0 3 197.282 1.026 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1nc[nH]n1 83390677 573479483 /nfs/dbraw/zinc/47/94/83/573479483.db2.gz LUKIGDPINXIQTA-JGVFFNPUSA-N 0 3 180.255 1.083 20 0 ADADHN Cn1ncc(CNCC2CC2)c1Cl 393526281 573479753 /nfs/dbraw/zinc/47/97/53/573479753.db2.gz SLGCCYSLUWFKSE-UHFFFAOYSA-N 0 3 199.685 1.573 20 0 ADADHN C[C@H](O)CCNCc1ccc(F)nc1 308599646 573485539 /nfs/dbraw/zinc/48/55/39/573485539.db2.gz NUVMTPPYXKRASD-QMMMGPOBSA-N 0 3 198.241 1.081 20 0 ADADHN CC(C)=CC(=O)NC(C)(C)CN(C)C 308607976 573500261 /nfs/dbraw/zinc/50/02/61/573500261.db2.gz PSRMQLCMSDWPSZ-UHFFFAOYSA-N 0 3 198.310 1.409 20 0 ADADHN Cn1cc(CNCCC2CCC2)nn1 130343010 573546513 /nfs/dbraw/zinc/54/65/13/573546513.db2.gz DTGGWXDYVXQIPA-UHFFFAOYSA-N 0 3 194.282 1.095 20 0 ADADHN c1cc(CNCCC2CCC2)n[nH]1 130345361 573554831 /nfs/dbraw/zinc/55/48/31/573554831.db2.gz RODRGVSNGHWHHC-UHFFFAOYSA-N 0 3 179.267 1.690 20 0 ADADHN CC(C)[C@@H](CO)N[C@H](C)c1ncc[nH]1 308638051 573584115 /nfs/dbraw/zinc/58/41/15/573584115.db2.gz DAEVUJOUUQKPDT-RKDXNWHRSA-N 0 3 197.282 1.077 20 0 ADADHN CCN[C@H](C)c1ccc(F)cn1 86705896 573585850 /nfs/dbraw/zinc/58/58/50/573585850.db2.gz XQJHBDRFJSXHSO-SSDOTTSWSA-N 0 3 168.215 1.891 20 0 ADADHN CCN[C@@H](C)c1ccc(F)cn1 86705893 573586394 /nfs/dbraw/zinc/58/63/94/573586394.db2.gz XQJHBDRFJSXHSO-ZETCQYMHSA-N 0 3 168.215 1.891 20 0 ADADHN COCCCCNCc1cc(C)n[nH]1 308631582 573590504 /nfs/dbraw/zinc/59/05/04/573590504.db2.gz ZEWRSYNFMZQVQO-UHFFFAOYSA-N 0 3 197.282 1.234 20 0 ADADHN C/C=C/C(=O)N(C)[C@@H]1CCCN(C)C1 83811202 573655654 /nfs/dbraw/zinc/65/56/54/573655654.db2.gz IMNITNUCVMWTQG-DFVUYQKZSA-N 0 3 196.294 1.115 20 0 ADADHN CC1(C)CCC[C@@H]1NCc1nc[nH]n1 86856873 573656473 /nfs/dbraw/zinc/65/64/73/573656473.db2.gz VTNVFPWUEPDCQM-QMMMGPOBSA-N 0 3 194.282 1.473 20 0 ADADHN CC1(C)CCC[C@@H]1NCc1nnc[nH]1 86856873 573656478 /nfs/dbraw/zinc/65/64/78/573656478.db2.gz VTNVFPWUEPDCQM-QMMMGPOBSA-N 0 3 194.282 1.473 20 0 ADADHN CC(C)(NCCO)c1ccc(F)cc1 308664060 573663733 /nfs/dbraw/zinc/66/37/33/573663733.db2.gz RLGFJTZYHUKTPW-UHFFFAOYSA-N 0 3 197.253 1.643 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2ncnn2C)C1 122035755 573686607 /nfs/dbraw/zinc/68/66/07/573686607.db2.gz GBPWPSJLVXYQOY-RKDXNWHRSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H](N)C(=O)Nc1ccc(Cl)nc1 122109655 573697187 /nfs/dbraw/zinc/69/71/87/573697187.db2.gz SJIKUQZFNWZECV-YFKPBYRVSA-N 0 3 199.641 1.021 20 0 ADADHN C[C@H]1C[C@@H](NCc2c[nH]cn2)CS1 86936322 573706906 /nfs/dbraw/zinc/70/69/06/573706906.db2.gz KPEAJSXWRDRNKY-JGVFFNPUSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H]1C[C@@H](NCc2cnc[nH]2)CS1 86936322 573706911 /nfs/dbraw/zinc/70/69/11/573706911.db2.gz KPEAJSXWRDRNKY-JGVFFNPUSA-N 0 3 197.307 1.393 20 0 ADADHN C[C@H](N[C@@H]1COC[C@@H]1C)c1ccco1 687966109 573732318 /nfs/dbraw/zinc/73/23/18/573732318.db2.gz MNRJMASEYIVWHI-LPEHRKFASA-N 0 3 195.262 1.965 20 0 ADADHN N[C@@H]1Cc2cccc(Cl)c21 258422319 573768664 /nfs/dbraw/zinc/76/86/64/573768664.db2.gz CCDRHACEUZHRRR-SSDOTTSWSA-N 0 3 153.612 1.896 20 0 ADADHN CCCCCCNC1(C(N)=O)CC1 308434778 573773646 /nfs/dbraw/zinc/77/36/46/573773646.db2.gz VNZUSVVPZFSWPN-UHFFFAOYSA-N 0 3 184.283 1.174 20 0 ADADHN Cc1cc(CNCCC2CCC2)[nH]n1 308729647 573796200 /nfs/dbraw/zinc/79/62/00/573796200.db2.gz ISZLAFQFVYNSTH-UHFFFAOYSA-N 0 3 193.294 1.998 20 0 ADADHN C[C@@H]1COC[C@@H]1NCc1ccns1 687981666 573826408 /nfs/dbraw/zinc/82/64/08/573826408.db2.gz XCNCQKYBGJCEPA-APPZFPTMSA-N 0 3 198.291 1.268 20 0 ADADHN C[C@H]1COC[C@@H]1NCc1ccns1 687981753 573826566 /nfs/dbraw/zinc/82/65/66/573826566.db2.gz XCNCQKYBGJCEPA-CBAPKCEASA-N 0 3 198.291 1.268 20 0 ADADHN CC(C)CN1CC(O)(C(C)C)C1 84376641 573861672 /nfs/dbraw/zinc/86/16/72/573861672.db2.gz KHUPTEWUXSQZKO-UHFFFAOYSA-N 0 3 171.284 1.345 20 0 ADADHN CC(C)C(=O)NC1(CN(C)C)CCC1 393566367 573867153 /nfs/dbraw/zinc/86/71/53/573867153.db2.gz FAGGFXNVJMIBIM-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCC(C)(C)NC(=O)[C@H](N)CC1CC1 308459699 573876173 /nfs/dbraw/zinc/87/61/73/573876173.db2.gz FVFGIAOVJUDBCG-SECBINFHSA-N 0 3 198.310 1.419 20 0 ADADHN CCC(C)(C)NC(=O)[C@@H](N)CC1CC1 308459701 573878061 /nfs/dbraw/zinc/87/80/61/573878061.db2.gz FVFGIAOVJUDBCG-VIFPVBQESA-N 0 3 198.310 1.419 20 0 ADADHN C1=CC[C@@H](NCc2c[nH]cn2)CC1 80122761 573878204 /nfs/dbraw/zinc/87/82/04/573878204.db2.gz OQSOOMVEMGPPLJ-SECBINFHSA-N 0 3 177.251 1.608 20 0 ADADHN C[C@@H]([C@@H](C)O)N(C)Cc1ccccn1 44133605 573884206 /nfs/dbraw/zinc/88/42/06/573884206.db2.gz LHXPBUUFXIDVLE-VHSXEESVSA-N 0 3 194.278 1.283 20 0 ADADHN CCN[C@@H](CC)c1ncc[nH]1 87342070 573886205 /nfs/dbraw/zinc/88/62/05/573886205.db2.gz WZLXBGKXNFGUNT-ZETCQYMHSA-N 0 3 153.229 1.470 20 0 ADADHN CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@@H](C)C1 102277412 573898720 /nfs/dbraw/zinc/89/87/20/573898720.db2.gz UWEFXRGNNCDIFU-KXUCPTDWSA-N 0 3 198.310 1.275 20 0 ADADHN CCn1nnc(CN)c1C1CCCC1 257902818 573901135 /nfs/dbraw/zinc/90/11/35/573901135.db2.gz YYVAMEXZEOQLOS-UHFFFAOYSA-N 0 3 194.282 1.414 20 0 ADADHN Cc1cc(CNC(C)(C)CO)c(C)o1 127634516 573934294 /nfs/dbraw/zinc/93/42/94/573934294.db2.gz RWFMKPDXODIYMU-UHFFFAOYSA-N 0 3 197.278 1.757 20 0 ADADHN CNC1(C(=O)NCCC2CC2)CCC1 308468590 573937427 /nfs/dbraw/zinc/93/74/27/573937427.db2.gz HGOKDJDLUFJHFN-UHFFFAOYSA-N 0 3 196.294 1.045 20 0 ADADHN CCN(Cc1ccnn1C)C(C)C 308467454 573941002 /nfs/dbraw/zinc/94/10/02/573941002.db2.gz JJQJTENCSQXHOK-UHFFFAOYSA-N 0 3 181.283 1.650 20 0 ADADHN Cc1cc(CNCC[C@H](C)O)c(C)o1 127648167 573946312 /nfs/dbraw/zinc/94/63/12/573946312.db2.gz FRTJFTJMWQQDKK-QMMMGPOBSA-N 0 3 197.278 1.757 20 0 ADADHN CC(C)C(=O)NC[C@@H]1CCCCN1C 81561721 573952412 /nfs/dbraw/zinc/95/24/12/573952412.db2.gz GOWUQSQEMQTASW-JTQLQIEISA-N 0 3 198.310 1.243 20 0 ADADHN CCCCN(CCO)Cc1cnc[nH]1 128013067 573991510 /nfs/dbraw/zinc/99/15/10/573991510.db2.gz LHOCKRGQCQYVAN-UHFFFAOYSA-N 0 3 197.282 1.004 20 0 ADADHN COc1cc2c(cc1F)OCC[C@H]2N 104488686 574005716 /nfs/dbraw/zinc/00/57/16/574005716.db2.gz NPXIOWQKCYOJLM-MRVPVSSYSA-N 0 3 197.209 1.617 20 0 ADADHN N[C@@H]1COc2cc(Cl)c(F)cc21 104504393 574018596 /nfs/dbraw/zinc/01/85/96/574018596.db2.gz AJEJEEYUCLADRJ-SSDOTTSWSA-N 0 3 187.601 1.871 20 0 ADADHN Cc1ccc(CNCC2CC2)nc1 87782211 574033444 /nfs/dbraw/zinc/03/34/44/574033444.db2.gz LSITVJQNZKEYHE-UHFFFAOYSA-N 0 3 176.263 1.890 20 0 ADADHN COc1ccc2c(c1)[C@H](N)[C@H](F)CC2 536953544 518162567 /nfs/dbraw/zinc/16/25/67/518162567.db2.gz MMOUFIKZBCLGQE-MNOVXSKESA-N 0 3 195.237 1.979 20 0 ADADHN CC(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 88055707 519511756 /nfs/dbraw/zinc/51/17/56/519511756.db2.gz DUDXIEQCBHQYMW-VHSXEESVSA-N 0 3 198.310 1.241 20 0 ADADHN CC(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 88055706 519512270 /nfs/dbraw/zinc/51/22/70/519512270.db2.gz DUDXIEQCBHQYMW-NXEZZACHSA-N 0 3 198.310 1.241 20 0 ADADHN CC[C@@](C)(N)c1cc(C)no1 901395327 630747655 /nfs/dbraw/zinc/74/76/55/630747655.db2.gz XNAXFVOECGGANE-MRVPVSSYSA-N 0 3 154.213 1.567 20 0 ADADHN C[C@H](C1CC1)N(C)Cc1cn[nH]c1 388852963 538438325 /nfs/dbraw/zinc/43/83/25/538438325.db2.gz BTJZPELWKQFCPF-MRVPVSSYSA-N 0 3 179.267 1.640 20 0 ADADHN CC[NH2+]Cc1cc([O-])cc(F)c1 159583196 519993402 /nfs/dbraw/zinc/99/34/02/519993402.db2.gz LPHPGZKHFWHQAA-UHFFFAOYSA-N 0 3 169.199 1.641 20 0 ADADHN CCN[C@@H](C)c1cn(C)nc1C 83569294 520080260 /nfs/dbraw/zinc/08/02/60/520080260.db2.gz VCGPEUAFDDXHCL-ZETCQYMHSA-N 0 3 167.256 1.399 20 0 ADADHN CC1(C)C(NC(=O)C2(N)CC2)C1(C)C 86240715 520250013 /nfs/dbraw/zinc/25/00/13/520250013.db2.gz HYTJFGVFIRDRIS-UHFFFAOYSA-N 0 3 196.294 1.029 20 0 ADADHN CCN(CC1OCCO1)C1CCC1 306527969 629656432 /nfs/dbraw/zinc/65/64/32/629656432.db2.gz ZIVXNIXMGIZGJT-UHFFFAOYSA-N 0 3 185.267 1.234 20 0 ADADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCF 306634141 629664924 /nfs/dbraw/zinc/66/49/24/629664924.db2.gz UUTMQNZWQLPOKR-UTLUCORTSA-N 0 3 189.274 1.437 20 0 ADADHN Cc1nnc([C@H](C)N[C@@H]2CC[C@@H]2C)[nH]1 306629541 629665299 /nfs/dbraw/zinc/66/52/99/629665299.db2.gz CHSVFINSJZHEBY-ACLDMZEESA-N 0 3 194.282 1.562 20 0 ADADHN Cc1nnc([C@H](C)N[C@@H]2CC[C@H]2C)[nH]1 306629542 629666134 /nfs/dbraw/zinc/66/61/34/629666134.db2.gz CHSVFINSJZHEBY-BKPPORCPSA-N 0 3 194.282 1.562 20 0 ADADHN C[C@H]1CCCCN1CC1OCCO1 306647445 629666759 /nfs/dbraw/zinc/66/67/59/629666759.db2.gz BRGLWNULNAKJCW-VIFPVBQESA-N 0 3 185.267 1.234 20 0 ADADHN C[C@@H]1CCCCN1CC1OCCO1 306647442 629666820 /nfs/dbraw/zinc/66/68/20/629666820.db2.gz BRGLWNULNAKJCW-SECBINFHSA-N 0 3 185.267 1.234 20 0 ADADHN C[C@@H]1CCN(CCF)[C@@H]([C@@H](C)O)C1 306634140 629666982 /nfs/dbraw/zinc/66/69/82/629666982.db2.gz UUTMQNZWQLPOKR-OPRDCNLKSA-N 0 3 189.274 1.437 20 0 ADADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCF 306634139 629667403 /nfs/dbraw/zinc/66/74/03/629667403.db2.gz UUTMQNZWQLPOKR-KXUCPTDWSA-N 0 3 189.274 1.437 20 0 ADADHN Cc1nnc([C@H](C)N[C@H]2CC[C@H]2C)[nH]1 306629543 629667461 /nfs/dbraw/zinc/66/74/61/629667461.db2.gz CHSVFINSJZHEBY-FJXKBIBVSA-N 0 3 194.282 1.562 20 0 ADADHN Cc1cnccc1CNC1CSC1 306614524 629667581 /nfs/dbraw/zinc/66/75/81/629667581.db2.gz OSOAFZRBOZURGP-UHFFFAOYSA-N 0 3 194.303 1.595 20 0 ADADHN Cn1cnc(CN[C@H]2CCC2(C)C)c1 306786418 629678698 /nfs/dbraw/zinc/67/86/98/629678698.db2.gz KVSUQCXFPCUQSD-JTQLQIEISA-N 0 3 193.294 1.698 20 0 ADADHN Cn1cnc(CN[C@@H]2CCC2(C)C)c1 306786419 629679760 /nfs/dbraw/zinc/67/97/60/629679760.db2.gz KVSUQCXFPCUQSD-SNVBAGLBSA-N 0 3 193.294 1.698 20 0 ADADHN CC(C)CCN(C)CC1OCCO1 306918501 629680790 /nfs/dbraw/zinc/68/07/90/629680790.db2.gz CLQYXDHAELGURL-UHFFFAOYSA-N 0 3 187.283 1.337 20 0 ADADHN CCCN(CC1OCCO1)C1CC1 306918493 629682866 /nfs/dbraw/zinc/68/28/66/629682866.db2.gz CKQJOAHWPNQJPD-UHFFFAOYSA-N 0 3 185.267 1.234 20 0 ADADHN FCCN1CC[C@]2(CCOC2)C1 306386697 629693047 /nfs/dbraw/zinc/69/30/47/629693047.db2.gz SXICRDKAIRKBTM-VIFPVBQESA-N 0 3 173.231 1.068 20 0 ADADHN FCCN1CC[C@@]2(CCOC2)C1 306386696 629695194 /nfs/dbraw/zinc/69/51/94/629695194.db2.gz SXICRDKAIRKBTM-SECBINFHSA-N 0 3 173.231 1.068 20 0 ADADHN CC1CCN(CC2OCCO2)CC1 306975290 629702412 /nfs/dbraw/zinc/70/24/12/629702412.db2.gz ZDWQLIFCIQYVCD-UHFFFAOYSA-N 0 3 185.267 1.091 20 0 ADADHN C[C@@H]1C[C@@H]1CN1CCn2cccc2C1 932526649 629722938 /nfs/dbraw/zinc/72/29/38/629722938.db2.gz OBBYBJLTUQYXQL-GHMZBOCLSA-N 0 3 190.290 1.960 20 0 ADADHN C[C@H]1C[C@H]1CN1CCn2cccc2C1 932526657 629723207 /nfs/dbraw/zinc/72/32/07/629723207.db2.gz OBBYBJLTUQYXQL-QWRGUYRKSA-N 0 3 190.290 1.960 20 0 ADADHN C[C@H]1C[C@@H]1CN1CCn2cccc2C1 932526658 629724932 /nfs/dbraw/zinc/72/49/32/629724932.db2.gz OBBYBJLTUQYXQL-WDEREUQCSA-N 0 3 190.290 1.960 20 0 ADADHN C[C@@H]1C[C@H]1CN1CCn2cccc2C1 932526656 629725410 /nfs/dbraw/zinc/72/54/10/629725410.db2.gz OBBYBJLTUQYXQL-MNOVXSKESA-N 0 3 190.290 1.960 20 0 ADADHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccco1 306994331 629729404 /nfs/dbraw/zinc/72/94/04/629729404.db2.gz NGFOVTCIZOTXGM-DJLDLDEBSA-N 0 3 181.235 1.454 20 0 ADADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccco1 306994332 629730087 /nfs/dbraw/zinc/73/00/87/629730087.db2.gz NGFOVTCIZOTXGM-IWSPIJDZSA-N 0 3 181.235 1.454 20 0 ADADHN C[C@@H]1CCCN(CC2OCCO2)C1 307187910 629750836 /nfs/dbraw/zinc/75/08/36/629750836.db2.gz WRHYFZVRKYOKEX-SECBINFHSA-N 0 3 185.267 1.091 20 0 ADADHN Cc1nnc([C@H](C)NC2CCCC2)[nH]1 307202366 629754746 /nfs/dbraw/zinc/75/47/46/629754746.db2.gz DSKFIBZBWOSOJX-ZETCQYMHSA-N 0 3 194.282 1.706 20 0 ADADHN Cc1nnc([C@@H](C)NC2CCCC2)[nH]1 307202364 629754832 /nfs/dbraw/zinc/75/48/32/629754832.db2.gz DSKFIBZBWOSOJX-SSDOTTSWSA-N 0 3 194.282 1.706 20 0 ADADHN Cn1ncc(CNC2(C)CCCC2)n1 307259414 629756791 /nfs/dbraw/zinc/75/67/91/629756791.db2.gz RIAHLERIQWZNFJ-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN C[C@@H]1CN(C/C=C/Cl)C[C@@H]1O 307465216 629769713 /nfs/dbraw/zinc/76/97/13/629769713.db2.gz JEMLCRXTUDFJKT-TZIBCRCASA-N 0 3 175.659 1.052 20 0 ADADHN C[C@@H]1CN(C/C=C/Cl)C[C@H]1O 307465218 629770135 /nfs/dbraw/zinc/77/01/35/629770135.db2.gz JEMLCRXTUDFJKT-YEMZYZDBSA-N 0 3 175.659 1.052 20 0 ADADHN C/C=C/C(=O)N1CCCN(CC)CC1 307546932 629778126 /nfs/dbraw/zinc/77/81/26/629778126.db2.gz MRHHJFBMTIQWGR-ZZXKWVIFSA-N 0 3 196.294 1.117 20 0 ADADHN FCCN1CCC2(CCC2)C1 307521090 629778560 /nfs/dbraw/zinc/77/85/60/629778560.db2.gz SRXMZRCXBZUIMQ-UHFFFAOYSA-N 0 3 157.232 1.832 20 0 ADADHN CC1(C)CCN(CC2OCCO2)C1 307612769 629792096 /nfs/dbraw/zinc/79/20/96/629792096.db2.gz LNGJECMWENCTSS-UHFFFAOYSA-N 0 3 185.267 1.091 20 0 ADADHN OCc1cc(N2C[C@H]3C[C@H]3C2)ccn1 307607435 629792662 /nfs/dbraw/zinc/79/26/62/629792662.db2.gz FLFREFXKSZBGOY-DTORHVGOSA-N 0 3 190.246 1.030 20 0 ADADHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccoc1 307616121 629796614 /nfs/dbraw/zinc/79/66/14/629796614.db2.gz PPBAGUQNAXHJDN-FXBDTBDDSA-N 0 3 181.235 1.454 20 0 ADADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccoc1 307616144 629798458 /nfs/dbraw/zinc/79/84/58/629798458.db2.gz PPBAGUQNAXHJDN-SZEHBUNVSA-N 0 3 181.235 1.454 20 0 ADADHN CCCCN1CC(C(F)F)C1 307678148 629800392 /nfs/dbraw/zinc/80/03/92/629800392.db2.gz NOBDNTCLZQCDNI-UHFFFAOYSA-N 0 3 163.211 1.983 20 0 ADADHN COC[C@H]1CCCN1CCF 307692943 629804200 /nfs/dbraw/zinc/80/42/00/629804200.db2.gz SMXQHNWLAPUFIJ-MRVPVSSYSA-N 0 3 161.220 1.067 20 0 ADADHN COC[C@@H]1CCCN1CCF 307692944 629804531 /nfs/dbraw/zinc/80/45/31/629804531.db2.gz SMXQHNWLAPUFIJ-QMMMGPOBSA-N 0 3 161.220 1.067 20 0 ADADHN CCN[C@H](C)C(=O)Nc1nccs1 307755168 629810728 /nfs/dbraw/zinc/81/07/28/629810728.db2.gz CQRVBBJGMVSTEN-ZCFIWIBFSA-N 0 3 199.279 1.080 20 0 ADADHN CCN[C@@H](C)C(=O)Nc1nccs1 307755167 629811162 /nfs/dbraw/zinc/81/11/62/629811162.db2.gz CQRVBBJGMVSTEN-LURJTMIESA-N 0 3 199.279 1.080 20 0 ADADHN CC(C)N(CC1OCCO1)C1CC1 307747430 629811170 /nfs/dbraw/zinc/81/11/70/629811170.db2.gz YPVXLDGLSJPWSI-UHFFFAOYSA-N 0 3 185.267 1.232 20 0 ADADHN FCCNC[C@H]1CCC=CO1 307760906 629817112 /nfs/dbraw/zinc/81/71/12/629817112.db2.gz XNNNVHNCONEGFS-MRVPVSSYSA-N 0 3 159.204 1.238 20 0 ADADHN FCCNC[C@@H]1CCC=CO1 307760907 629817483 /nfs/dbraw/zinc/81/74/83/629817483.db2.gz XNNNVHNCONEGFS-QMMMGPOBSA-N 0 3 159.204 1.238 20 0 ADADHN C/C=C\C(=O)N1CCCN(CC)CC1 307774771 629818085 /nfs/dbraw/zinc/81/80/85/629818085.db2.gz MRHHJFBMTIQWGR-UTCJRWHESA-N 0 3 196.294 1.117 20 0 ADADHN CC[C@@H](C)CNCc1ccon1 88052793 629818672 /nfs/dbraw/zinc/81/86/72/629818672.db2.gz IGEKODJUDGPLSK-MRVPVSSYSA-N 0 3 168.240 1.810 20 0 ADADHN CC[C@H](C)CNCc1ccon1 88052794 629818817 /nfs/dbraw/zinc/81/88/17/629818817.db2.gz IGEKODJUDGPLSK-QMMMGPOBSA-N 0 3 168.240 1.810 20 0 ADADHN C[C@]1(O)CCN(C/C=C\Cl)C1 307900166 629821124 /nfs/dbraw/zinc/82/11/24/629821124.db2.gz RQUIHHUQZPDAQT-LTMVXPGCSA-N 0 3 175.659 1.196 20 0 ADADHN CCCCCNC(=O)[C@@H](N)CC1CC1 238245931 629821770 /nfs/dbraw/zinc/82/17/70/629821770.db2.gz GVPMYZXJSKWMRH-JTQLQIEISA-N 0 3 198.310 1.420 20 0 ADADHN CCCN(CC)C(C)(C)C(=O)OC 933187756 629833306 /nfs/dbraw/zinc/83/33/06/629833306.db2.gz INHUQDAPEXRZCD-UHFFFAOYSA-N 0 3 187.283 1.670 20 0 ADADHN CCN(CC1CC1)C(C)(C)C(=O)OC 933187821 629834256 /nfs/dbraw/zinc/83/42/56/629834256.db2.gz OOVUGHXZFXMUKQ-UHFFFAOYSA-N 0 3 199.294 1.670 20 0 ADADHN CCOCCN(C)CCC(=O)CC 308189355 629843661 /nfs/dbraw/zinc/84/36/61/629843661.db2.gz MDMCCJQARQXCIM-UHFFFAOYSA-N 0 3 187.283 1.324 20 0 ADADHN CCN(CCC(F)(F)F)C[C@@H](C)O 308219824 629846595 /nfs/dbraw/zinc/84/65/95/629846595.db2.gz KTAOIIKJPWCBTG-SSDOTTSWSA-N 0 3 199.216 1.642 20 0 ADADHN CCN(CCC(F)(F)F)C[C@H](C)O 308219826 629848594 /nfs/dbraw/zinc/84/85/94/629848594.db2.gz KTAOIIKJPWCBTG-ZETCQYMHSA-N 0 3 199.216 1.642 20 0 ADADHN C[C@@H](NCCC1CC1)c1ncc[nH]1 308251793 629850689 /nfs/dbraw/zinc/85/06/89/629850689.db2.gz HUPACZCJLMZTRP-MRVPVSSYSA-N 0 3 179.267 1.860 20 0 ADADHN COC[C@H]1COCCN1CC1CCC1 933328496 629854231 /nfs/dbraw/zinc/85/42/31/629854231.db2.gz XDICJKFSTKUTQD-NSHDSACASA-N 0 3 199.294 1.134 20 0 ADADHN COC[C@@H]1COCCN1CC1CCC1 933328495 629854339 /nfs/dbraw/zinc/85/43/39/629854339.db2.gz XDICJKFSTKUTQD-LLVKDONJSA-N 0 3 199.294 1.134 20 0 ADADHN CC[C@@H](O)[C@H]1CCCCN1CCF 308308803 629856065 /nfs/dbraw/zinc/85/60/65/629856065.db2.gz PUIWKSFYEJYLPS-NXEZZACHSA-N 0 3 189.274 1.581 20 0 ADADHN CCC[C@@H](C)NCc1cn(C)cn1 308326942 629859091 /nfs/dbraw/zinc/85/90/91/629859091.db2.gz GZGLKNZIASUXJL-SECBINFHSA-N 0 3 181.283 1.698 20 0 ADADHN CCC[C@H](C)NCc1cn(C)cn1 308326943 629859200 /nfs/dbraw/zinc/85/92/00/629859200.db2.gz GZGLKNZIASUXJL-VIFPVBQESA-N 0 3 181.283 1.698 20 0 ADADHN COCCN(C)CCC(=O)C(C)C 308383513 629862321 /nfs/dbraw/zinc/86/23/21/629862321.db2.gz VTCZTQUXYPEHDB-UHFFFAOYSA-N 0 3 187.283 1.180 20 0 ADADHN CC(C)SCCN1CC[C@H]1CO 934014187 629865591 /nfs/dbraw/zinc/86/55/91/629865591.db2.gz ABYVRCCMFNUIQM-VIFPVBQESA-N 0 3 189.324 1.195 20 0 ADADHN CC1(C)CC[C@@H](CN2CC[C@@H]2CO)O1 934012737 629866113 /nfs/dbraw/zinc/86/61/13/629866113.db2.gz CVYZBQHPDARPNX-ZJUUUORDSA-N 0 3 199.294 1.011 20 0 ADADHN CC1(C)CC[C@H](CN2CC[C@@H]2CO)O1 934012733 629866731 /nfs/dbraw/zinc/86/67/31/629866731.db2.gz CVYZBQHPDARPNX-NXEZZACHSA-N 0 3 199.294 1.011 20 0 ADADHN CC1(C)CC[C@@H](CN2CC[C@H]2CO)O1 934012734 629867069 /nfs/dbraw/zinc/86/70/69/629867069.db2.gz CVYZBQHPDARPNX-UWVGGRQHSA-N 0 3 199.294 1.011 20 0 ADADHN CC1(C)CC[C@H](CN2CC[C@H]2CO)O1 934012735 629868172 /nfs/dbraw/zinc/86/81/72/629868172.db2.gz CVYZBQHPDARPNX-VHSXEESVSA-N 0 3 199.294 1.011 20 0 ADADHN CC(C)SCCN1CC[C@@H]1CO 934014185 629868577 /nfs/dbraw/zinc/86/85/77/629868577.db2.gz ABYVRCCMFNUIQM-SECBINFHSA-N 0 3 189.324 1.195 20 0 ADADHN CC(C)OC1CC(N2CC[C@@H]2CO)C1 934019940 629874591 /nfs/dbraw/zinc/87/45/91/629874591.db2.gz UCQJDMWKZRBEOV-KPPDAEKUSA-N 0 3 199.294 1.009 20 0 ADADHN CC(C)=CCN1CC[C@H]1CO 934019285 629875323 /nfs/dbraw/zinc/87/53/23/629875323.db2.gz NPFAZPJEZZOPNF-VIFPVBQESA-N 0 3 155.241 1.019 20 0 ADADHN CC(C)=CCN1CC[C@@H]1CO 934019284 629876119 /nfs/dbraw/zinc/87/61/19/629876119.db2.gz NPFAZPJEZZOPNF-SECBINFHSA-N 0 3 155.241 1.019 20 0 ADADHN CC(C)OC1CC(N2CC[C@H]2CO)C1 934019941 629876390 /nfs/dbraw/zinc/87/63/90/629876390.db2.gz UCQJDMWKZRBEOV-WHXUTIOJSA-N 0 3 199.294 1.009 20 0 ADADHN Cc1ccc(CN2CC[C@H]2CO)cc1 934027355 629876573 /nfs/dbraw/zinc/87/65/73/629876573.db2.gz KARNGSCBAKHMGV-LBPRGKRZSA-N 0 3 191.274 1.562 20 0 ADADHN Cc1ccc(CN2CC[C@@H]2CO)cc1 934027352 629877004 /nfs/dbraw/zinc/87/70/04/629877004.db2.gz KARNGSCBAKHMGV-GFCCVEGCSA-N 0 3 191.274 1.562 20 0 ADADHN Cc1cccc(CN2CC[C@@H]2CO)c1 934029671 629878087 /nfs/dbraw/zinc/87/80/87/629878087.db2.gz VYBRLQIUJPUMHZ-GFCCVEGCSA-N 0 3 191.274 1.562 20 0 ADADHN Cc1cccc(CN2CC[C@H]2CO)c1 934029672 629878223 /nfs/dbraw/zinc/87/82/23/629878223.db2.gz VYBRLQIUJPUMHZ-LBPRGKRZSA-N 0 3 191.274 1.562 20 0 ADADHN CC[C@]1(NCc2ccco2)CCOC1 393676501 629904953 /nfs/dbraw/zinc/90/49/53/629904953.db2.gz ADHSHBAVMXHRHK-NSHDSACASA-N 0 3 195.262 1.938 20 0 ADADHN Cc1cc(CNCc2cc[nH]c2)n[nH]1 393676570 629908568 /nfs/dbraw/zinc/90/85/68/629908568.db2.gz ALBXNPRYQVUHSL-UHFFFAOYSA-N 0 3 190.250 1.336 20 0 ADADHN CC[C@@]1(NCc2ccco2)CCOC1 393676499 629908606 /nfs/dbraw/zinc/90/86/06/629908606.db2.gz ADHSHBAVMXHRHK-LLVKDONJSA-N 0 3 195.262 1.938 20 0 ADADHN CCC[C@H](C)N[C@H](C)c1cnn(C)n1 924525484 629916195 /nfs/dbraw/zinc/91/61/95/629916195.db2.gz IHAOJZUVUDUVCV-DTWKUNHWSA-N 0 3 196.298 1.654 20 0 ADADHN CCC[C@@H](C)N[C@@H](C)c1cnn(C)n1 924525483 629916301 /nfs/dbraw/zinc/91/63/01/629916301.db2.gz IHAOJZUVUDUVCV-BDAKNGLRSA-N 0 3 196.298 1.654 20 0 ADADHN CCc1onc(C)c1CNCCCO 892427666 629917201 /nfs/dbraw/zinc/91/72/01/629917201.db2.gz SOYUOAVEOXZSBT-UHFFFAOYSA-N 0 3 198.266 1.017 20 0 ADADHN COc1ccnc([C@H](C)NC2CC2)c1 924531768 629922986 /nfs/dbraw/zinc/92/29/86/629922986.db2.gz PWUDMYFYJOQBNP-QMMMGPOBSA-N 0 3 192.262 1.903 20 0 ADADHN COc1ccnc([C@@H](C)NC2CC2)c1 924531766 629923360 /nfs/dbraw/zinc/92/33/60/629923360.db2.gz PWUDMYFYJOQBNP-MRVPVSSYSA-N 0 3 192.262 1.903 20 0 ADADHN CCc1noc(C2(CN(C)C)CC2)n1 923777140 629923968 /nfs/dbraw/zinc/92/39/68/629923968.db2.gz LTGXSTJXTIUVSK-UHFFFAOYSA-N 0 3 195.266 1.225 20 0 ADADHN C[C@H](N[C@H](C)C1CC1)c1cnn(C)n1 924569832 629941791 /nfs/dbraw/zinc/94/17/91/629941791.db2.gz GOHIWGPQYCIVNA-SFYZADRCSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@@H](N[C@H](C)C1CC1)c1cnn(C)n1 924569830 629943960 /nfs/dbraw/zinc/94/39/60/629943960.db2.gz GOHIWGPQYCIVNA-HTQZYQBOSA-N 0 3 194.282 1.264 20 0 ADADHN CCN[C@H](c1nncn1C)C(C)C 393718036 629949288 /nfs/dbraw/zinc/94/92/88/629949288.db2.gz QGTRAINEKKIGFW-QMMMGPOBSA-N 0 3 182.271 1.122 20 0 ADADHN CCN[C@@H](c1nncn1C)C(C)C 393718035 629950060 /nfs/dbraw/zinc/95/00/60/629950060.db2.gz QGTRAINEKKIGFW-MRVPVSSYSA-N 0 3 182.271 1.122 20 0 ADADHN C[C@@H](N)C(=O)NC[C@H](C)C(C)(C)C 162004069 629956389 /nfs/dbraw/zinc/95/63/89/629956389.db2.gz UPWFYDAVCPZKTB-JGVFFNPUSA-N 0 3 186.299 1.132 20 0 ADADHN C[C@@]1(O)CCN(C/C=C\Cl)C1 307900165 629968724 /nfs/dbraw/zinc/96/87/24/629968724.db2.gz RQUIHHUQZPDAQT-DLRBJTRDSA-N 0 3 175.659 1.196 20 0 ADADHN Cc1cc(N)nc(NCCC2CC2)n1 892702651 629979253 /nfs/dbraw/zinc/97/92/53/629979253.db2.gz FXKQOHREQMHXLI-UHFFFAOYSA-N 0 3 192.266 1.579 20 0 ADADHN CC[C@H](C)NC(=O)[C@H](N)CC1CC1 308172062 629993712 /nfs/dbraw/zinc/99/37/12/629993712.db2.gz CQZVHRRTOQSKSG-IONNQARKSA-N 0 3 184.283 1.029 20 0 ADADHN CCCN(C)C(=O)[C@H]1C[C@H](C)CCN1 167391658 521470061 /nfs/dbraw/zinc/47/00/61/521470061.db2.gz POCCLWNVXIIXIT-NXEZZACHSA-N 0 3 198.310 1.243 20 0 ADADHN CCCCN1CCC[C@H]1c1nc[nH]n1 931134653 631120702 /nfs/dbraw/zinc/12/07/02/631120702.db2.gz FNVCVUCRRYCKTM-VIFPVBQESA-N 0 3 194.282 1.742 20 0 ADADHN CNCC(=O)Nc1cc(C)cc(F)c1 85731107 521965154 /nfs/dbraw/zinc/96/51/54/521965154.db2.gz LDZQSNSRPBKSGQ-UHFFFAOYSA-N 0 3 196.225 1.292 20 0 ADADHN Cc1nn(C)cc1CNC1CC(C)C1 160161776 527693119 /nfs/dbraw/zinc/69/31/19/527693119.db2.gz YKLTZBQZUROHOI-UHFFFAOYSA-N 0 3 193.294 1.617 20 0 ADADHN CC[C@H](N)C(=O)N1CCC[C@H]1C(C)C 82263591 522324649 /nfs/dbraw/zinc/32/46/49/522324649.db2.gz XXZBEBMAMGDAMX-UWVGGRQHSA-N 0 3 198.310 1.371 20 0 ADADHN COc1cc(N)ccc1CN(C)C 84900098 522625710 /nfs/dbraw/zinc/62/57/10/522625710.db2.gz WSLXRBJGCIJBBC-UHFFFAOYSA-N 0 3 180.251 1.339 20 0 ADADHN CN(CC1CCCC1)C(=O)C1(N)CC1 83836157 522642767 /nfs/dbraw/zinc/64/27/67/522642767.db2.gz KZJVVQZILSUFIP-UHFFFAOYSA-N 0 3 196.294 1.126 20 0 ADADHN CC[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 158323341 523328657 /nfs/dbraw/zinc/32/86/57/523328657.db2.gz KPVKYDMIEYFHCP-ZJUUUORDSA-N 0 3 198.310 1.228 20 0 ADADHN CCc1cc(N2CCOCC2)ccn1 95936335 523796959 /nfs/dbraw/zinc/79/69/59/523796959.db2.gz VKQBYLXKTZXKIE-UHFFFAOYSA-N 0 3 192.262 1.481 20 0 ADADHN CN(CCF)C[C@H]1CCCC[C@@H]1O 308259657 630005231 /nfs/dbraw/zinc/00/52/31/630005231.db2.gz LTBJUAJRDRPCMB-ZJUUUORDSA-N 0 3 189.274 1.439 20 0 ADADHN COCCNCc1cc(C)oc1C 53292876 630009109 /nfs/dbraw/zinc/00/91/09/630009109.db2.gz HGWJFRISQLXZQN-UHFFFAOYSA-N 0 3 183.251 1.632 20 0 ADADHN CCC(=O)CCN(C)C[C@H](C)OC 308308218 630009458 /nfs/dbraw/zinc/00/94/58/630009458.db2.gz PMFXNWZRIIYLSH-VIFPVBQESA-N 0 3 187.283 1.322 20 0 ADADHN CCOC[C@H]1CCCN(CCF)C1 308318142 630010404 /nfs/dbraw/zinc/01/04/04/630010404.db2.gz YJTLGDXKHLYCCW-JTQLQIEISA-N 0 3 189.274 1.704 20 0 ADADHN CCC(CC)NC(=O)[C@@H](N)CC1CC1 308477714 630012528 /nfs/dbraw/zinc/01/25/28/630012528.db2.gz LSHJHAQVTLCOOG-JTQLQIEISA-N 0 3 198.310 1.419 20 0 ADADHN CC(C)CN(C)C(=O)[C@@H](N)CC1CC1 308491679 630012805 /nfs/dbraw/zinc/01/28/05/630012805.db2.gz RBWLAQOFOTUGSM-JTQLQIEISA-N 0 3 198.310 1.228 20 0 ADADHN CCOCCNCc1ccc(F)nc1 308513689 630015497 /nfs/dbraw/zinc/01/54/97/630015497.db2.gz LTRWWGXZVYXYGB-UHFFFAOYSA-N 0 3 198.241 1.347 20 0 ADADHN COC[C@H](C)NCc1ccc(F)nc1 308585628 630016356 /nfs/dbraw/zinc/01/63/56/630016356.db2.gz IFSIZYHXIIVPCS-QMMMGPOBSA-N 0 3 198.241 1.345 20 0 ADADHN COC[C@@H](C)NCc1ccc(F)nc1 308585627 630017268 /nfs/dbraw/zinc/01/72/68/630017268.db2.gz IFSIZYHXIIVPCS-MRVPVSSYSA-N 0 3 198.241 1.345 20 0 ADADHN CCC(C)(C)CNCc1cn(C)cn1 308593203 630017387 /nfs/dbraw/zinc/01/73/87/630017387.db2.gz WXABOVFJWZSXOV-UHFFFAOYSA-N 0 3 195.310 1.946 20 0 ADADHN CCCN[C@@H](C)c1cn(C(C)C)nn1 308523526 630017663 /nfs/dbraw/zinc/01/76/63/630017663.db2.gz ZLBYVUVWGUZVGL-VIFPVBQESA-N 0 3 196.298 1.920 20 0 ADADHN CCCN(C/C=C\Cl)CCO 216126862 630023816 /nfs/dbraw/zinc/02/38/16/630023816.db2.gz XOXDIRFNVPLEIJ-ARJAWSKDSA-N 0 3 177.675 1.443 20 0 ADADHN C[C@H](N[C@H](C)c1ncc[nH]1)C(C)(C)O 124815242 630040384 /nfs/dbraw/zinc/04/03/84/630040384.db2.gz ZNXGLHDLBHNREL-SFYZADRCSA-N 0 3 197.282 1.220 20 0 ADADHN CC1(C)CCN(CC2OCCO2)CC1 777569491 630041736 /nfs/dbraw/zinc/04/17/36/630041736.db2.gz ACCPVGSXDMAXMO-UHFFFAOYSA-N 0 3 199.294 1.481 20 0 ADADHN CCCCCCNCc1cn(C)nn1 54858915 630048469 /nfs/dbraw/zinc/04/84/69/630048469.db2.gz JTIWYJTZTPOUNX-UHFFFAOYSA-N 0 3 196.298 1.485 20 0 ADADHN OC[C@H]1CCCN(C/C=C\Cl)C1 214526845 630049638 /nfs/dbraw/zinc/04/96/38/630049638.db2.gz MDNGMKYRMGGLIS-MDHMXLOGSA-N 0 3 189.686 1.443 20 0 ADADHN CC[C@@H](CO)NCc1cc(C)ccn1 931772928 630055783 /nfs/dbraw/zinc/05/57/83/630055783.db2.gz DECDZHXCMYJXML-JTQLQIEISA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@H](CO)NCc1ccncc1F 931774588 630055943 /nfs/dbraw/zinc/05/59/43/630055943.db2.gz ZBOBZELIQQPUQA-SECBINFHSA-N 0 3 198.241 1.081 20 0 ADADHN CC[C@H](CO)NCc1cc(C)ccn1 931772930 630056238 /nfs/dbraw/zinc/05/62/38/630056238.db2.gz DECDZHXCMYJXML-SNVBAGLBSA-N 0 3 194.278 1.251 20 0 ADADHN CC[C@@H](CO)NCc1ccncc1F 931774590 630056753 /nfs/dbraw/zinc/05/67/53/630056753.db2.gz ZBOBZELIQQPUQA-VIFPVBQESA-N 0 3 198.241 1.081 20 0 ADADHN CSC[C@H](C)NCc1c[nH]cn1 124985687 630067380 /nfs/dbraw/zinc/06/73/80/630067380.db2.gz OEAOCOXXNWUCCV-ZETCQYMHSA-N 0 3 185.296 1.251 20 0 ADADHN C[C@@]1(O)CCN(C/C=C/Cl)C1 226271096 630059760 /nfs/dbraw/zinc/05/97/60/630059760.db2.gz RQUIHHUQZPDAQT-BYDTYLDUSA-N 0 3 175.659 1.196 20 0 ADADHN CC[C@@H](C)NCc1cn(C)cn1 233862199 630062631 /nfs/dbraw/zinc/06/26/31/630062631.db2.gz SMDKGERZRBLNDN-MRVPVSSYSA-N 0 3 167.256 1.308 20 0 ADADHN C[C@H](N[C@@H](C)C(C)(C)O)c1ncc[nH]1 124814974 630063435 /nfs/dbraw/zinc/06/34/35/630063435.db2.gz ZNXGLHDLBHNREL-YUMQZZPRSA-N 0 3 197.282 1.220 20 0 ADADHN CSC[C@@H](C)NCc1c[nH]cn1 124985880 630067706 /nfs/dbraw/zinc/06/77/06/630067706.db2.gz OEAOCOXXNWUCCV-SSDOTTSWSA-N 0 3 185.296 1.251 20 0 ADADHN Cc1ncoc1CN1CCCC1 893872705 630068816 /nfs/dbraw/zinc/06/88/16/630068816.db2.gz YYTMSMVMCDUMAW-UHFFFAOYSA-N 0 3 166.224 1.579 20 0 ADADHN Cc1ncoc1CN1CCCCC1 894097566 630072536 /nfs/dbraw/zinc/07/25/36/630072536.db2.gz NWYRHXQZCRDBNO-UHFFFAOYSA-N 0 3 180.251 1.969 20 0 ADADHN Cc1ncoc1CN[C@H](CO)C(C)C 894319634 630075298 /nfs/dbraw/zinc/07/52/98/630075298.db2.gz CPKBLICKTZFPGL-SECBINFHSA-N 0 3 198.266 1.090 20 0 ADADHN Cc1ncoc1CN[C@@H]1CCSC1 894315531 630075403 /nfs/dbraw/zinc/07/54/03/630075403.db2.gz KCAZSXUAGHHMRB-MRVPVSSYSA-N 0 3 198.291 1.578 20 0 ADADHN Cc1ncoc1CN[C@H]1CCSC1 894315532 630075454 /nfs/dbraw/zinc/07/54/54/630075454.db2.gz KCAZSXUAGHHMRB-QMMMGPOBSA-N 0 3 198.291 1.578 20 0 ADADHN CN(C(=O)CN)C1CCCCCCC1 83933720 630075640 /nfs/dbraw/zinc/07/56/40/630075640.db2.gz HVCFNKRMAPNXCM-UHFFFAOYSA-N 0 3 198.310 1.516 20 0 ADADHN CC[C@@H](C)Nc1nc(C)cc(N)n1 84446438 630078346 /nfs/dbraw/zinc/07/83/46/630078346.db2.gz LIVGSZFOYHYOEJ-ZCFIWIBFSA-N 0 3 180.255 1.578 20 0 ADADHN Cc1cc(N)nc(NCC(C)C)n1 84446436 630078467 /nfs/dbraw/zinc/07/84/67/630078467.db2.gz YWEMGBFVFAZUAA-UHFFFAOYSA-N 0 3 180.255 1.435 20 0 ADADHN O[C@H](CN1CCC1)c1ccccc1 306207670 630086771 /nfs/dbraw/zinc/08/67/71/630086771.db2.gz ZAQPGZXLUMKSCV-LLVKDONJSA-N 0 3 177.247 1.426 20 0 ADADHN CCN(CC1OCCO1)C(C)C 306276413 630093483 /nfs/dbraw/zinc/09/34/83/630093483.db2.gz GWNCJMDHQKYUTO-UHFFFAOYSA-N 0 3 173.256 1.090 20 0 ADADHN C[C@@H](O)CN1CCC(F)(F)CC1 306264757 630092402 /nfs/dbraw/zinc/09/24/02/630092402.db2.gz AVEARUCTBYWYAK-SSDOTTSWSA-N 0 3 179.210 1.098 20 0 ADADHN C[C@@H]1CN(C/C=C/Cl)CCN1C 306300550 630094632 /nfs/dbraw/zinc/09/46/32/630094632.db2.gz YYDDSHDDNPUDMS-CDAZIORVSA-N 0 3 188.702 1.375 20 0 ADADHN Cc1ccc([C@H](O)CN2CCC2)cc1 306300314 630095268 /nfs/dbraw/zinc/09/52/68/630095268.db2.gz UDEQWOVSNGXYKF-GFCCVEGCSA-N 0 3 191.274 1.734 20 0 ADADHN C[C@@H]1CCC[C@@H]1NCc1cnn(C)n1 306298226 630095815 /nfs/dbraw/zinc/09/58/15/630095815.db2.gz HFBPNMOGEKKMCO-SCZZXKLOSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@@H]1CCC[C@H]1NCc1cnn(C)n1 306298225 630096648 /nfs/dbraw/zinc/09/66/48/630096648.db2.gz HFBPNMOGEKKMCO-PSASIEDQSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CN(C/C=C/Cl)CCN1C 306300552 630096878 /nfs/dbraw/zinc/09/68/78/630096878.db2.gz YYDDSHDDNPUDMS-NWALNABHSA-N 0 3 188.702 1.375 20 0 ADADHN Cc1cc(CN[C@@H]2CC[C@H]2O)c(C)o1 306351029 630098294 /nfs/dbraw/zinc/09/82/94/630098294.db2.gz WTQPXWWHHYGJTD-GHMZBOCLSA-N 0 3 195.262 1.509 20 0 ADADHN c1cc(CN[C@H]2CCC[C@H]3C[C@H]32)no1 306363524 630098961 /nfs/dbraw/zinc/09/89/61/630098961.db2.gz YIQMGORPTCGPEE-GDPRMGEGSA-N 0 3 192.262 1.953 20 0 ADADHN CO[C@H](C)CN1CCC(F)(F)CC1 306341080 630100270 /nfs/dbraw/zinc/10/02/70/630100270.db2.gz LJRIORUSMVHWLC-MRVPVSSYSA-N 0 3 193.237 1.752 20 0 ADADHN FCCN1CCC2(CCOCC2)C1 306344232 630100405 /nfs/dbraw/zinc/10/04/05/630100405.db2.gz OEHVIQMMFXZYME-UHFFFAOYSA-N 0 3 187.258 1.458 20 0 ADADHN NCC(=O)NCC1CCCCCCC1 306361257 630100631 /nfs/dbraw/zinc/10/06/31/630100631.db2.gz OUORPRRDOMVMIX-UHFFFAOYSA-N 0 3 198.310 1.422 20 0 ADADHN CN(C/C=C/Cl)[C@@H]1CCC[C@H]1O 306347475 630100823 /nfs/dbraw/zinc/10/08/23/630100823.db2.gz SFCIHKOZFBPXKH-PVNVNXCXSA-N 0 3 189.686 1.584 20 0 ADADHN CC1(C)CC[C@H]1NCc1ccno1 306371328 630102479 /nfs/dbraw/zinc/10/24/79/630102479.db2.gz DSCCKNIHZFTESW-SECBINFHSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@H](N[C@H]1CC[C@@H]1C)c1nncn1C 306383950 630103770 /nfs/dbraw/zinc/10/37/70/630103770.db2.gz VVQLSHQCBHOJLO-CIUDSAMLSA-N 0 3 194.282 1.264 20 0 ADADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccccn1 306420231 630107163 /nfs/dbraw/zinc/10/71/63/630107163.db2.gz YZINUPCEWMNSOF-FBIMIBRVSA-N 0 3 192.262 1.256 20 0 ADADHN FCCN1CCC[C@@H]1[C@@H]1CCCO1 306419424 630107282 /nfs/dbraw/zinc/10/72/82/630107282.db2.gz XIYFCSRBCKEBGL-ZJUUUORDSA-N 0 3 187.258 1.599 20 0 ADADHN CC1(C)[C@H]2CN(CCF)C[C@H]21 306417095 630107307 /nfs/dbraw/zinc/10/73/07/630107307.db2.gz SLWVAWWKMVJFEG-OCAPTIKFSA-N 0 3 157.232 1.544 20 0 ADADHN FCCN1CCC[C@H]1[C@H]1CCCO1 306419423 630107528 /nfs/dbraw/zinc/10/75/28/630107528.db2.gz XIYFCSRBCKEBGL-VHSXEESVSA-N 0 3 187.258 1.599 20 0 ADADHN FCCN1CCC[C@@H]1[C@H]1CCCO1 306419421 630107975 /nfs/dbraw/zinc/10/79/75/630107975.db2.gz XIYFCSRBCKEBGL-NXEZZACHSA-N 0 3 187.258 1.599 20 0 ADADHN C1=CO[C@@H](CN2CCSCC2)CC1 306434699 630108454 /nfs/dbraw/zinc/10/84/54/630108454.db2.gz KNIGTSFXRWJWNV-SNVBAGLBSA-N 0 3 199.319 1.728 20 0 ADADHN CCCCN(CC)CC1OCCO1 306412387 630108521 /nfs/dbraw/zinc/10/85/21/630108521.db2.gz QMRLEOPUPSEJDE-UHFFFAOYSA-N 0 3 187.283 1.481 20 0 ADADHN FCCN1CCC[C@H]1[C@@H]1CCCO1 306419422 630108607 /nfs/dbraw/zinc/10/86/07/630108607.db2.gz XIYFCSRBCKEBGL-UWVGGRQHSA-N 0 3 187.258 1.599 20 0 ADADHN C[C@H](O)CN1CC[C@@H](C(F)(F)F)C1 306443680 630110550 /nfs/dbraw/zinc/11/05/50/630110550.db2.gz ALWHZQPUUUCGQG-NKWVEPMBSA-N 0 3 197.200 1.251 20 0 ADADHN C[C@H](O)CN1CC[C@H](C(F)(F)F)C1 306443678 630111304 /nfs/dbraw/zinc/11/13/04/630111304.db2.gz ALWHZQPUUUCGQG-BQBZGAKWSA-N 0 3 197.200 1.251 20 0 ADADHN Cn1cnc(CNC2CC=CC2)c1 306440809 630111751 /nfs/dbraw/zinc/11/17/51/630111751.db2.gz QWZCSIVCMKATTL-UHFFFAOYSA-N 0 3 177.251 1.228 20 0 ADADHN CN(CCF)CC(C)(C)C 306485213 630113952 /nfs/dbraw/zinc/11/39/52/630113952.db2.gz UITOWBXBPGYETE-UHFFFAOYSA-N 0 3 147.237 1.934 20 0 ADADHN CC1CC(NCc2cn(C)cn2)C1 306488613 630115243 /nfs/dbraw/zinc/11/52/43/630115243.db2.gz KJKMZJMOCFQVMY-UHFFFAOYSA-N 0 3 179.267 1.308 20 0 ADADHN C[C@H]1CCCN(CC2OCCO2)C1 306527208 630118079 /nfs/dbraw/zinc/11/80/79/630118079.db2.gz WRHYFZVRKYOKEX-VIFPVBQESA-N 0 3 185.267 1.091 20 0 ADADHN CN(CC1OCCO1)CC(C)(C)C 306561507 630123648 /nfs/dbraw/zinc/12/36/48/630123648.db2.gz SNXFASSEFDRSJA-UHFFFAOYSA-N 0 3 187.283 1.337 20 0 ADADHN Nc1ncccc1CN1C[C@H]2C[C@H]2C1 306604569 630126573 /nfs/dbraw/zinc/12/65/73/630126573.db2.gz ZIEHXSPBLMGEIS-AOOOYVTPSA-N 0 3 189.262 1.116 20 0 ADADHN C[C@@H]1CCN(CCF)[C@H]([C@@H](C)O)C1 306634138 630126992 /nfs/dbraw/zinc/12/69/92/630126992.db2.gz UUTMQNZWQLPOKR-BBBLOLIVSA-N 0 3 189.274 1.437 20 0 ADADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1cncs1 306666895 630129689 /nfs/dbraw/zinc/12/96/89/630129689.db2.gz GIFAVQMPGRYDHX-BWZBUEFSSA-N 0 3 198.291 1.317 20 0 ADADHN C[C@@H]1C[C@H](O)CN(C/C=C/Cl)C1 306678799 630130573 /nfs/dbraw/zinc/13/05/73/630130573.db2.gz HGEVVRYEEUWSAL-ALCGYSGWSA-N 0 3 189.686 1.442 20 0 ADADHN C[C@H](N[C@@H]1CC[C@H]1O)c1cncs1 306666897 630131083 /nfs/dbraw/zinc/13/10/83/630131083.db2.gz GIFAVQMPGRYDHX-XLPZGREQSA-N 0 3 198.291 1.317 20 0 ADADHN Cn1cnc(CNC2CC(C)(C)C2)c1 306948989 630136909 /nfs/dbraw/zinc/13/69/09/630136909.db2.gz AODSEUCZWWTKSG-UHFFFAOYSA-N 0 3 193.294 1.698 20 0 ADADHN CN1CCC[C@@H]1Cn1ccsc1=O 307028618 630140398 /nfs/dbraw/zinc/14/03/98/630140398.db2.gz IOHAUNBGMWRAGX-MRVPVSSYSA-N 0 3 198.291 1.004 20 0 ADADHN CCN1CCCC[C@@H]1C1OCCO1 307008790 630140742 /nfs/dbraw/zinc/14/07/42/630140742.db2.gz HPVACAJIRGJZSZ-SECBINFHSA-N 0 3 185.267 1.234 20 0 ADADHN CN1CCC[C@H]1Cn1ccsc1=O 307028619 630141003 /nfs/dbraw/zinc/14/10/03/630141003.db2.gz IOHAUNBGMWRAGX-QMMMGPOBSA-N 0 3 198.291 1.004 20 0 ADADHN CCN1CCCC[C@H]1C1OCCO1 307008792 630141109 /nfs/dbraw/zinc/14/11/09/630141109.db2.gz HPVACAJIRGJZSZ-VIFPVBQESA-N 0 3 185.267 1.234 20 0 ADADHN CCCN(CC)CC1OCCO1 306974731 630141165 /nfs/dbraw/zinc/14/11/65/630141165.db2.gz XHOHEPIRXTUGJY-UHFFFAOYSA-N 0 3 173.256 1.091 20 0 ADADHN CC[C@H](C)N(C)CC1OCCO1 307103586 630144257 /nfs/dbraw/zinc/14/42/57/630144257.db2.gz ANVUCPHDWNVRNV-QMMMGPOBSA-N 0 3 173.256 1.090 20 0 ADADHN C[C@@H]1C[C@@H](O)CN1C/C=C/Cl 307052446 630144824 /nfs/dbraw/zinc/14/48/24/630144824.db2.gz JWZPCHYGUZJTRN-YEMZYZDBSA-N 0 3 175.659 1.194 20 0 ADADHN Fc1ccc(CN[C@H]2CCOC2)cn1 307080038 630145223 /nfs/dbraw/zinc/14/52/23/630145223.db2.gz RRSZEBZFIBNJFW-VIFPVBQESA-N 0 3 196.225 1.099 20 0 ADADHN Fc1ccc(CN[C@@H]2CCOC2)cn1 307080037 630145947 /nfs/dbraw/zinc/14/59/47/630145947.db2.gz RRSZEBZFIBNJFW-SECBINFHSA-N 0 3 196.225 1.099 20 0 ADADHN C[C@@H]1C[C@H](O)CN1C/C=C/Cl 307052444 630146658 /nfs/dbraw/zinc/14/66/58/630146658.db2.gz JWZPCHYGUZJTRN-TZIBCRCASA-N 0 3 175.659 1.194 20 0 ADADHN FCCN1CCN(C2CCC2)CC1 307053761 630146747 /nfs/dbraw/zinc/14/67/47/630146747.db2.gz KVBOMABHVYRPIV-UHFFFAOYSA-N 0 3 186.274 1.126 20 0 ADADHN CC[C@@H](C)N(C)CC1OCCO1 307103584 630146873 /nfs/dbraw/zinc/14/68/73/630146873.db2.gz ANVUCPHDWNVRNV-MRVPVSSYSA-N 0 3 173.256 1.090 20 0 ADADHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H]2O)o1 307251241 630155826 /nfs/dbraw/zinc/15/58/26/630155826.db2.gz NNWZVPSTJNPNBW-OPRDCNLKSA-N 0 3 195.262 1.762 20 0 ADADHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H]2O)o1 307251240 630156878 /nfs/dbraw/zinc/15/68/78/630156878.db2.gz NNWZVPSTJNPNBW-IVZWLZJFSA-N 0 3 195.262 1.762 20 0 ADADHN FCCN1CCCC2(CC2)C1 307285514 630161286 /nfs/dbraw/zinc/16/12/86/630161286.db2.gz MNSJVKADNQQWFW-UHFFFAOYSA-N 0 3 157.232 1.832 20 0 ADADHN Cc1nnc([C@@H](C)NC(C)C)[nH]1 307310966 630161524 /nfs/dbraw/zinc/16/15/24/630161524.db2.gz IRIIEUNAUNHWBT-ZCFIWIBFSA-N 0 3 168.244 1.172 20 0 ADADHN CC(C)C1CN(Cc2cnc[nH]2)C1 307457842 630169042 /nfs/dbraw/zinc/16/90/42/630169042.db2.gz ZTPJJYRVECTZLU-UHFFFAOYSA-N 0 3 179.267 1.498 20 0 ADADHN O[C@@H]1CCCN(C/C=C/Cl)CC1 307689737 630184983 /nfs/dbraw/zinc/18/49/83/630184983.db2.gz GWRUQQHHDHFSFN-OSOUNJMWSA-N 0 3 189.686 1.586 20 0 ADADHN CCCCCN1CCC2(C1)OCCO2 307692048 630185384 /nfs/dbraw/zinc/18/53/84/630185384.db2.gz QTNVFDSGZJWNKG-UHFFFAOYSA-N 0 3 199.294 1.625 20 0 ADADHN O[C@H]1CCCN(C/C=C/Cl)CC1 307689736 630185683 /nfs/dbraw/zinc/18/56/83/630185683.db2.gz GWRUQQHHDHFSFN-MAHOQKISSA-N 0 3 189.686 1.586 20 0 ADADHN C[C@@H](NC1CC=CC1)c1ncc[nH]1 307760334 630190394 /nfs/dbraw/zinc/19/03/94/630190394.db2.gz VMTFUSRTDSGXPJ-MRVPVSSYSA-N 0 3 177.251 1.779 20 0 ADADHN C[C@@H]1CCSCCN1CCF 307747325 630190445 /nfs/dbraw/zinc/19/04/45/630190445.db2.gz YHMCRGRGUADHTP-MRVPVSSYSA-N 0 3 177.288 1.783 20 0 ADADHN CN(CCC1CC1)CC1OCCO1 307756148 630190957 /nfs/dbraw/zinc/19/09/57/630190957.db2.gz GXLFWZXKIKLJOX-UHFFFAOYSA-N 0 3 185.267 1.091 20 0 ADADHN C[C@H](NC1CC=CC1)c1ncc[nH]1 307760337 630191448 /nfs/dbraw/zinc/19/14/48/630191448.db2.gz VMTFUSRTDSGXPJ-QMMMGPOBSA-N 0 3 177.251 1.779 20 0 ADADHN C[C@H]1CCSCCN1CCF 307747326 630191611 /nfs/dbraw/zinc/19/16/11/630191611.db2.gz YHMCRGRGUADHTP-QMMMGPOBSA-N 0 3 177.288 1.783 20 0 ADADHN O=c1sccn1CCN1CCCC1 123950720 630193615 /nfs/dbraw/zinc/19/36/15/630193615.db2.gz HRIKAAFOGDVNSV-UHFFFAOYSA-N 0 3 198.291 1.006 20 0 ADADHN CN(C/C=C/Cl)C(C)(C)CO 125150733 630195912 /nfs/dbraw/zinc/19/59/12/630195912.db2.gz CRLWELSLMVZURJ-SNAWJCMRSA-N 0 3 177.675 1.442 20 0 ADADHN C[C@H]1CN(C/C=C\Cl)CCN1C 308066658 630202313 /nfs/dbraw/zinc/20/23/13/630202313.db2.gz YYDDSHDDNPUDMS-TYRPZCRBSA-N 0 3 188.702 1.375 20 0 ADADHN CC(C)CN1[C@@H](C)[C@H](C)NC(=O)[C@H]1C 895118746 630202673 /nfs/dbraw/zinc/20/26/73/630202673.db2.gz OIYRYGCWGDTSLW-LPEHRKFASA-N 0 3 198.310 1.240 20 0 ADADHN CC(C)CN1[C@@H](C)[C@@H](C)NC(=O)[C@H]1C 895118745 630203728 /nfs/dbraw/zinc/20/37/28/630203728.db2.gz OIYRYGCWGDTSLW-KXUCPTDWSA-N 0 3 198.310 1.240 20 0 ADADHN CC(C)CN1[C@H](C)C(=O)N[C@H](C)[C@H]1C 895118747 630205580 /nfs/dbraw/zinc/20/55/80/630205580.db2.gz OIYRYGCWGDTSLW-OPRDCNLKSA-N 0 3 198.310 1.240 20 0 ADADHN Cc1cc(CN[C@@H]2CCOC2)c(C)o1 165777529 630205932 /nfs/dbraw/zinc/20/59/32/630205932.db2.gz HKFIQYDBPXRTOE-LLVKDONJSA-N 0 3 195.262 1.775 20 0 ADADHN CC(C)CN1[C@H](C)C(=O)N[C@@H](C)[C@H]1C 895118744 630206629 /nfs/dbraw/zinc/20/66/29/630206629.db2.gz OIYRYGCWGDTSLW-IVZWLZJFSA-N 0 3 198.310 1.240 20 0 ADADHN Cn1cccc1CN1CCC(F)CC1 895548758 630218997 /nfs/dbraw/zinc/21/89/97/630218997.db2.gz DEJDQVXOSMUWSJ-UHFFFAOYSA-N 0 3 196.269 1.959 20 0 ADADHN CCN(C)C(=O)[C@H]1CCN1C(C)(C)C 895666180 630222499 /nfs/dbraw/zinc/22/24/99/630222499.db2.gz VRYGWWDMLMZQFS-SECBINFHSA-N 0 3 198.310 1.338 20 0 ADADHN CCN(C)C(=O)[C@@H]1CCN1C(C)(C)C 895666181 630224951 /nfs/dbraw/zinc/22/49/51/630224951.db2.gz VRYGWWDMLMZQFS-VIFPVBQESA-N 0 3 198.310 1.338 20 0 ADADHN COCC1CN(Cc2cccs2)C1 895970775 630226628 /nfs/dbraw/zinc/22/66/28/630226628.db2.gz GKZGXMGXUGVUCL-UHFFFAOYSA-N 0 3 197.303 1.826 20 0 ADADHN COCC1CN(Cc2ccn(C)c2)C1 895971927 630229027 /nfs/dbraw/zinc/22/90/27/630229027.db2.gz XQBNUGWVKBJUSZ-UHFFFAOYSA-N 0 3 194.278 1.103 20 0 ADADHN COCC1CN(Cc2ccccc2)C1 895972303 630232458 /nfs/dbraw/zinc/23/24/58/630232458.db2.gz WHDYCAZJNATUTE-UHFFFAOYSA-N 0 3 191.274 1.765 20 0 ADADHN CC[C@H](C)CN[C@H](C)c1ncnn1C 393685340 630288656 /nfs/dbraw/zinc/28/86/56/630288656.db2.gz OPTPJCRXCRJCLR-DTWKUNHWSA-N 0 3 196.298 1.512 20 0 ADADHN CC[C@@H](C)CN[C@@H](C)c1ncnn1C 393685339 630288958 /nfs/dbraw/zinc/28/89/58/630288958.db2.gz OPTPJCRXCRJCLR-BDAKNGLRSA-N 0 3 196.298 1.512 20 0 ADADHN CC[C@H](C)CN[C@@H](C)c1ncnn1C 393685341 630289252 /nfs/dbraw/zinc/28/92/52/630289252.db2.gz OPTPJCRXCRJCLR-IUCAKERBSA-N 0 3 196.298 1.512 20 0 ADADHN C[C@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1 83834139 524147429 /nfs/dbraw/zinc/14/74/29/524147429.db2.gz PPHLHXXXBXTNHB-DTWKUNHWSA-N 0 3 196.294 1.173 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1ncc[nH]1 70829077 524168023 /nfs/dbraw/zinc/16/80/23/524168023.db2.gz VGRLBJYGOCQWCI-IUCAKERBSA-N 0 3 179.267 1.688 20 0 ADADHN CCCCC[C@@H](C)NC(=O)[C@@H](C)N 36135763 630385477 /nfs/dbraw/zinc/38/54/77/630385477.db2.gz RWRQCWIFYLCTJL-RKDXNWHRSA-N 0 3 186.299 1.419 20 0 ADADHN CCCCCCNC(=O)[C@@H](C)N 36204175 630385494 /nfs/dbraw/zinc/38/54/94/630385494.db2.gz URDBIVCUPTUUGH-MRVPVSSYSA-N 0 3 172.272 1.030 20 0 ADADHN CC[C@@H]1CC[C@H]1NCc1cn(C)cn1 898043210 630396358 /nfs/dbraw/zinc/39/63/58/630396358.db2.gz IERAPHPWHGXDGQ-MWLCHTKSSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@@H]1CC[C@@H]1NCc1cn(C)cn1 898043209 630396675 /nfs/dbraw/zinc/39/66/75/630396675.db2.gz IERAPHPWHGXDGQ-KOLCDFICSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@H]1CC[C@H]1NCc1cn(C)cn1 898043208 630397928 /nfs/dbraw/zinc/39/79/28/630397928.db2.gz IERAPHPWHGXDGQ-GXSJLCMTSA-N 0 3 193.294 1.698 20 0 ADADHN CC[C@H]1CC[C@@H]1NCc1cn(C)cn1 898043211 630398061 /nfs/dbraw/zinc/39/80/61/630398061.db2.gz IERAPHPWHGXDGQ-ONGXEEELSA-N 0 3 193.294 1.698 20 0 ADADHN Cc1ncoc1CN[C@@H](C)C(C)(C)O 898120178 630398261 /nfs/dbraw/zinc/39/82/61/630398261.db2.gz RQHJJRJWIJVDPZ-QMMMGPOBSA-N 0 3 198.266 1.232 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cnccn1 70828662 524221708 /nfs/dbraw/zinc/22/17/08/524221708.db2.gz CMGYGXILJWOUQS-GXSJLCMTSA-N 0 3 191.278 1.755 20 0 ADADHN CC[C@](C)(CNCc1c[nH]cn1)OC 322655747 630455718 /nfs/dbraw/zinc/45/57/18/630455718.db2.gz BHVDAKFILFXYIC-SNVBAGLBSA-N 0 3 197.282 1.314 20 0 ADADHN CC[C@@](C)(CNCc1c[nH]cn1)OC 322655746 630456321 /nfs/dbraw/zinc/45/63/21/630456321.db2.gz BHVDAKFILFXYIC-JTQLQIEISA-N 0 3 197.282 1.314 20 0 ADADHN C[C@H](N[C@H]1C[C@H](CO)C1)c1ccoc1 927149478 630555230 /nfs/dbraw/zinc/55/52/30/630555230.db2.gz CNVSPSIOBQMZER-QXEWZRGKSA-N 0 3 195.262 1.701 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](CO)C1)c1ccoc1 927149477 630556576 /nfs/dbraw/zinc/55/65/76/630556576.db2.gz CNVSPSIOBQMZER-FXPVBKGRSA-N 0 3 195.262 1.701 20 0 ADADHN C[C@H]1CCN[C@H](C(=O)NC2CCC2)C1 167434675 524313437 /nfs/dbraw/zinc/31/34/37/524313437.db2.gz LOFAEBMQEYBWCJ-WPRPVWTQSA-N 0 3 196.294 1.043 20 0 ADADHN C[C@H]1CC[C@H](NCc2nccn2C)C1 70644163 524424486 /nfs/dbraw/zinc/42/44/86/524424486.db2.gz OPACOSCTTHFAPV-UWVGGRQHSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H](N)C(=O)NC[C@H](C)C(C)(C)C 162002879 630746050 /nfs/dbraw/zinc/74/60/50/630746050.db2.gz UPWFYDAVCPZKTB-YUMQZZPRSA-N 0 3 186.299 1.132 20 0 ADADHN CC[C@](C)(N)c1cc(C)no1 901395331 630747410 /nfs/dbraw/zinc/74/74/10/630747410.db2.gz XNAXFVOECGGANE-QMMMGPOBSA-N 0 3 154.213 1.567 20 0 ADADHN CN[C@H](C)c1cc(C2CC2)no1 901395728 630747485 /nfs/dbraw/zinc/74/74/85/630747485.db2.gz KAYFXAGWWIZKNG-ZCFIWIBFSA-N 0 3 166.224 1.832 20 0 ADADHN CN[C@@H](C)c1cc(C2CC2)no1 901395703 630747577 /nfs/dbraw/zinc/74/75/77/630747577.db2.gz KAYFXAGWWIZKNG-LURJTMIESA-N 0 3 166.224 1.832 20 0 ADADHN CC(C)=CCNCc1c[nH]cn1 232618773 630748736 /nfs/dbraw/zinc/74/87/36/630748736.db2.gz UMIMWIUDACNSDA-UHFFFAOYSA-N 0 3 165.240 1.466 20 0 ADADHN CC(C)=CCNCc1cnc[nH]1 232618773 630748737 /nfs/dbraw/zinc/74/87/37/630748737.db2.gz UMIMWIUDACNSDA-UHFFFAOYSA-N 0 3 165.240 1.466 20 0 ADADHN C[C@H](NC[C@@H]1C[C@H]1C)c1cnn(C)n1 924800042 630750272 /nfs/dbraw/zinc/75/02/72/630750272.db2.gz YINWGOJXKKDRHP-VGMNWLOBSA-N 0 3 194.282 1.122 20 0 ADADHN COC[C@@H](C)CN[C@@H](C)c1ncc[nH]1 163393100 630750328 /nfs/dbraw/zinc/75/03/28/630750328.db2.gz QNXCGBBIKKMUBN-IUCAKERBSA-N 0 3 197.282 1.343 20 0 ADADHN C[C@H](NC[C@H]1C[C@H]1C)c1cnn(C)n1 924800041 630750466 /nfs/dbraw/zinc/75/04/66/630750466.db2.gz YINWGOJXKKDRHP-HRDYMLBCSA-N 0 3 194.282 1.122 20 0 ADADHN C[C@H](NC[C@H]1C[C@@H]1C)c1cnn(C)n1 924800043 630750643 /nfs/dbraw/zinc/75/06/43/630750643.db2.gz YINWGOJXKKDRHP-XHNCKOQMSA-N 0 3 194.282 1.122 20 0 ADADHN COC[C@H](C)CN[C@@H](C)c1ncc[nH]1 163393176 630750670 /nfs/dbraw/zinc/75/06/70/630750670.db2.gz QNXCGBBIKKMUBN-BDAKNGLRSA-N 0 3 197.282 1.343 20 0 ADADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1cnn(C)n1 924800039 630750756 /nfs/dbraw/zinc/75/07/56/630750756.db2.gz YINWGOJXKKDRHP-CIUDSAMLSA-N 0 3 194.282 1.122 20 0 ADADHN C[C@H](N[C@H](C)[C@H](C)O)c1ccccn1 88169811 630751052 /nfs/dbraw/zinc/75/10/52/630751052.db2.gz APGVAUHDWKLXLT-UTLUCORTSA-N 0 3 194.278 1.502 20 0 ADADHN C[C@H](N[C@@H](C)[C@H](C)O)c1ccccn1 88169810 630751500 /nfs/dbraw/zinc/75/15/00/630751500.db2.gz APGVAUHDWKLXLT-GUBZILKMSA-N 0 3 194.278 1.502 20 0 ADADHN CCCCn1cc([C@H](C)N)nn1 167106224 630760236 /nfs/dbraw/zinc/76/02/36/630760236.db2.gz FHLBEAWPDAZTKA-ZETCQYMHSA-N 0 3 168.244 1.098 20 0 ADADHN CCCCn1cc([C@@H](C)N)nn1 167106139 630760660 /nfs/dbraw/zinc/76/06/60/630760660.db2.gz FHLBEAWPDAZTKA-SSDOTTSWSA-N 0 3 168.244 1.098 20 0 ADADHN CC[C@H](C)Cn1cc([C@H](C)N)nn1 167098622 630761997 /nfs/dbraw/zinc/76/19/97/630761997.db2.gz BLKFVMJHNMVERK-YUMQZZPRSA-N 0 3 182.271 1.344 20 0 ADADHN C[C@@H]1CCN1C(=O)C1(N(C)C)CCC1 914156158 630762660 /nfs/dbraw/zinc/76/26/60/630762660.db2.gz SFHVFJIHOLNJNZ-SECBINFHSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@H]1CCN1C(=O)C1(N(C)C)CCC1 914156159 630763431 /nfs/dbraw/zinc/76/34/31/630763431.db2.gz SFHVFJIHOLNJNZ-VIFPVBQESA-N 0 3 196.294 1.092 20 0 ADADHN CCCN(CC)C(=O)CN1CCCC1 915216702 630778293 /nfs/dbraw/zinc/77/82/93/630778293.db2.gz LBITURBHHVNESM-UHFFFAOYSA-N 0 3 198.310 1.341 20 0 ADADHN CCN(CC(=O)N1CCCC1)C(C)C 917088336 630789457 /nfs/dbraw/zinc/78/94/57/630789457.db2.gz GEGHHDXDHPEMNQ-UHFFFAOYSA-N 0 3 198.310 1.339 20 0 ADADHN CCN(CC(=O)NCC1CC1)C(C)C 917089818 630790004 /nfs/dbraw/zinc/79/00/04/630790004.db2.gz ZRDFVZZFZNHCPU-UHFFFAOYSA-N 0 3 198.310 1.243 20 0 ADADHN CCC[C@@H](CC)NCc1nncn1C 150114784 630792511 /nfs/dbraw/zinc/79/25/11/630792511.db2.gz UWTSIVITVODVEZ-SECBINFHSA-N 0 3 196.298 1.483 20 0 ADADHN CCC[C@H](CC)NCc1nncn1C 150115005 630795721 /nfs/dbraw/zinc/79/57/21/630795721.db2.gz UWTSIVITVODVEZ-VIFPVBQESA-N 0 3 196.298 1.483 20 0 ADADHN CN1CCC[C@@H]1CSc1ncco1 917577873 630796313 /nfs/dbraw/zinc/79/63/13/630796313.db2.gz PAXWRMOZDAWOKM-MRVPVSSYSA-N 0 3 198.291 1.861 20 0 ADADHN CN1CCC[C@H]1CSc1ncco1 917577874 630796907 /nfs/dbraw/zinc/79/69/07/630796907.db2.gz PAXWRMOZDAWOKM-QMMMGPOBSA-N 0 3 198.291 1.861 20 0 ADADHN CCN(CC(=O)N(C)C1CC1)C(C)C 920206907 630815995 /nfs/dbraw/zinc/81/59/95/630815995.db2.gz SGDAOCSXCMFMOK-UHFFFAOYSA-N 0 3 198.310 1.338 20 0 ADADHN CN1CCCN(c2nccs2)CC1 920957472 630820509 /nfs/dbraw/zinc/82/05/09/630820509.db2.gz GDQUGSACFREJCL-UHFFFAOYSA-N 0 3 197.307 1.285 20 0 ADADHN CCCN[C@@H](C)c1cn(C)cn1 233110839 630824865 /nfs/dbraw/zinc/82/48/65/630824865.db2.gz PRNPLTZOKKIWPI-QMMMGPOBSA-N 0 3 167.256 1.481 20 0 ADADHN CCCN[C@H](C)c1cn(C)cn1 233158827 630825477 /nfs/dbraw/zinc/82/54/77/630825477.db2.gz PRNPLTZOKKIWPI-MRVPVSSYSA-N 0 3 167.256 1.481 20 0 ADADHN CCC[C@@H](C)n1cc([C@H](C)N)nn1 233286494 630825892 /nfs/dbraw/zinc/82/58/92/630825892.db2.gz WZNIQGNWICISEZ-SFYZADRCSA-N 0 3 182.271 1.659 20 0 ADADHN CCC[C@@H](C)n1cc([C@@H](C)N)nn1 233286460 630826573 /nfs/dbraw/zinc/82/65/73/630826573.db2.gz WZNIQGNWICISEZ-HTQZYQBOSA-N 0 3 182.271 1.659 20 0 ADADHN CCC[C@H](C)n1cc([C@H](C)N)nn1 233343497 630829024 /nfs/dbraw/zinc/82/90/24/630829024.db2.gz WZNIQGNWICISEZ-YUMQZZPRSA-N 0 3 182.271 1.659 20 0 ADADHN CCC[C@H](C)n1cc([C@@H](C)N)nn1 233343452 630829231 /nfs/dbraw/zinc/82/92/31/630829231.db2.gz WZNIQGNWICISEZ-JGVFFNPUSA-N 0 3 182.271 1.659 20 0 ADADHN CCCCNC(=O)[C@@H](N)CC1CC1 238232716 630831961 /nfs/dbraw/zinc/83/19/61/630831961.db2.gz XEFNDGZEBPEYRI-VIFPVBQESA-N 0 3 184.283 1.030 20 0 ADADHN OCCN[C@H](c1ccccn1)C1CC1 238706152 630833832 /nfs/dbraw/zinc/83/38/32/630833832.db2.gz DXSIOQJFKDZWRC-NSHDSACASA-N 0 3 192.262 1.115 20 0 ADADHN OCCN[C@@H](c1ccccn1)C1CC1 238706753 630833932 /nfs/dbraw/zinc/83/39/32/630833932.db2.gz DXSIOQJFKDZWRC-LLVKDONJSA-N 0 3 192.262 1.115 20 0 ADADHN Cc1cnc(SCCN(C)C)nc1 197019433 630834963 /nfs/dbraw/zinc/83/49/63/630834963.db2.gz JNUQHHWAZJJTAP-UHFFFAOYSA-N 0 3 197.307 1.439 20 0 ADADHN CCN(CC)CC(=O)NCC(C)C 197115875 630834989 /nfs/dbraw/zinc/83/49/89/630834989.db2.gz IVLCKKRBWSMAIQ-UHFFFAOYSA-N 0 3 186.299 1.100 20 0 ADADHN CCCCNC(=O)[C@H](N)CC1CC1 83340941 630835384 /nfs/dbraw/zinc/83/53/84/630835384.db2.gz XEFNDGZEBPEYRI-SECBINFHSA-N 0 3 184.283 1.030 20 0 ADADHN [O-]c1ccc(C[NH2+]CCCO)cc1F 83343150 630836703 /nfs/dbraw/zinc/83/67/03/630836703.db2.gz VDZXAVFUQZODDS-UHFFFAOYSA-N 0 3 199.225 1.003 20 0 ADADHN CC(C)[C@H](C)N(C)CN1CCCC1=O 733292603 630839480 /nfs/dbraw/zinc/83/94/80/630839480.db2.gz UKARBGDCPALZBK-JTQLQIEISA-N 0 3 198.310 1.543 20 0 ADADHN CN(CN1CCCC1=O)C1CCCC1 733292257 630839760 /nfs/dbraw/zinc/83/97/60/630839760.db2.gz VIIGPDKEEBYSNE-UHFFFAOYSA-N 0 3 196.294 1.441 20 0 ADADHN CC(C)[C@@H](C)N(C)CN1CCCC1=O 733292605 630840647 /nfs/dbraw/zinc/84/06/47/630840647.db2.gz UKARBGDCPALZBK-SNVBAGLBSA-N 0 3 198.310 1.543 20 0 ADADHN C[C@H]1CCN(CN2C[C@@H](C)CC2=O)C1 733298745 630841575 /nfs/dbraw/zinc/84/15/75/630841575.db2.gz XCZZVOHCKRFGIG-UWVGGRQHSA-N 0 3 196.294 1.154 20 0 ADADHN CCC(=O)N1C[C@@H]2C[C@H]1CN2C(C)C 1032236355 630841717 /nfs/dbraw/zinc/84/17/17/630841717.db2.gz SDVUJEJHMBPAAC-UWVGGRQHSA-N 0 3 196.294 1.090 20 0 ADADHN C[C@@H]1CCN(CN2C[C@H](C)CC2=O)C1 733298743 630842921 /nfs/dbraw/zinc/84/29/21/630842921.db2.gz XCZZVOHCKRFGIG-NXEZZACHSA-N 0 3 196.294 1.154 20 0 ADADHN C[C@H]1CC(=O)N(CN2CC[C@@H](C)C2)C1 733298749 630842942 /nfs/dbraw/zinc/84/29/42/630842942.db2.gz XCZZVOHCKRFGIG-ZJUUUORDSA-N 0 3 196.294 1.154 20 0 ADADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC 1032236018 630843070 /nfs/dbraw/zinc/84/30/70/630843070.db2.gz LWHQUAHCZIJTHI-UWVGGRQHSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@H]1CCN(CN2C[C@H](C)CC2=O)C1 733298747 630843906 /nfs/dbraw/zinc/84/39/06/630843906.db2.gz XCZZVOHCKRFGIG-VHSXEESVSA-N 0 3 196.294 1.154 20 0 ADADHN CO[C@H](C)CNc1ccnc(CO)c1 224526569 630845349 /nfs/dbraw/zinc/84/53/49/630845349.db2.gz CRZCWRMEILBLFK-MRVPVSSYSA-N 0 3 196.250 1.021 20 0 ADADHN OCc1cc(N2CC=CCC2)ccn1 166222162 630845488 /nfs/dbraw/zinc/84/54/88/630845488.db2.gz FTWZMQAQDOPXOV-UHFFFAOYSA-N 0 3 190.246 1.340 20 0 ADADHN CCCCN1C[C@@H]2C[C@H]1CN2C(C)=O 1032240234 630845566 /nfs/dbraw/zinc/84/55/66/630845566.db2.gz JUTMKDQDHCFTRT-QWRGUYRKSA-N 0 3 196.294 1.092 20 0 ADADHN CO[C@@H](C)CNc1ccnc(CO)c1 224526522 630845980 /nfs/dbraw/zinc/84/59/80/630845980.db2.gz CRZCWRMEILBLFK-QMMMGPOBSA-N 0 3 196.250 1.021 20 0 ADADHN COCC[NH2+]Cc1ccc([O-])c(F)c1 83343138 630846989 /nfs/dbraw/zinc/84/69/89/630846989.db2.gz UMSFZNSHCQFTPH-UHFFFAOYSA-N 0 3 199.225 1.267 20 0 ADADHN CCCCCNC(=O)[C@H](N)CC1CC1 83342989 630847329 /nfs/dbraw/zinc/84/73/29/630847329.db2.gz GVPMYZXJSKWMRH-SNVBAGLBSA-N 0 3 198.310 1.420 20 0 ADADHN CC(C)CCNC(=O)[C@H](N)CC1CC1 83342990 630847386 /nfs/dbraw/zinc/84/73/86/630847386.db2.gz PJMZFAHXKOHHFR-SNVBAGLBSA-N 0 3 198.310 1.276 20 0 ADADHN CCCCCn1cc([C@@H](C)N)nn1 167130382 630848430 /nfs/dbraw/zinc/84/84/30/630848430.db2.gz HNKDTHOXNHYDEC-MRVPVSSYSA-N 0 3 182.271 1.488 20 0 ADADHN CCCCCn1cc([C@H](C)N)nn1 167130453 630848536 /nfs/dbraw/zinc/84/85/36/630848536.db2.gz HNKDTHOXNHYDEC-QMMMGPOBSA-N 0 3 182.271 1.488 20 0 ADADHN C[C@]1(O)CCN(C/C=C/Cl)C1 226271102 630851036 /nfs/dbraw/zinc/85/10/36/630851036.db2.gz RQUIHHUQZPDAQT-KHVHVRLGSA-N 0 3 175.659 1.196 20 0 ADADHN CN(C/C=C/Cl)CCCCCO 227114693 630852950 /nfs/dbraw/zinc/85/29/50/630852950.db2.gz QSBFQKVUHGOXDJ-AATRIKPKSA-N 0 3 191.702 1.833 20 0 ADADHN C[C@@H](NCC1(C)COC1)c1ncc[nH]1 227534376 630857220 /nfs/dbraw/zinc/85/72/20/630857220.db2.gz BKHSMGWAWYTJMA-MRVPVSSYSA-N 0 3 195.266 1.097 20 0 ADADHN C[C@H](NCC1(C)COC1)c1ncc[nH]1 227534383 630857332 /nfs/dbraw/zinc/85/73/32/630857332.db2.gz BKHSMGWAWYTJMA-QMMMGPOBSA-N 0 3 195.266 1.097 20 0 ADADHN CC1CC(CN(C)CC(=O)N(C)C)C1 929225733 630859040 /nfs/dbraw/zinc/85/90/40/630859040.db2.gz WSKNHZNQIQALPZ-UHFFFAOYSA-N 0 3 198.310 1.053 20 0 ADADHN C/C=C\C(=O)NCCN1CCCCC1 228158471 630861425 /nfs/dbraw/zinc/86/14/25/630861425.db2.gz MEZYUVBGTPKZGW-KXFIGUGUSA-N 0 3 196.294 1.165 20 0 ADADHN C1=C[C@H]2CC[C@@H](C1)N2Cc1cnc[nH]1 585379284 630863997 /nfs/dbraw/zinc/86/39/97/630863997.db2.gz IITGSLUGOYAIHW-WDEREUQCSA-N 0 3 189.262 1.703 20 0 ADADHN CCOC(=O)/C=C/CN1CC[C@H](C)C1 87638718 630866602 /nfs/dbraw/zinc/86/66/02/630866602.db2.gz UQCMKLHPWPGCLP-YEZKRMTDSA-N 0 3 197.278 1.448 20 0 ADADHN CCOC(=O)/C=C/CN1CCC[C@@H]1C 87638713 630868072 /nfs/dbraw/zinc/86/80/72/630868072.db2.gz RMZFMUCABFJCHK-STUBTGCMSA-N 0 3 197.278 1.590 20 0 ADADHN CCOC(=O)/C=C/CN1CC[C@@H](C)C1 87638719 630868081 /nfs/dbraw/zinc/86/80/81/630868081.db2.gz UQCMKLHPWPGCLP-ORAHPGNNSA-N 0 3 197.278 1.448 20 0 ADADHN CCOCCNCc1ccc(C)nc1 62053095 630875202 /nfs/dbraw/zinc/87/52/02/630875202.db2.gz KQYMPWMUKSCLNN-UHFFFAOYSA-N 0 3 194.278 1.516 20 0 ADADHN CCC[C@@H](O)CCNCc1ccco1 922826337 630876316 /nfs/dbraw/zinc/87/63/16/630876316.db2.gz YMZQZFWZNSQJQM-SNVBAGLBSA-N 0 3 197.278 1.920 20 0 ADADHN Cc1occc1CN[C@H](C)[C@@H](C)O 321298871 630876825 /nfs/dbraw/zinc/87/68/25/630876825.db2.gz VGNXAMKNBSZKFE-HTQZYQBOSA-N 0 3 183.251 1.447 20 0 ADADHN CCC[C@@H](O)CCNCc1c[nH]cn1 922819369 630877610 /nfs/dbraw/zinc/87/76/10/630877610.db2.gz BDICTKLBHQYHRQ-SNVBAGLBSA-N 0 3 197.282 1.050 20 0 ADADHN Cc1occc1CN[C@@H](C)[C@H](C)O 321298879 630877778 /nfs/dbraw/zinc/87/77/78/630877778.db2.gz VGNXAMKNBSZKFE-YUMQZZPRSA-N 0 3 183.251 1.447 20 0 ADADHN CCC[C@H](O)CCNCc1c[nH]cn1 922819367 630877800 /nfs/dbraw/zinc/87/78/00/630877800.db2.gz BDICTKLBHQYHRQ-JTQLQIEISA-N 0 3 197.282 1.050 20 0 ADADHN CCC[C@H](O)CCNCc1ccco1 922826335 630878044 /nfs/dbraw/zinc/87/80/44/630878044.db2.gz YMZQZFWZNSQJQM-JTQLQIEISA-N 0 3 197.278 1.920 20 0 ADADHN C=Cn1cc(CN[C@H]2C=CCC2)cn1 700544584 630880668 /nfs/dbraw/zinc/88/06/68/630880668.db2.gz UPRNJZQKAZIWIV-NSHDSACASA-N 0 3 189.262 1.792 20 0 ADADHN C[C@H](N[C@@H]1C=CCC1)c1ccnn1C 700543978 630881092 /nfs/dbraw/zinc/88/10/92/630881092.db2.gz QACSZVXWPWQUJF-VHSXEESVSA-N 0 3 191.278 1.789 20 0 ADADHN C[C@H](N[C@H]1C=CCC1)c1ccnn1C 700543977 630881628 /nfs/dbraw/zinc/88/16/28/630881628.db2.gz QACSZVXWPWQUJF-UWVGGRQHSA-N 0 3 191.278 1.789 20 0 ADADHN C=Cn1cc(CN[C@@H]2C=CCC2)cn1 700544582 630881912 /nfs/dbraw/zinc/88/19/12/630881912.db2.gz UPRNJZQKAZIWIV-LLVKDONJSA-N 0 3 189.262 1.792 20 0 ADADHN C[C@@H](N[C@H]1C=CCC1)c1ccnn1C 700543979 630882907 /nfs/dbraw/zinc/88/29/07/630882907.db2.gz QACSZVXWPWQUJF-ZJUUUORDSA-N 0 3 191.278 1.789 20 0 ADADHN Cn1cnc(CNCCC(C)(C)F)c1 700622291 630883756 /nfs/dbraw/zinc/88/37/56/630883756.db2.gz PUKAIJNTFZQDLO-UHFFFAOYSA-N 0 3 199.273 1.648 20 0 ADADHN C[C@@H](O)CCCN1CCC[C@H](F)C1 701774425 630885222 /nfs/dbraw/zinc/88/52/22/630885222.db2.gz ZGZANBWPFXCBSI-ZJUUUORDSA-N 0 3 189.274 1.581 20 0 ADADHN Cn1cnc(CN[C@@]2(C)CC2(C)C)c1 701963326 630885361 /nfs/dbraw/zinc/88/53/61/630885361.db2.gz LLBLKRVNZOYWTP-NSHDSACASA-N 0 3 193.294 1.698 20 0 ADADHN C[C@@H](CO)CN1CCC[C@@H](F)C1 701766008 630885445 /nfs/dbraw/zinc/88/54/45/630885445.db2.gz FQMODURRBKKRIY-RKDXNWHRSA-N 0 3 175.247 1.049 20 0 ADADHN Cn1cnc(CN[C@]2(C)CC2(C)C)c1 701963325 630886113 /nfs/dbraw/zinc/88/61/13/630886113.db2.gz LLBLKRVNZOYWTP-LLVKDONJSA-N 0 3 193.294 1.698 20 0 ADADHN C[C@H](CO)CN1CCC[C@@H](F)C1 701766006 630886207 /nfs/dbraw/zinc/88/62/07/630886207.db2.gz FQMODURRBKKRIY-DTWKUNHWSA-N 0 3 175.247 1.049 20 0 ADADHN CC1(C)C[C@@]1(C)NCc1cnccn1 701962243 630886739 /nfs/dbraw/zinc/88/67/39/630886739.db2.gz AYNDROXNBVAPMU-LLVKDONJSA-N 0 3 191.278 1.755 20 0 ADADHN C[C@H](O)CCCN1CCC[C@@H](F)C1 701774423 630886781 /nfs/dbraw/zinc/88/67/81/630886781.db2.gz ZGZANBWPFXCBSI-VHSXEESVSA-N 0 3 189.274 1.581 20 0 ADADHN CC1(C)C[C@]1(C)NCc1cnccn1 701962244 630886896 /nfs/dbraw/zinc/88/68/96/630886896.db2.gz AYNDROXNBVAPMU-NSHDSACASA-N 0 3 191.278 1.755 20 0 ADADHN CC[C@@H](CO)NCc1cncc(F)c1 230937970 630887186 /nfs/dbraw/zinc/88/71/86/630887186.db2.gz ZHJMIZAYMZTMLF-JTQLQIEISA-N 0 3 198.241 1.081 20 0 ADADHN C[C@@H](O)CCCN1CCC[C@@H](F)C1 701774418 630887241 /nfs/dbraw/zinc/88/72/41/630887241.db2.gz ZGZANBWPFXCBSI-NXEZZACHSA-N 0 3 189.274 1.581 20 0 ADADHN C[C@H](CO)CN1CCC[C@H](F)C1 701766007 630887290 /nfs/dbraw/zinc/88/72/90/630887290.db2.gz FQMODURRBKKRIY-IUCAKERBSA-N 0 3 175.247 1.049 20 0 ADADHN CC[C@H](CO)NCc1cncc(F)c1 230937974 630887349 /nfs/dbraw/zinc/88/73/49/630887349.db2.gz ZHJMIZAYMZTMLF-SNVBAGLBSA-N 0 3 198.241 1.081 20 0 ADADHN C[C@H](O)CCCN1CCC[C@H](F)C1 701774420 630887355 /nfs/dbraw/zinc/88/73/55/630887355.db2.gz ZGZANBWPFXCBSI-UWVGGRQHSA-N 0 3 189.274 1.581 20 0 ADADHN CC1(C)CC[C@@H](CO)N(CCF)C1 701618442 630887518 /nfs/dbraw/zinc/88/75/18/630887518.db2.gz XUFWNAZLDFLNFU-VIFPVBQESA-N 0 3 189.274 1.439 20 0 ADADHN FC(F)(F)CCNCc1cnc[nH]1 63099674 630888654 /nfs/dbraw/zinc/88/86/54/630888654.db2.gz KRGNPQUMWSSJTE-UHFFFAOYSA-N 0 3 193.172 1.452 20 0 ADADHN Cn1cccc1CNC1CSC1 702023334 630888998 /nfs/dbraw/zinc/88/89/98/630888998.db2.gz ODERMXBJZVMTIA-UHFFFAOYSA-N 0 3 182.292 1.230 20 0 ADADHN Cc1occc1CN[C@H]1C[C@H](CO)C1 923005209 630890720 /nfs/dbraw/zinc/89/07/20/630890720.db2.gz OIGWSIOGEZAPDZ-HOMQSWHASA-N 0 3 195.262 1.449 20 0 ADADHN OC[C@H]1C[C@H](NCc2cncs2)C1 923004304 630890824 /nfs/dbraw/zinc/89/08/24/630890824.db2.gz RYQOMKXEACQFHP-ZKCHVHJHSA-N 0 3 198.291 1.004 20 0 ADADHN Cc1ccoc1CN[C@H]1C[C@H](CO)C1 923003842 630891003 /nfs/dbraw/zinc/89/10/03/630891003.db2.gz MEUIQPPPMLUHFT-MGCOHNPYSA-N 0 3 195.262 1.449 20 0 ADADHN OC[C@H]1C[C@H](NCc2ccco2)C1 923008623 630891253 /nfs/dbraw/zinc/89/12/53/630891253.db2.gz RTQFXEOOUMDFNL-KYZUINATSA-N 0 3 181.235 1.140 20 0 ADADHN Cc1ccc(CN[C@H]2C[C@H](CO)C2)o1 923008235 630891662 /nfs/dbraw/zinc/89/16/62/630891662.db2.gz PGHVCJLDAWJCQK-MGCOHNPYSA-N 0 3 195.262 1.449 20 0 ADADHN C[C@@H](CO)CN1CCC[C@H](F)C1 701766005 630904178 /nfs/dbraw/zinc/90/41/78/630904178.db2.gz FQMODURRBKKRIY-BDAKNGLRSA-N 0 3 175.247 1.049 20 0 ADADHN C[C@@H](N[C@@H]1C=CCC1)c1ccnn1C 700543976 630904366 /nfs/dbraw/zinc/90/43/66/630904366.db2.gz QACSZVXWPWQUJF-NXEZZACHSA-N 0 3 191.278 1.789 20 0 ADADHN CC1(C)CC[C@H](CO)N(CCF)C1 701618441 630904992 /nfs/dbraw/zinc/90/49/92/630904992.db2.gz XUFWNAZLDFLNFU-SECBINFHSA-N 0 3 189.274 1.439 20 0 ADADHN CCCCCN(C)CC(=O)N(C)C 388345612 630905509 /nfs/dbraw/zinc/90/55/09/630905509.db2.gz LZMYRAFXOFZJDI-UHFFFAOYSA-N 0 3 186.299 1.197 20 0 ADADHN Cc1ccc(CN[C@@H](C)CCCO)o1 87358338 524590522 /nfs/dbraw/zinc/59/05/22/524590522.db2.gz URWNTMFNXAZUSV-VIFPVBQESA-N 0 3 197.278 1.839 20 0 ADADHN Cc1cnc(CN(C)CC2CC2)cn1 749440280 630906693 /nfs/dbraw/zinc/90/66/93/630906693.db2.gz CZQFQRGMRJNJSC-UHFFFAOYSA-N 0 3 191.278 1.627 20 0 ADADHN Cc1cnc(CN(C)CC(C)C)cn1 749441096 630907248 /nfs/dbraw/zinc/90/72/48/630907248.db2.gz QVXUXHQCYGBHLB-UHFFFAOYSA-N 0 3 193.294 1.873 20 0 ADADHN Cc1nccn1CCCN(C)CCF 767452096 630913585 /nfs/dbraw/zinc/91/35/85/630913585.db2.gz PLYLKQJXRJAXPW-UHFFFAOYSA-N 0 3 199.273 1.483 20 0 ADADHN Cc1ccc(CN[C@H](C)CCCO)o1 87358339 524601745 /nfs/dbraw/zinc/60/17/45/524601745.db2.gz URWNTMFNXAZUSV-SECBINFHSA-N 0 3 197.278 1.839 20 0 ADADHN CON=C(N)CN1[C@@H](C)CCC[C@H]1C 794532193 630927785 /nfs/dbraw/zinc/92/77/85/630927785.db2.gz UKOZUNTURXYINP-DTORHVGOSA-N 0 3 199.298 1.378 20 0 ADADHN CON=C(N)CN1[C@H](C)CCC[C@H]1C 794532200 630928465 /nfs/dbraw/zinc/92/84/65/630928465.db2.gz UKOZUNTURXYINP-RKDXNWHRSA-N 0 3 199.298 1.378 20 0 ADADHN CON=C(N)CN1[C@@H](C)CCC[C@@H]1C 794532198 630928835 /nfs/dbraw/zinc/92/88/35/630928835.db2.gz UKOZUNTURXYINP-IUCAKERBSA-N 0 3 199.298 1.378 20 0 ADADHN C[C@@H]1CC[C@@H](NCc2ccno2)C1 231882238 524617675 /nfs/dbraw/zinc/61/76/75/524617675.db2.gz VEUDPDSFKUMOMS-RKDXNWHRSA-N 0 3 180.251 1.953 20 0 ADADHN C[C@@H](N)c1cn(C[Si](C)(C)C)nn1 849136145 630960767 /nfs/dbraw/zinc/96/07/67/630960767.db2.gz ORLVQNMQEKPBOZ-SSDOTTSWSA-N 0 3 198.346 1.175 20 0 ADADHN C[C@H](N)c1cn(C[Si](C)(C)C)nn1 849136146 630961390 /nfs/dbraw/zinc/96/13/90/630961390.db2.gz ORLVQNMQEKPBOZ-ZETCQYMHSA-N 0 3 198.346 1.175 20 0 ADADHN O=C(OCCN1CCCCC1)C1CC1 849185345 630965337 /nfs/dbraw/zinc/96/53/37/630965337.db2.gz MMPKXMLCURKKPR-UHFFFAOYSA-N 0 3 197.278 1.426 20 0 ADADHN Nc1ncc(CN[C@H]2C=CCC2)s1 849350327 630967196 /nfs/dbraw/zinc/96/71/96/630967196.db2.gz NSIPQNCMKVRPNI-ZETCQYMHSA-N 0 3 195.291 1.534 20 0 ADADHN Nc1ncc(CN[C@@H]2C=CCC2)s1 849350325 630968288 /nfs/dbraw/zinc/96/82/88/630968288.db2.gz NSIPQNCMKVRPNI-SSDOTTSWSA-N 0 3 195.291 1.534 20 0 ADADHN OCC1(N(CCF)C2CC2)CCC1 852158922 630981999 /nfs/dbraw/zinc/98/19/99/630981999.db2.gz JWNBOLIDISABNL-UHFFFAOYSA-N 0 3 187.258 1.335 20 0 ADADHN O=C1OCC[C@H]1N1C[C@@H]2CCCC[C@@H]21 852220594 630983379 /nfs/dbraw/zinc/98/33/79/630983379.db2.gz UMIMMVXHDQHPOX-LPEHRKFASA-N 0 3 195.262 1.176 20 0 ADADHN CON(C)CCNCc1ccoc1C 857761138 630997053 /nfs/dbraw/zinc/99/70/53/630997053.db2.gz YSYCMXUBIIOIOA-UHFFFAOYSA-N 0 3 198.266 1.171 20 0 ADADHN CN(C/C=C/Cl)CC1(C)COC1 859567149 631001191 /nfs/dbraw/zinc/00/11/91/631001191.db2.gz OKTRKQOOCYKSHV-ONEGZZNKSA-N 0 3 189.686 1.707 20 0 ADADHN CN(C/C=C\Cl)CC1(C)COC1 859567148 631002323 /nfs/dbraw/zinc/00/23/23/631002323.db2.gz OKTRKQOOCYKSHV-ARJAWSKDSA-N 0 3 189.686 1.707 20 0 ADADHN CC1CC(CN2CCOCC23CC3)C1 930359712 631031085 /nfs/dbraw/zinc/03/10/85/631031085.db2.gz DSZYVBIYNYMUKF-UHFFFAOYSA-N 0 3 195.306 1.897 20 0 ADADHN CCCN[C@H](C)c1cc(OC)no1 924526338 631032250 /nfs/dbraw/zinc/03/22/50/631032250.db2.gz UWULUBLUGXQYRM-SSDOTTSWSA-N 0 3 184.239 1.744 20 0 ADADHN CC(C)CN[C@@H](C)c1cc(CO)on1 924530855 631032483 /nfs/dbraw/zinc/03/24/83/631032483.db2.gz HIOJLRPMSOPWMJ-QMMMGPOBSA-N 0 3 198.266 1.474 20 0 ADADHN CCC[C@H](C)N[C@@H](C)c1cnn(C)n1 924527535 631033082 /nfs/dbraw/zinc/03/30/82/631033082.db2.gz IHAOJZUVUDUVCV-IUCAKERBSA-N 0 3 196.298 1.654 20 0 ADADHN CCC[C@@H](C)N[C@H](C)c1cnn(C)n1 924527538 631033122 /nfs/dbraw/zinc/03/31/22/631033122.db2.gz IHAOJZUVUDUVCV-RKDXNWHRSA-N 0 3 196.298 1.654 20 0 ADADHN CC(C)CN[C@H](C)c1cc(CO)on1 924530854 631033868 /nfs/dbraw/zinc/03/38/68/631033868.db2.gz HIOJLRPMSOPWMJ-MRVPVSSYSA-N 0 3 198.266 1.474 20 0 ADADHN CCCN[C@@H](C)c1cc(OC)no1 924526340 631033992 /nfs/dbraw/zinc/03/39/92/631033992.db2.gz UWULUBLUGXQYRM-ZETCQYMHSA-N 0 3 184.239 1.744 20 0 ADADHN CC(C)CN[C@H](C)c1cnn(C)n1 924532216 631035218 /nfs/dbraw/zinc/03/52/18/631035218.db2.gz SNYWQSFZWZNJIU-MRVPVSSYSA-N 0 3 182.271 1.122 20 0 ADADHN CC[C@H](C)N[C@H](C)c1cnn(C)n1 924537088 631035392 /nfs/dbraw/zinc/03/53/92/631035392.db2.gz DMVSSFLNWQZUIF-JGVFFNPUSA-N 0 3 182.271 1.264 20 0 ADADHN CCC(CC)N[C@@H](C)c1cnn(C)n1 924535752 631035406 /nfs/dbraw/zinc/03/54/06/631035406.db2.gz STFHSTCJYSFPJU-QMMMGPOBSA-N 0 3 196.298 1.654 20 0 ADADHN CC(C)CCN[C@H](C)c1cnn(C)n1 924540134 631035454 /nfs/dbraw/zinc/03/54/54/631035454.db2.gz VZSYSYIFERXYEF-SECBINFHSA-N 0 3 196.298 1.512 20 0 ADADHN C[C@H](NC1CCCC1)c1cnn(C)n1 924535667 631035514 /nfs/dbraw/zinc/03/55/14/631035514.db2.gz SCTSGTZHWGFOSQ-QMMMGPOBSA-N 0 3 194.282 1.408 20 0 ADADHN CCC(CC)N[C@H](C)c1cnn(C)n1 924535750 631035540 /nfs/dbraw/zinc/03/55/40/631035540.db2.gz STFHSTCJYSFPJU-MRVPVSSYSA-N 0 3 196.298 1.654 20 0 ADADHN CC(C)CCN[C@@H](C)c1cnn(C)n1 924540136 631035700 /nfs/dbraw/zinc/03/57/00/631035700.db2.gz VZSYSYIFERXYEF-VIFPVBQESA-N 0 3 196.298 1.512 20 0 ADADHN CC[C@@H](C)N[C@H](C)c1cnn(C)n1 924537087 631036178 /nfs/dbraw/zinc/03/61/78/631036178.db2.gz DMVSSFLNWQZUIF-HTQZYQBOSA-N 0 3 182.271 1.264 20 0 ADADHN CC[C@@H](C)N[C@@H](C)c1cnn(C)n1 924537089 631036260 /nfs/dbraw/zinc/03/62/60/631036260.db2.gz DMVSSFLNWQZUIF-SFYZADRCSA-N 0 3 182.271 1.264 20 0 ADADHN C[C@@H](NC1CCCC1)c1cnn(C)n1 924535666 631036329 /nfs/dbraw/zinc/03/63/29/631036329.db2.gz SCTSGTZHWGFOSQ-MRVPVSSYSA-N 0 3 194.282 1.408 20 0 ADADHN COc1cc([C@@H](C)NCC(C)C)on1 924532973 631036411 /nfs/dbraw/zinc/03/64/11/631036411.db2.gz ZTDKGYVROHDFEJ-MRVPVSSYSA-N 0 3 198.266 1.990 20 0 ADADHN CC[C@H](C)N[C@@H](C)c1cnn(C)n1 924537090 631036424 /nfs/dbraw/zinc/03/64/24/631036424.db2.gz DMVSSFLNWQZUIF-YUMQZZPRSA-N 0 3 182.271 1.264 20 0 ADADHN COc1cc([C@H](C)NCC(C)C)on1 924532974 631036576 /nfs/dbraw/zinc/03/65/76/631036576.db2.gz ZTDKGYVROHDFEJ-QMMMGPOBSA-N 0 3 198.266 1.990 20 0 ADADHN CC(C)CN[C@@H](C)c1cnn(C)n1 924532217 631036593 /nfs/dbraw/zinc/03/65/93/631036593.db2.gz SNYWQSFZWZNJIU-QMMMGPOBSA-N 0 3 182.271 1.122 20 0 ADADHN COc1cc([C@@H](C)NCC2CC2)on1 924629215 631037430 /nfs/dbraw/zinc/03/74/30/631037430.db2.gz PSKQTFGMFHOYOD-SSDOTTSWSA-N 0 3 196.250 1.744 20 0 ADADHN C[C@@H](NCC1CCC1)c1cnn(C)n1 924801706 631037931 /nfs/dbraw/zinc/03/79/31/631037931.db2.gz IDGBPFWYYQDRGP-MRVPVSSYSA-N 0 3 194.282 1.266 20 0 ADADHN COc1cc([C@H](C)NCC2CC2)on1 924629216 631038089 /nfs/dbraw/zinc/03/80/89/631038089.db2.gz PSKQTFGMFHOYOD-ZETCQYMHSA-N 0 3 196.250 1.744 20 0 ADADHN C[C@H](NCC1CCC1)c1cnn(C)n1 924801707 631039474 /nfs/dbraw/zinc/03/94/74/631039474.db2.gz IDGBPFWYYQDRGP-QMMMGPOBSA-N 0 3 194.282 1.266 20 0 ADADHN COc1cc([C@H](C)NC2CCC2)on1 925378511 631040816 /nfs/dbraw/zinc/04/08/16/631040816.db2.gz XWPFDESIZJDPEM-ZETCQYMHSA-N 0 3 196.250 1.886 20 0 ADADHN C[C@@H](NCCC1CC1)c1cnn(C)n1 925479598 631041499 /nfs/dbraw/zinc/04/14/99/631041499.db2.gz IQEQAMBCWUZCEB-MRVPVSSYSA-N 0 3 194.282 1.266 20 0 ADADHN C[C@H](NCCC1CC1)c1cnn(C)n1 925479602 631041515 /nfs/dbraw/zinc/04/15/15/631041515.db2.gz IQEQAMBCWUZCEB-QMMMGPOBSA-N 0 3 194.282 1.266 20 0 ADADHN COc1cc([C@@H](C)NC2CCC2)on1 925378509 631041997 /nfs/dbraw/zinc/04/19/97/631041997.db2.gz XWPFDESIZJDPEM-SSDOTTSWSA-N 0 3 196.250 1.886 20 0 ADADHN C[C@@H](CN(C)C)N[C@@H](C)c1ncco1 926423867 631061766 /nfs/dbraw/zinc/06/17/66/631061766.db2.gz NRPOLOHJCQLUKB-IUCAKERBSA-N 0 3 197.282 1.275 20 0 ADADHN CC/C=C\CN[C@H]1C(=O)NCC1(C)C 926514801 631062028 /nfs/dbraw/zinc/06/20/28/631062028.db2.gz CRWYTMAKNBHOEJ-UDIARPCQSA-N 0 3 196.294 1.067 20 0 ADADHN CC/C=C\CN[C@@H]1C(=O)NCC1(C)C 926514799 631062344 /nfs/dbraw/zinc/06/23/44/631062344.db2.gz CRWYTMAKNBHOEJ-SSJHQANKSA-N 0 3 196.294 1.067 20 0 ADADHN CC/C=C/CN[C@@H]1C(=O)NCC1(C)C 926514802 631062726 /nfs/dbraw/zinc/06/27/26/631062726.db2.gz CRWYTMAKNBHOEJ-VUHVRTRXSA-N 0 3 196.294 1.067 20 0 ADADHN C[C@@H](CN(C)C)N[C@H](C)c1ncco1 926423866 631063538 /nfs/dbraw/zinc/06/35/38/631063538.db2.gz NRPOLOHJCQLUKB-DTWKUNHWSA-N 0 3 197.282 1.275 20 0 ADADHN CC/C=C/CN[C@H]1C(=O)NCC1(C)C 926514798 631064249 /nfs/dbraw/zinc/06/42/49/631064249.db2.gz CRWYTMAKNBHOEJ-CYNONHLPSA-N 0 3 196.294 1.067 20 0 ADADHN C[C@H](N[C@@H]1C=CCC1)c1cnnn1C 926688911 631067195 /nfs/dbraw/zinc/06/71/95/631067195.db2.gz HRKYNBHJYBOIEN-DTWKUNHWSA-N 0 3 192.266 1.184 20 0 ADADHN C[C@H](N[C@H]1C=CCC1)c1cnnn1C 926688912 631068119 /nfs/dbraw/zinc/06/81/19/631068119.db2.gz HRKYNBHJYBOIEN-IUCAKERBSA-N 0 3 192.266 1.184 20 0 ADADHN C[C@@H](N[C@H]1C=CCC1)c1cnnn1C 926688910 631069114 /nfs/dbraw/zinc/06/91/14/631069114.db2.gz HRKYNBHJYBOIEN-BDAKNGLRSA-N 0 3 192.266 1.184 20 0 ADADHN C[C@@H](N[C@@H]1C=CCC1)c1cnnn1C 926688913 631069838 /nfs/dbraw/zinc/06/98/38/631069838.db2.gz HRKYNBHJYBOIEN-RKDXNWHRSA-N 0 3 192.266 1.184 20 0 ADADHN CC(C)NCc1cc(C2CC2)n(C)n1 927112731 631071199 /nfs/dbraw/zinc/07/11/99/631071199.db2.gz QPXLYYGTSPODGR-UHFFFAOYSA-N 0 3 193.294 1.796 20 0 ADADHN C[C@H](N[C@H]1C[C@H](CO)C1)c1ccco1 927152032 631071252 /nfs/dbraw/zinc/07/12/52/631071252.db2.gz IXHYSWUMBPCRSY-GUBZILKMSA-N 0 3 195.262 1.701 20 0 ADADHN C[C@@H](N[C@H]1C[C@H](CO)C1)c1ccco1 927152033 631072120 /nfs/dbraw/zinc/07/21/20/631072120.db2.gz IXHYSWUMBPCRSY-OPRDCNLKSA-N 0 3 195.262 1.701 20 0 ADADHN CC[C@@H]1C[C@H]1CN1CCO[C@@H](C)C1 929109137 631079703 /nfs/dbraw/zinc/07/97/03/631079703.db2.gz JDRMDXFXWPIOED-AXFHLTTASA-N 0 3 183.295 1.753 20 0 ADADHN CC1CC(CN2CCO[C@@H](C)C2)C1 929108875 631080597 /nfs/dbraw/zinc/08/05/97/631080597.db2.gz FYJKMDAKENUYKJ-YVNMAJEFSA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1C[C@H]1CN1CCO[C@H](C)C1 929109139 631080607 /nfs/dbraw/zinc/08/06/07/631080607.db2.gz JDRMDXFXWPIOED-MXWKQRLJSA-N 0 3 183.295 1.753 20 0 ADADHN CC1CC(CN2CCO[C@H](C)C2)C1 929108874 631081659 /nfs/dbraw/zinc/08/16/59/631081659.db2.gz FYJKMDAKENUYKJ-HSOILSAZSA-N 0 3 183.295 1.753 20 0 ADADHN CC[C@@H]1C[C@H]1CN(C)CC(=O)N(C)C 929225064 631087081 /nfs/dbraw/zinc/08/70/81/631087081.db2.gz PHFIWSLMJQAUAA-ZJUUUORDSA-N 0 3 198.310 1.053 20 0 ADADHN CCNC(=O)CN(C)C[C@@H]1C[C@H]1CC 929296852 631087785 /nfs/dbraw/zinc/08/77/85/631087785.db2.gz QCGBXTXMMBFUHR-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN CCNC(=O)CN(C)CC1CC(C)C1 929296627 631087975 /nfs/dbraw/zinc/08/79/75/631087975.db2.gz PFYZWGJBIILLJS-UHFFFAOYSA-N 0 3 198.310 1.100 20 0 ADADHN C(CN1CCSCC1)OC1CC1 929278283 631089301 /nfs/dbraw/zinc/08/93/01/631089301.db2.gz UXVIHUMKQFDLSE-UHFFFAOYSA-N 0 3 187.308 1.214 20 0 ADADHN CC[C@@H]1C[C@H]1CN(CC)CC(=O)NC 929320978 631091974 /nfs/dbraw/zinc/09/19/74/631091974.db2.gz CWZBBPHMNHPFOW-ZJUUUORDSA-N 0 3 198.310 1.100 20 0 ADADHN CC[C@H](CO)N1CCOC2(CCC2)C1 930141734 631107174 /nfs/dbraw/zinc/10/71/74/631107174.db2.gz CUGBQTKWFKZBEZ-SNVBAGLBSA-N 0 3 199.294 1.012 20 0 ADADHN CC[C@@H](CO)N1CCOC2(CCC2)C1 930141733 631107551 /nfs/dbraw/zinc/10/75/51/631107551.db2.gz CUGBQTKWFKZBEZ-JTQLQIEISA-N 0 3 199.294 1.012 20 0 ADADHN Cc1cc(CNC2CCC2)n(C)n1 84244427 524753438 /nfs/dbraw/zinc/75/34/38/524753438.db2.gz QEPZSBRVIGPNIK-UHFFFAOYSA-N 0 3 179.267 1.371 20 0 ADADHN CCOCCN(C)CCOC1CC1 930178302 631108329 /nfs/dbraw/zinc/10/83/29/631108329.db2.gz YRQWOTOMIJQDPO-UHFFFAOYSA-N 0 3 187.283 1.134 20 0 ADADHN CC[C@@H]1C[C@H]1CN1CCOCC12CC2 930359923 631112317 /nfs/dbraw/zinc/11/23/17/631112317.db2.gz IICXUOJZZHKXMW-MNOVXSKESA-N 0 3 195.306 1.897 20 0 ADADHN CON1CCN(CC2CC(C)C2)CC1 930662019 631114273 /nfs/dbraw/zinc/11/42/73/631114273.db2.gz QIFALESARCXXON-UHFFFAOYSA-N 0 3 198.310 1.212 20 0 ADADHN CC[C@@H]1C[C@H]1CN1CCN(OC)CC1 930662226 631114637 /nfs/dbraw/zinc/11/46/37/631114637.db2.gz SMAWYDWBOPUVGW-MNOVXSKESA-N 0 3 198.310 1.212 20 0 ADADHN CC1CC(CN(C)Cc2c[nH]cn2)C1 930914090 631118184 /nfs/dbraw/zinc/11/81/84/631118184.db2.gz DHIFVRAPDTYPHA-UHFFFAOYSA-N 0 3 193.294 1.888 20 0 ADADHN CC[C@@H]1C[C@H]1CN(C)Cc1c[nH]cn1 930917740 631118380 /nfs/dbraw/zinc/11/83/80/631118380.db2.gz ZTOUCVYSXATTIX-ZJUUUORDSA-N 0 3 193.294 1.888 20 0 ADADHN c1nnc([C@@H]2CCC[N@@H+]2CC2CC2)[n-]1 931133750 631120550 /nfs/dbraw/zinc/12/05/50/631120550.db2.gz FULQNKWPRQUJHI-VIFPVBQESA-N 0 3 192.266 1.352 20 0 ADADHN c1nc([C@@H]2CCCN2CC2CC2)n[nH]1 931133750 631120542 /nfs/dbraw/zinc/12/05/42/631120542.db2.gz FULQNKWPRQUJHI-VIFPVBQESA-N 0 3 192.266 1.352 20 0 ADADHN c1nnc([C@@H]2CCC[N@H+]2CC2CC2)[n-]1 931133750 631120546 /nfs/dbraw/zinc/12/05/46/631120546.db2.gz FULQNKWPRQUJHI-VIFPVBQESA-N 0 3 192.266 1.352 20 0 ADADHN CCCC[N@@H+]1CCC[C@H]1c1nnc[n-]1 931134653 631120704 /nfs/dbraw/zinc/12/07/04/631120704.db2.gz FNVCVUCRRYCKTM-VIFPVBQESA-N 0 3 194.282 1.742 20 0 ADADHN CCCC[N@H+]1CCC[C@H]1c1nnc[n-]1 931134653 631120706 /nfs/dbraw/zinc/12/07/06/631120706.db2.gz FNVCVUCRRYCKTM-VIFPVBQESA-N 0 3 194.282 1.742 20 0 ADADHN CC(C)CN1CCC[C@H]1c1nc[nH]n1 931138395 631120751 /nfs/dbraw/zinc/12/07/51/631120751.db2.gz ZDDNJHLJUXAQGT-VIFPVBQESA-N 0 3 194.282 1.598 20 0 ADADHN CC(C)C[N@@H+]1CCC[C@H]1c1nnc[n-]1 931138395 631120752 /nfs/dbraw/zinc/12/07/52/631120752.db2.gz ZDDNJHLJUXAQGT-VIFPVBQESA-N 0 3 194.282 1.598 20 0 ADADHN CC(C)C[N@H+]1CCC[C@H]1c1nnc[n-]1 931138395 631120754 /nfs/dbraw/zinc/12/07/54/631120754.db2.gz ZDDNJHLJUXAQGT-VIFPVBQESA-N 0 3 194.282 1.598 20 0 ADADHN CC[C@@H](CO)NCc1cccc(F)n1 931770782 631127151 /nfs/dbraw/zinc/12/71/51/631127151.db2.gz BEXVXQMPONWXSC-QMMMGPOBSA-N 0 3 198.241 1.081 20 0 ADADHN CC[C@H](CO)NCc1cccc(F)n1 931770777 631128400 /nfs/dbraw/zinc/12/84/00/631128400.db2.gz BEXVXQMPONWXSC-MRVPVSSYSA-N 0 3 198.241 1.081 20 0 ADADHN CCN1CCC[C@@H]1C(=O)NC(C)(C)C 932438355 631132477 /nfs/dbraw/zinc/13/24/77/631132477.db2.gz FGKKNGREIACDMA-SECBINFHSA-N 0 3 198.310 1.385 20 0 ADADHN CCN1CCC[C@H]1C(=O)NC(C)(C)C 932438358 631132752 /nfs/dbraw/zinc/13/27/52/631132752.db2.gz FGKKNGREIACDMA-VIFPVBQESA-N 0 3 198.310 1.385 20 0 ADADHN c1cc2n(c1)CCN(CC1CC1)C2 932532622 631134941 /nfs/dbraw/zinc/13/49/41/631134941.db2.gz NLASZPGVONXWOY-UHFFFAOYSA-N 0 3 176.263 1.714 20 0 ADADHN CC(C)CN1CCn2cccc2C1 932531395 631135122 /nfs/dbraw/zinc/13/51/22/631135122.db2.gz RIJYHQXTDGUINS-UHFFFAOYSA-N 0 3 178.279 1.960 20 0 ADADHN CSCCN1CCn2cccc2C1 932528973 631135437 /nfs/dbraw/zinc/13/54/37/631135437.db2.gz UDRJDVKWCNLTSI-UHFFFAOYSA-N 0 3 196.319 1.667 20 0 ADADHN CCn1cnc2c1CCN(C(C)C)C2 933263544 631139856 /nfs/dbraw/zinc/13/98/56/631139856.db2.gz NVFZIRSEAXJMLD-UHFFFAOYSA-N 0 3 193.294 1.670 20 0 ADADHN CCCCN1CCO[C@@H]2COCC[C@@H]21 933972095 631143620 /nfs/dbraw/zinc/14/36/20/631143620.db2.gz PKMUIGPLSCIQDS-WDEREUQCSA-N 0 3 199.294 1.276 20 0 ADADHN CC(=O)CN[C@H](C)Cc1cccnc1 934228460 631144233 /nfs/dbraw/zinc/14/42/33/631144233.db2.gz YCCSOOMPMCWSOJ-SECBINFHSA-N 0 3 192.262 1.191 20 0 ADADHN CC(=O)CN[C@@H](C)Cc1cccnc1 934228461 631145313 /nfs/dbraw/zinc/14/53/13/631145313.db2.gz YCCSOOMPMCWSOJ-VIFPVBQESA-N 0 3 192.262 1.191 20 0 ADADHN CC(C)C(=O)OCCN1CCCCC1 39203638 631147484 /nfs/dbraw/zinc/14/74/84/631147484.db2.gz OGDFSNPXNALBMI-UHFFFAOYSA-N 0 3 199.294 1.672 20 0 ADADHN CCC(=O)OCCN1CCCCC1 39203636 631147800 /nfs/dbraw/zinc/14/78/00/631147800.db2.gz ZTDDAUJXOBVPMN-UHFFFAOYSA-N 0 3 185.267 1.426 20 0 ADADHN CSCC(C)(C)NCC(C)=O 934664153 631149481 /nfs/dbraw/zinc/14/94/81/631149481.db2.gz PCFPSJKBYITXPB-UHFFFAOYSA-N 0 3 175.297 1.307 20 0 ADADHN Cl/C=C/CN1CCCC1 41362262 631153655 /nfs/dbraw/zinc/15/36/55/631153655.db2.gz UHANHTPFIIYXEC-ONEGZZNKSA-N 0 3 145.633 1.835 20 0 ADADHN C[C@H](N)c1cn(CC2CCCC2)nn1 158977560 631154316 /nfs/dbraw/zinc/15/43/16/631154316.db2.gz GANJRIJPRKHGAO-QMMMGPOBSA-N 0 3 194.282 1.488 20 0 ADADHN C[C@@H](N)c1cn(CC2CCCC2)nn1 158977668 631154794 /nfs/dbraw/zinc/15/47/94/631154794.db2.gz GANJRIJPRKHGAO-MRVPVSSYSA-N 0 3 194.282 1.488 20 0 ADADHN C[C@@H](N)C(=O)N1CCC2(CCCC2)C1 83928484 631158913 /nfs/dbraw/zinc/15/89/13/631158913.db2.gz GGOIWRWMVCDGNX-SECBINFHSA-N 0 3 196.294 1.126 20 0 ADADHN C[C@H](N)C(=O)N1CCC2(CCCC2)C1 83928483 631159025 /nfs/dbraw/zinc/15/90/25/631159025.db2.gz GGOIWRWMVCDGNX-VIFPVBQESA-N 0 3 196.294 1.126 20 0 ADADHN FC1(F)CC(NCc2cnc[nH]2)C1 306208149 631169089 /nfs/dbraw/zinc/16/90/89/631169089.db2.gz BBLBZJRJCYIKCR-UHFFFAOYSA-N 0 3 187.193 1.297 20 0 ADADHN [NH3+][C@@H](c1ccc([O-])c(F)c1)C1CC1 95663137 631161635 /nfs/dbraw/zinc/16/16/35/631161635.db2.gz ZOUHBCAOLZCMLH-SNVBAGLBSA-N 0 3 181.210 1.941 20 0 ADADHN COC[C@H](C)N1CCC(F)(F)CC1 306171380 631167598 /nfs/dbraw/zinc/16/75/98/631167598.db2.gz AVXPOWGTIYJCRQ-QMMMGPOBSA-N 0 3 193.237 1.752 20 0 ADADHN COC[C@@H](C)N1CCC(F)(F)CC1 306171374 631167673 /nfs/dbraw/zinc/16/76/73/631167673.db2.gz AVXPOWGTIYJCRQ-MRVPVSSYSA-N 0 3 193.237 1.752 20 0 ADADHN C[C@@H](O)[C@@H]1CCCN(CCF)C1 306260295 631168060 /nfs/dbraw/zinc/16/80/60/631168060.db2.gz JZEWPNFZYUEINK-RKDXNWHRSA-N 0 3 175.247 1.049 20 0 ADADHN C[C@@H](O)[C@H]1CCCN(CCF)C1 306260292 631168363 /nfs/dbraw/zinc/16/83/63/631168363.db2.gz JZEWPNFZYUEINK-BDAKNGLRSA-N 0 3 175.247 1.049 20 0 ADADHN C[C@H](O)[C@@H]1CCCN(CCF)C1 306260293 631168614 /nfs/dbraw/zinc/16/86/14/631168614.db2.gz JZEWPNFZYUEINK-DTWKUNHWSA-N 0 3 175.247 1.049 20 0 ADADHN C[C@H](O)[C@H]1CCCN(CCF)C1 306260294 631168828 /nfs/dbraw/zinc/16/88/28/631168828.db2.gz JZEWPNFZYUEINK-IUCAKERBSA-N 0 3 175.247 1.049 20 0 ADADHN C[C@H](O)CN1CCC(F)(F)CC1 306264758 631169267 /nfs/dbraw/zinc/16/92/67/631169267.db2.gz AVEARUCTBYWYAK-ZETCQYMHSA-N 0 3 179.210 1.098 20 0 ADADHN CC[C@H](C)CN(C)CC1OCCO1 306293233 631169392 /nfs/dbraw/zinc/16/93/92/631169392.db2.gz WOOVJHNVDGAYFQ-VIFPVBQESA-N 0 3 187.283 1.337 20 0 ADADHN CO[C@@H]1CCN(CCF)[C@H](C)C1 306264850 631169432 /nfs/dbraw/zinc/16/94/32/631169432.db2.gz OQAYKIWAIUIBIV-RKDXNWHRSA-N 0 3 175.247 1.455 20 0 ADADHN Cn1cnc(CN[C@H]2CC=CCC2)c1 306252568 631169492 /nfs/dbraw/zinc/16/94/92/631169492.db2.gz IDAUYODXJHHIPM-JTQLQIEISA-N 0 3 191.278 1.618 20 0 ADADHN CO[C@H]1CCN(CCF)[C@@H](C)C1 306264849 631169500 /nfs/dbraw/zinc/16/95/00/631169500.db2.gz OQAYKIWAIUIBIV-IUCAKERBSA-N 0 3 175.247 1.455 20 0 ADADHN CO[C@H]1CCN(CCF)[C@H](C)C1 306264847 631169547 /nfs/dbraw/zinc/16/95/47/631169547.db2.gz OQAYKIWAIUIBIV-BDAKNGLRSA-N 0 3 175.247 1.455 20 0 ADADHN CCC[C@H](C)N(C)CC1OCCO1 306285324 631169602 /nfs/dbraw/zinc/16/96/02/631169602.db2.gz KBLSTEMJQOMBJD-VIFPVBQESA-N 0 3 187.283 1.480 20 0 ADADHN O[C@@H](CN1CCC1)c1ccccc1 306262709 631169803 /nfs/dbraw/zinc/16/98/03/631169803.db2.gz ZAQPGZXLUMKSCV-NSHDSACASA-N 0 3 177.247 1.426 20 0 ADADHN CO[C@@H]1CCN(CCF)[C@@H](C)C1 306264848 631169922 /nfs/dbraw/zinc/16/99/22/631169922.db2.gz OQAYKIWAIUIBIV-DTWKUNHWSA-N 0 3 175.247 1.455 20 0 ADADHN Cn1cnc(CN[C@@H]2CC=CCC2)c1 306252569 631169958 /nfs/dbraw/zinc/16/99/58/631169958.db2.gz IDAUYODXJHHIPM-SNVBAGLBSA-N 0 3 191.278 1.618 20 0 ADADHN CC[C@@H](C)CN(C)CC1OCCO1 306293232 631169977 /nfs/dbraw/zinc/16/99/77/631169977.db2.gz WOOVJHNVDGAYFQ-SECBINFHSA-N 0 3 187.283 1.337 20 0 ADADHN CCC[C@@H](C)N(C)CC1OCCO1 306285322 631170144 /nfs/dbraw/zinc/17/01/44/631170144.db2.gz KBLSTEMJQOMBJD-SECBINFHSA-N 0 3 187.283 1.480 20 0 ADADHN Cn1ncc(CNC2CCCCC2)n1 306264792 631170154 /nfs/dbraw/zinc/17/01/54/631170154.db2.gz AXRYJXCFWFKSSH-UHFFFAOYSA-N 0 3 194.282 1.237 20 0 ADADHN Cc1ccc([C@@H](O)CN2CCC2)cc1 306300316 631170672 /nfs/dbraw/zinc/17/06/72/631170672.db2.gz UDEQWOVSNGXYKF-LBPRGKRZSA-N 0 3 191.274 1.734 20 0 ADADHN C[C@H]1CCC[C@@H]1NCc1cnn(C)n1 306298228 631170721 /nfs/dbraw/zinc/17/07/21/631170721.db2.gz HFBPNMOGEKKMCO-WPRPVWTQSA-N 0 3 194.282 1.093 20 0 ADADHN C[C@H]1CCC[C@H]1NCc1cnn(C)n1 306298227 631170789 /nfs/dbraw/zinc/17/07/89/631170789.db2.gz HFBPNMOGEKKMCO-WCBMZHEXSA-N 0 3 194.282 1.093 20 0 ADADHN Cc1cccc([C@H](O)CN2CCC2)c1 306355635 631171021 /nfs/dbraw/zinc/17/10/21/631171021.db2.gz VVVXXZVCSNFMLN-GFCCVEGCSA-N 0 3 191.274 1.734 20 0 ADADHN Cc1cccc([C@@H](O)CN2CCC2)c1 306355636 631171038 /nfs/dbraw/zinc/17/10/38/631171038.db2.gz VVVXXZVCSNFMLN-LBPRGKRZSA-N 0 3 191.274 1.734 20 0 ADADHN CCCN1C[C@@H]2CC[C@H](C1)N2C(C)=O 1017281227 631172455 /nfs/dbraw/zinc/17/24/55/631172455.db2.gz JOIQZXGXKQYMTC-PHIMTYICSA-N 0 3 196.294 1.092 20 0 ADADHN C[C@H](N)C(=O)N1CCCCC[C@H]1C 69945012 524816160 /nfs/dbraw/zinc/81/61/60/524816160.db2.gz RMNMPZQAFPLBPT-BDAKNGLRSA-N 0 3 184.283 1.125 20 0 ADADHN C[C@H]1C[C@H]1NCc1cncc(F)c1 230940147 524964805 /nfs/dbraw/zinc/96/48/05/524964805.db2.gz GSNXOHDHTRXMIP-OIBJUYFYSA-N 0 3 180.226 1.719 20 0 ADADHN C=CC(=O)N(CCN(C)C)CC(C)C 37834364 1224167843 /nfs/dbraw/zinc/16/78/43/1224167843.db2.gz MYFHFNYARSNYCK-UHFFFAOYSA-N 0 3 198.310 1.219 20 0 ADADHN CCCC[C@@H](N)C(=O)NC1CCC1 52211126 1224170370 /nfs/dbraw/zinc/17/03/70/1224170370.db2.gz YMFMMMBYDSCCAJ-SECBINFHSA-N 0 3 184.283 1.173 20 0 ADADHN CCCC[C@H](N)C(=O)NC1CCC1 52211123 1224170545 /nfs/dbraw/zinc/17/05/45/1224170545.db2.gz YMFMMMBYDSCCAJ-VIFPVBQESA-N 0 3 184.283 1.173 20 0 ADADHN CCN[C@H](CC)c1nccn1C 69029274 1224175017 /nfs/dbraw/zinc/17/50/17/1224175017.db2.gz RKXWZNDMRFGFIU-MRVPVSSYSA-N 0 3 167.256 1.481 20 0 ADADHN CCCC[C@H](N)C(=O)NC1CC(C)C1 159098683 1224190189 /nfs/dbraw/zinc/19/01/89/1224190189.db2.gz XHEREWVOBGAITP-RTBKNWGFSA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@@H](N)C(=O)NC1CC(C)C1 159098793 1224190300 /nfs/dbraw/zinc/19/03/00/1224190300.db2.gz XHEREWVOBGAITP-UDNWOFFPSA-N 0 3 198.310 1.419 20 0 ADADHN CCCC[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C 159092173 1224190431 /nfs/dbraw/zinc/19/04/31/1224190431.db2.gz XTLGWPJCPQXZPA-GUBZILKMSA-N 0 3 198.310 1.276 20 0 ADADHN CCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]1C 159092418 1224190498 /nfs/dbraw/zinc/19/04/98/1224190498.db2.gz XTLGWPJCPQXZPA-AEJSXWLSSA-N 0 3 198.310 1.276 20 0 ADADHN C[C@H](N[C@@H]1CCCOC1)c1cn[nH]c1 222501528 525555502 /nfs/dbraw/zinc/55/55/02/525555502.db2.gz SZWRQBAJTPWJQX-WCBMZHEXSA-N 0 3 195.266 1.239 20 0 ADADHN Cc1occc1CN(C)[C@@H](C)[C@H](C)O 227482396 1224228103 /nfs/dbraw/zinc/22/81/03/1224228103.db2.gz PPCVDHIBHAQEGM-IUCAKERBSA-N 0 3 197.278 1.789 20 0 ADADHN Cc1occc1CN(C)[C@H](C)[C@H](C)O 227482388 1224228433 /nfs/dbraw/zinc/22/84/33/1224228433.db2.gz PPCVDHIBHAQEGM-BDAKNGLRSA-N 0 3 197.278 1.789 20 0 ADADHN CC[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)N)C1 306220035 1224248550 /nfs/dbraw/zinc/24/85/50/1224248550.db2.gz HGSXNFCPFJNPGS-IVZWLZJFSA-N 0 3 198.310 1.371 20 0 ADADHN Cc1cc(CN[C@@H]2CCSC2)[nH]n1 306278933 1224250253 /nfs/dbraw/zinc/25/02/53/1224250253.db2.gz QWMQJXVNHYWGQP-MRVPVSSYSA-N 0 3 197.307 1.313 20 0 ADADHN Cc1cc(CN[C@H]2CCSC2)[nH]n1 306278934 1224250431 /nfs/dbraw/zinc/25/04/31/1224250431.db2.gz QWMQJXVNHYWGQP-QMMMGPOBSA-N 0 3 197.307 1.313 20 0 ADADHN CC(C)(C)[C@H](N)C(=O)N1CCC1(C)C 306658986 1224271834 /nfs/dbraw/zinc/27/18/34/1224271834.db2.gz JEGAMBKWPDDIPE-MRVPVSSYSA-N 0 3 198.310 1.371 20 0 ADADHN C[C@H](N[C@H]1CCSC1)c1cn[nH]c1 222487922 525626378 /nfs/dbraw/zinc/62/63/78/525626378.db2.gz XCLRUYBJGKDCBR-CBAPKCEASA-N 0 3 197.307 1.566 20 0 ADADHN CN(CCF)CC1CC1 307111175 1224276441 /nfs/dbraw/zinc/27/64/41/1224276441.db2.gz LEFCPIBTPQMOSO-UHFFFAOYSA-N 0 3 131.194 1.298 20 0 ADADHN Cc1oncc1CN1CCCC1 307464756 1224284634 /nfs/dbraw/zinc/28/46/34/1224284634.db2.gz HINMJLWYBNELOM-UHFFFAOYSA-N 0 3 166.224 1.579 20 0 ADADHN CCN(CCF)C1CC1 307558619 1224287834 /nfs/dbraw/zinc/28/78/34/1224287834.db2.gz WEJGRPFSOPSFKA-UHFFFAOYSA-N 0 3 131.194 1.440 20 0 ADADHN Cc1ccc(CNC2CC2)nn1 307616396 1224289033 /nfs/dbraw/zinc/28/90/33/1224289033.db2.gz SGRJGVSKXKWZEE-UHFFFAOYSA-N 0 3 163.224 1.037 20 0 ADADHN C[C@@H](NCc1cn(C)cn1)C1CC1 308326258 1224298303 /nfs/dbraw/zinc/29/83/03/1224298303.db2.gz GFQLPNGOWACAMZ-MRVPVSSYSA-N 0 3 179.267 1.308 20 0 ADADHN C[C@H](NCc1cn(C)cn1)C1CC1 308326260 1224298319 /nfs/dbraw/zinc/29/83/19/1224298319.db2.gz GFQLPNGOWACAMZ-QMMMGPOBSA-N 0 3 179.267 1.308 20 0 ADADHN Cc1ccnc(CN[C@H](C)[C@@H](C)O)c1 328249542 1224302729 /nfs/dbraw/zinc/30/27/29/1224302729.db2.gz IURGMSXSTKBZOM-NXEZZACHSA-N 0 3 194.278 1.249 20 0 ADADHN Cc1ccnc(CN[C@H](C)[C@H](C)O)c1 328249547 1224303181 /nfs/dbraw/zinc/30/31/81/1224303181.db2.gz IURGMSXSTKBZOM-ZJUUUORDSA-N 0 3 194.278 1.249 20 0 ADADHN Cc1ccnc(CN[C@@H](C)[C@@H](C)O)c1 328249545 1224303072 /nfs/dbraw/zinc/30/30/72/1224303072.db2.gz IURGMSXSTKBZOM-VHSXEESVSA-N 0 3 194.278 1.249 20 0 ADADHN Cc1ccnc(CN[C@@H](C)[C@H](C)O)c1 328249544 1224303431 /nfs/dbraw/zinc/30/34/31/1224303431.db2.gz IURGMSXSTKBZOM-UWVGGRQHSA-N 0 3 194.278 1.249 20 0 ADADHN Cn1ccc(CNC(C)(C)CF)c1 379374931 1224310121 /nfs/dbraw/zinc/31/01/21/1224310121.db2.gz NUTLXNRVTYBJKJ-UHFFFAOYSA-N 0 3 184.258 1.863 20 0 ADADHN C[C@@H](N)C(=O)N(C)[C@H](C)c1ccco1 379818485 1224317492 /nfs/dbraw/zinc/31/74/92/1224317492.db2.gz SLMPJEGQGCDKSG-HTQZYQBOSA-N 0 3 196.250 1.146 20 0 ADADHN C[C@@H](c1ccco1)N(C)C(=O)[C@@H](C)N 379818486 1224317851 /nfs/dbraw/zinc/31/78/51/1224317851.db2.gz SLMPJEGQGCDKSG-SFYZADRCSA-N 0 3 196.250 1.146 20 0 ADADHN CN(C(=O)[C@H](N)CC1CC1)C(C)(C)C 382085614 1224320922 /nfs/dbraw/zinc/32/09/22/1224320922.db2.gz GGPIBRSFBRXWBZ-SECBINFHSA-N 0 3 198.310 1.371 20 0 ADADHN CN(C(=O)[C@@H](N)CC1CC1)C(C)(C)C 382085617 1224321378 /nfs/dbraw/zinc/32/13/78/1224321378.db2.gz GGPIBRSFBRXWBZ-VIFPVBQESA-N 0 3 198.310 1.371 20 0 ADADHN Cc1n[nH]cc1CNC/C=C/C1CC1 382235537 1224322970 /nfs/dbraw/zinc/32/29/70/1224322970.db2.gz QJKKSHDDVTWSMW-NSCUHMNNSA-N 0 3 191.278 1.774 20 0 ADADHN Cc1n[nH]cc1CNC/C=C\C1CC1 382235523 1224323233 /nfs/dbraw/zinc/32/32/33/1224323233.db2.gz QJKKSHDDVTWSMW-IHWYPQMZSA-N 0 3 191.278 1.774 20 0 ADADHN CSCCNCc1ccc(C)nn1 396624731 1224335819 /nfs/dbraw/zinc/33/58/19/1224335819.db2.gz VXKGJZDRAVBDEZ-UHFFFAOYSA-N 0 3 197.307 1.238 20 0 ADADHN CC(C)C(=O)N1[C@H](C)CN[C@H](C)[C@H]1C 401304209 1224341532 /nfs/dbraw/zinc/34/15/32/1224341532.db2.gz RXVGSWHVWPRUEF-OPRDCNLKSA-N 0 3 198.310 1.240 20 0 ADADHN CC(C)C(=O)N1[C@@H](C)[C@H](C)NC[C@H]1C 401304213 1224341868 /nfs/dbraw/zinc/34/18/68/1224341868.db2.gz RXVGSWHVWPRUEF-UTLUCORTSA-N 0 3 198.310 1.240 20 0 ADADHN CC(C)C(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C 401304205 1224342373 /nfs/dbraw/zinc/34/23/73/1224342373.db2.gz RXVGSWHVWPRUEF-KXUCPTDWSA-N 0 3 198.310 1.240 20 0 ADADHN CC(C)C(=O)N1[C@@H](C)[C@@H](C)NC[C@H]1C 401304201 1224342756 /nfs/dbraw/zinc/34/27/56/1224342756.db2.gz RXVGSWHVWPRUEF-BBBLOLIVSA-N 0 3 198.310 1.240 20 0 ADADHN Cc1c(CNC2CCC2)cnn1C 86552061 525722013 /nfs/dbraw/zinc/72/20/13/525722013.db2.gz SWWPSMMEXOFFRF-UHFFFAOYSA-N 0 3 179.267 1.371 20 0 ADADHN Cc1c(CNC2CC(C)C2)cnn1C 160162108 525723043 /nfs/dbraw/zinc/72/30/43/525723043.db2.gz QMHKFILKXYJUKJ-UHFFFAOYSA-N 0 3 193.294 1.617 20 0 ADADHN CCN[C@@H]1CCCn2ccnc21 1326844585 1224435819 /nfs/dbraw/zinc/43/58/19/1224435819.db2.gz UZEKNJVYRWLHGA-MRVPVSSYSA-N 0 3 165.240 1.328 20 0 ADADHN CCN[C@H]1CCCn2ccnc21 1326844586 1224435909 /nfs/dbraw/zinc/43/59/09/1224435909.db2.gz UZEKNJVYRWLHGA-QMMMGPOBSA-N 0 3 165.240 1.328 20 0 ADADHN C[C@@H]1[C@H](O)CCN1Cc1ccncc1 1334725763 1224461013 /nfs/dbraw/zinc/46/10/13/1224461013.db2.gz RPMNNPKBZFCENJ-MWLCHTKSSA-N 0 3 192.262 1.037 20 0 ADADHN CCC=CCNCc1cc(C)n[nH]1 1347792472 1224467460 /nfs/dbraw/zinc/46/74/60/1224467460.db2.gz RLJLLNLDDWFDQP-SNAWJCMRSA-N 0 3 179.267 1.774 20 0 ADADHN CCC=CCNCc1cc(C)[nH]n1 1347792472 1224467468 /nfs/dbraw/zinc/46/74/68/1224467468.db2.gz RLJLLNLDDWFDQP-SNAWJCMRSA-N 0 3 179.267 1.774 20 0 ADADHN Cc1ccoc1CN[C@H]1CCO[C@H]1C 160693815 525810518 /nfs/dbraw/zinc/81/05/18/525810518.db2.gz OIBFGNHIHMFAIN-UWVGGRQHSA-N 0 3 195.262 1.855 20 0 ADADHN CCN(Cc1cnnn1C)C(C)(C)C 1347791530 1224467563 /nfs/dbraw/zinc/46/75/63/1224467563.db2.gz GKUZCGFRZNZHQW-UHFFFAOYSA-N 0 3 196.298 1.436 20 0 ADADHN CCC=CCNCc1cc(C)n[nH]1 1347792452 1224467997 /nfs/dbraw/zinc/46/79/97/1224467997.db2.gz RLJLLNLDDWFDQP-PLNGDYQASA-N 0 3 179.267 1.774 20 0 ADADHN CCC=CCNCc1cc(C)[nH]n1 1347792452 1224468004 /nfs/dbraw/zinc/46/80/04/1224468004.db2.gz RLJLLNLDDWFDQP-PLNGDYQASA-N 0 3 179.267 1.774 20 0 ADADHN CCCCNCc1n[nH]cc1C 388399704 538431622 /nfs/dbraw/zinc/43/16/22/538431622.db2.gz MJAHNQNPDVSOKG-UHFFFAOYSA-N 0 3 167.256 1.608 20 0 ADADHN C/C=C/CN[C@@H](C)c1cn[nH]c1 388403098 538431625 /nfs/dbraw/zinc/43/16/25/538431625.db2.gz PUFXSOHJQWTBBA-RTMURIBGSA-N 0 3 165.240 1.636 20 0 ADADHN FCCCCN1CCCOCC1 388400525 538431690 /nfs/dbraw/zinc/43/16/90/538431690.db2.gz NILBZEGWRSEMPI-UHFFFAOYSA-N 0 3 175.247 1.458 20 0 ADADHN COC1(CNCCF)CCCC1 388518048 538433618 /nfs/dbraw/zinc/43/36/18/538433618.db2.gz VGQSUQZPCWTNBK-UHFFFAOYSA-N 0 3 175.247 1.505 20 0 ADADHN C[C@H](N)C(=O)N(C)c1ccsc1 1574086517 1224491760 /nfs/dbraw/zinc/49/17/60/1224491760.db2.gz OSZRSEVXWJWPDL-LURJTMIESA-N 0 3 184.264 1.058 20 0 ADADHN C[C@H](N)C(=O)NC1CC(C(C)(C)C)C1 1574086530 1224492056 /nfs/dbraw/zinc/49/20/56/1224492056.db2.gz PCULYMABDZMIGM-UEJVZZJDSA-N 0 3 198.310 1.275 20 0 ADADHN CCC[C@]1(NCCF)CCOC1 388523780 538433344 /nfs/dbraw/zinc/43/33/44/538433344.db2.gz YNNUONNMDQHUPF-VIFPVBQESA-N 0 3 175.247 1.505 20 0 ADADHN CC(C)[C@@H](C)N[C@H](C)c1ncnn1C 389277673 538440263 /nfs/dbraw/zinc/44/02/63/538440263.db2.gz PYBJMDQZAIXSHY-RKDXNWHRSA-N 0 3 196.298 1.510 20 0 ADADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ncnn1C 389283838 538440279 /nfs/dbraw/zinc/44/02/79/538440279.db2.gz UFQAKJNFGAFPRR-VGMNWLOBSA-N 0 3 194.282 1.122 20 0 ADADHN CO[C@@H](C)[C@H](C)NCc1cc(C)[nH]n1 389268664 538440290 /nfs/dbraw/zinc/44/02/90/538440290.db2.gz KPTJYWQZEGCJCE-IUCAKERBSA-N 0 3 197.282 1.231 20 0 ADADHN CO[C@@H](C)[C@H](C)NCc1cc(C)n[nH]1 389268664 538440291 /nfs/dbraw/zinc/44/02/91/538440291.db2.gz KPTJYWQZEGCJCE-IUCAKERBSA-N 0 3 197.282 1.231 20 0 ADADHN CC(C)[C@H](C)N[C@@H](C)c1ncnn1C 389277670 538440300 /nfs/dbraw/zinc/44/03/00/538440300.db2.gz PYBJMDQZAIXSHY-IUCAKERBSA-N 0 3 196.298 1.510 20 0 ADADHN c1nn(C2CCC2)cc1CNC1CC1 675054564 538448656 /nfs/dbraw/zinc/44/86/56/538448656.db2.gz WVWUGYIKHXROSI-UHFFFAOYSA-N 0 3 191.278 1.860 20 0 ADADHN Cc1ccc(F)c(C2(N)CC(O)C2)c1 675058669 538449619 /nfs/dbraw/zinc/44/96/19/538449619.db2.gz RSZSIFHLTXZCST-UHFFFAOYSA-N 0 3 195.237 1.443 20 0 ADADHN C[C@@]1(NCc2cncs2)CCOC1 160185573 525876146 /nfs/dbraw/zinc/87/61/46/525876146.db2.gz BPHHPNIFUODJSP-SECBINFHSA-N 0 3 198.291 1.412 20 0 ADADHN c1c[nH]c(CN[C@@H]2CCCOCC2)n1 83425845 526407307 /nfs/dbraw/zinc/40/73/07/526407307.db2.gz RBJITIRGDGRUAB-SECBINFHSA-N 0 3 195.266 1.068 20 0 ADADHN NC1(C(=O)NCC2CCCC2)CCC1 88050275 527126122 /nfs/dbraw/zinc/12/61/22/527126122.db2.gz HKRVYOTZBVUKAF-UHFFFAOYSA-N 0 3 196.294 1.174 20 0 ADADHN Cn1cncc1CNC1CCC1 82560991 527509260 /nfs/dbraw/zinc/50/92/60/527509260.db2.gz KPVPJJMFVGOJTQ-UHFFFAOYSA-N 0 3 165.240 1.062 20 0 ADADHN Nc1nc(-c2ccccc2F)c[nH]1 83963834 527539613 /nfs/dbraw/zinc/53/96/13/527539613.db2.gz PKPKFXMOWDZULC-UHFFFAOYSA-N 0 3 177.182 1.798 20 0 ADADHN Nc1nc(-c2ccsc2)c[nH]1 85279352 527540802 /nfs/dbraw/zinc/54/08/02/527540802.db2.gz MGTUNZADZDFCPL-UHFFFAOYSA-N 0 3 165.221 1.720 20 0 ADADHN Cc1nn(C)cc1CNC(C)C 70631398 527692741 /nfs/dbraw/zinc/69/27/41/527692741.db2.gz UMWFYCADYRPYGO-UHFFFAOYSA-N 0 3 167.256 1.227 20 0 ADADHN CC(C)N(C)C(=O)C1(N)CCCCC1 19514842 528793210 /nfs/dbraw/zinc/79/32/10/528793210.db2.gz VEBRDFWUCTUVBT-UHFFFAOYSA-N 0 3 198.310 1.515 20 0 ADADHN