smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](CO)Nc1cccc[nH+]1 35100427 537795002 /nfs/dbraw/zinc/79/50/02/537795002.db2.gz QTWZJZPIMVIKMI-QMMMGPOBSA-N 1 2 166.224 1.264 20 0 ADADLO CC[C@H](CO)Nc1cccc[nH+]1 35100428 537797745 /nfs/dbraw/zinc/79/77/45/537797745.db2.gz QTWZJZPIMVIKMI-MRVPVSSYSA-N 1 2 166.224 1.264 20 0 ADADLO CCc1cc(NC(C)(C)CO)nc[nH+]1 40765096 537838002 /nfs/dbraw/zinc/83/80/02/537838002.db2.gz MKQBTHSEEZEJOT-UHFFFAOYSA-N 1 2 195.266 1.222 20 0 ADADLO CCOc1cc(-n2cc[nH+]c2)ncn1 39117179 537838093 /nfs/dbraw/zinc/83/80/93/537838093.db2.gz DGBAATZGUWPWGA-UHFFFAOYSA-N 1 2 190.206 1.061 20 0 ADADLO COCCOc1cc[nH+]cc1 39644575 537838552 /nfs/dbraw/zinc/83/85/52/537838552.db2.gz UVBGINQLWGPQLT-UHFFFAOYSA-N 1 2 153.181 1.107 20 0 ADADLO c1ccc(C[NH2+]Cc2ccon2)cc1 41670993 537842910 /nfs/dbraw/zinc/84/29/10/537842910.db2.gz UVZIJZGYWYZWGE-UHFFFAOYSA-N 1 2 188.230 1.964 20 0 ADADLO c1coc(C[NH2+]Cc2ccon2)c1 41670984 537843212 /nfs/dbraw/zinc/84/32/12/537843212.db2.gz IVLVUFMMGQYMKY-UHFFFAOYSA-N 1 2 178.191 1.557 20 0 ADADLO c1coc(C[NH2+]Cc2ccno2)c1 41042009 537843851 /nfs/dbraw/zinc/84/38/51/537843851.db2.gz UAGSKRFBKYADMC-UHFFFAOYSA-N 1 2 178.191 1.557 20 0 ADADLO Cc1cc(C[NH2+]Cc2ccco2)no1 44293699 537849107 /nfs/dbraw/zinc/84/91/07/537849107.db2.gz FQVRBAXCYKLZDU-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO C[C@H](O)CCCn1cc[nH+]c1 45620714 537861275 /nfs/dbraw/zinc/86/12/75/537861275.db2.gz FUBHKEKWPSXYGT-QMMMGPOBSA-N 1 2 154.213 1.044 20 0 ADADLO CC(C)(C)OC(=O)[C@@H]1C[C@H](F)C[NH2+]1 81134640 537877223 /nfs/dbraw/zinc/87/72/23/537877223.db2.gz JMORIDAQGDQESW-BQBZGAKWSA-N 1 2 189.230 1.028 20 0 ADADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H](F)C[NH2+]1 81134641 537877306 /nfs/dbraw/zinc/87/73/06/537877306.db2.gz JMORIDAQGDQESW-RQJHMYQMSA-N 1 2 189.230 1.028 20 0 ADADLO CC(C)Cc1cc[nH+]cc1N 82408333 537881323 /nfs/dbraw/zinc/88/13/23/537881323.db2.gz MZOULLWTCHHAPA-UHFFFAOYSA-N 1 2 150.225 1.862 20 0 ADADLO Cc1ccc(N)c(-c2[nH]cc[nH+]2)c1 82529278 537885739 /nfs/dbraw/zinc/88/57/39/537885739.db2.gz SVHXAPUUGXSHQO-UHFFFAOYSA-N 1 2 173.219 1.967 20 0 ADADLO CC(=O)[C@H]([NH3+])c1cccs1 104670996 537953473 /nfs/dbraw/zinc/95/34/73/537953473.db2.gz XBHVNLKVXXJQSB-ZETCQYMHSA-N 1 2 155.222 1.337 20 0 ADADLO CC(=O)[C@@H]([NH3+])c1cccs1 104670998 537956069 /nfs/dbraw/zinc/95/60/69/537956069.db2.gz XBHVNLKVXXJQSB-SSDOTTSWSA-N 1 2 155.222 1.337 20 0 ADADLO COCCSc1nc(N)cc(C)[nH+]1 105977999 537958004 /nfs/dbraw/zinc/95/80/04/537958004.db2.gz MBPPPSLMUAFLMV-UHFFFAOYSA-N 1 2 199.279 1.106 20 0 ADADLO CCOC(=O)C(F)(F)C[NH2+]C(C)C 116834273 537971366 /nfs/dbraw/zinc/97/13/66/537971366.db2.gz LNKPHPQVHFEOFX-UHFFFAOYSA-N 1 2 195.209 1.183 20 0 ADADLO O=Cc1ccccc1-c1c[nH]c[nH+]1 116232280 537971610 /nfs/dbraw/zinc/97/16/10/537971610.db2.gz SPWHAVDNHPXXFD-UHFFFAOYSA-N 1 2 172.187 1.889 20 0 ADADLO Cn1cc[nH+]c1-c1cncc(C=O)c1 125034509 537978108 /nfs/dbraw/zinc/97/81/08/537978108.db2.gz MCIBXSPLYRDYMQ-UHFFFAOYSA-N 1 2 187.202 1.295 20 0 ADADLO CC[C@@H](Cn1cc[nH+]c1)OC 139220921 537990599 /nfs/dbraw/zinc/99/05/99/537990599.db2.gz VWDQCFCVMDBIRX-QMMMGPOBSA-N 1 2 154.213 1.308 20 0 ADADLO CC[C@H](Cn1cc[nH+]c1)OC 139220997 537990650 /nfs/dbraw/zinc/99/06/50/537990650.db2.gz VWDQCFCVMDBIRX-MRVPVSSYSA-N 1 2 154.213 1.308 20 0 ADADLO COCCOCCOc1cc[nH+]cc1 142091035 537994044 /nfs/dbraw/zinc/99/40/44/537994044.db2.gz WFTNPBDIMGCOAO-UHFFFAOYSA-N 1 2 197.234 1.123 20 0 ADADLO CC(C)COCCn1cc[nH+]c1 142621271 537994548 /nfs/dbraw/zinc/99/45/48/537994548.db2.gz RYLGPJGJLJXDTQ-UHFFFAOYSA-N 1 2 168.240 1.556 20 0 ADADLO Cn1cc[nH+]c1-c1ccncc1 145308221 537997847 /nfs/dbraw/zinc/99/78/47/537997847.db2.gz RBISACRMGBWDJS-UHFFFAOYSA-N 1 2 159.192 1.482 20 0 ADADLO Nc1c[nH+]ccc1[C@@H]1CCOC1 146950256 537998765 /nfs/dbraw/zinc/99/87/65/537998765.db2.gz BQZBEBBCPLWLKW-SSDOTTSWSA-N 1 2 164.208 1.168 20 0 ADADLO OCCCCNc1cccc[nH+]1 145378697 537999930 /nfs/dbraw/zinc/99/99/30/537999930.db2.gz HEPVBPBWWADWKF-UHFFFAOYSA-N 1 2 166.224 1.266 20 0 ADADLO OCCCCCNc1cccc[nH+]1 145384450 538000403 /nfs/dbraw/zinc/00/04/03/538000403.db2.gz XNHHZUZBVQBSFT-UHFFFAOYSA-N 1 2 180.251 1.656 20 0 ADADLO Nc1c[nH+]ccc1[C@H]1CCOC1 146950445 538001565 /nfs/dbraw/zinc/00/15/65/538001565.db2.gz BQZBEBBCPLWLKW-ZETCQYMHSA-N 1 2 164.208 1.168 20 0 ADADLO FCCCCn1cc[nH+]c1 144995181 538001835 /nfs/dbraw/zinc/00/18/35/538001835.db2.gz UHMGFJYTQVOJIE-UHFFFAOYSA-N 1 2 142.177 1.633 20 0 ADADLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)C1CC1 148027699 538004059 /nfs/dbraw/zinc/00/40/59/538004059.db2.gz IWSKKZQCOXCFHE-SSDOTTSWSA-N 1 2 193.250 1.072 20 0 ADADLO Oc1cccc(C[NH2+]CC(F)F)c1 147392973 538004199 /nfs/dbraw/zinc/00/41/99/538004199.db2.gz UVALHCSPBFQMFK-UHFFFAOYSA-N 1 2 187.189 1.747 20 0 ADADLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)C1CC1 148027454 538005494 /nfs/dbraw/zinc/00/54/94/538005494.db2.gz IWSKKZQCOXCFHE-ZETCQYMHSA-N 1 2 193.250 1.072 20 0 ADADLO Cc1ccnc(C[NH+]2CCOCC2)c1 147714437 538005655 /nfs/dbraw/zinc/00/56/55/538005655.db2.gz ZQESOGMUGVKUNW-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO CC(C)(C)OC(=O)[C@H]1C[C@H](F)C[NH2+]1 148861305 538007418 /nfs/dbraw/zinc/00/74/18/538007418.db2.gz JMORIDAQGDQESW-NKWVEPMBSA-N 1 2 189.230 1.028 20 0 ADADLO Clc1cncnc1-n1cc[nH+]c1 149485570 538007476 /nfs/dbraw/zinc/00/74/76/538007476.db2.gz METPQYSGVDNDLF-UHFFFAOYSA-N 1 2 180.598 1.316 20 0 ADADLO C[C@]1(O)CCC[N@H+](CC(F)F)C1 161010933 538055219 /nfs/dbraw/zinc/05/52/19/538055219.db2.gz MJRRPLVYOCWQMK-QMMMGPOBSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@]1(O)CCC[N@@H+](CC(F)F)C1 161010933 538055224 /nfs/dbraw/zinc/05/52/24/538055224.db2.gz MJRRPLVYOCWQMK-QMMMGPOBSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@@]1(O)CCC[N@H+](CC(F)F)C1 161011058 538056886 /nfs/dbraw/zinc/05/68/86/538056886.db2.gz MJRRPLVYOCWQMK-MRVPVSSYSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@@]1(O)CCC[N@@H+](CC(F)F)C1 161011058 538056889 /nfs/dbraw/zinc/05/68/89/538056889.db2.gz MJRRPLVYOCWQMK-MRVPVSSYSA-N 1 2 179.210 1.098 20 0 ADADLO CO[C@H](C)[C@@H](C)[NH2+]Cc1cn[nH]c1C 161761717 538064074 /nfs/dbraw/zinc/06/40/74/538064074.db2.gz QCOVYTFNESGOOW-VXNVDRBHSA-N 1 2 197.282 1.231 20 0 ADADLO CO[C@@H](C)[C@H](C)[NH2+]Cc1cn[nH]c1C 161761864 538064578 /nfs/dbraw/zinc/06/45/78/538064578.db2.gz QCOVYTFNESGOOW-CBAPKCEASA-N 1 2 197.282 1.231 20 0 ADADLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cn[nH]c1C 161762002 538065501 /nfs/dbraw/zinc/06/55/01/538065501.db2.gz QCOVYTFNESGOOW-APPZFPTMSA-N 1 2 197.282 1.231 20 0 ADADLO CO[C@H](C)[C@H](C)[NH2+]Cc1cn[nH]c1C 161761593 538066016 /nfs/dbraw/zinc/06/60/16/538066016.db2.gz QCOVYTFNESGOOW-IONNQARKSA-N 1 2 197.282 1.231 20 0 ADADLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)C1CC1 161944346 538066172 /nfs/dbraw/zinc/06/61/72/538066172.db2.gz NLFWVFBYCUFQHK-SSDOTTSWSA-N 1 2 193.250 1.072 20 0 ADADLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)C1CC1 161944346 538066175 /nfs/dbraw/zinc/06/61/75/538066175.db2.gz NLFWVFBYCUFQHK-SSDOTTSWSA-N 1 2 193.250 1.072 20 0 ADADLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)C1CC1 161944218 538067047 /nfs/dbraw/zinc/06/70/47/538067047.db2.gz NLFWVFBYCUFQHK-ZETCQYMHSA-N 1 2 193.250 1.072 20 0 ADADLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)C1CC1 161944218 538067051 /nfs/dbraw/zinc/06/70/51/538067051.db2.gz NLFWVFBYCUFQHK-ZETCQYMHSA-N 1 2 193.250 1.072 20 0 ADADLO c1cc(C[NH2+]Cc2csnn2)co1 162527392 538074947 /nfs/dbraw/zinc/07/49/47/538074947.db2.gz VTRLBEZLRZTGIM-UHFFFAOYSA-N 1 2 195.247 1.421 20 0 ADADLO C[N@H+](CC(F)F)CC1(O)CCCC1 162512339 538075312 /nfs/dbraw/zinc/07/53/12/538075312.db2.gz FCDROTNQBNLYCS-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO C[N@@H+](CC(F)F)CC1(O)CCCC1 162512339 538075315 /nfs/dbraw/zinc/07/53/15/538075315.db2.gz FCDROTNQBNLYCS-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO CCOC1CC([NH2+]Cc2ccn[nH]2)C1 162789150 538076695 /nfs/dbraw/zinc/07/66/95/538076695.db2.gz OEQKFVIJOAROQF-UHFFFAOYSA-N 1 2 195.266 1.067 20 0 ADADLO CCC(O)(CC)C[N@H+](C)CC(F)F 163008345 538076789 /nfs/dbraw/zinc/07/67/89/538076789.db2.gz BDKUDBVXTPTXIK-UHFFFAOYSA-N 1 2 195.253 1.734 20 0 ADADLO CCC(O)(CC)C[N@@H+](C)CC(F)F 163008345 538076790 /nfs/dbraw/zinc/07/67/90/538076790.db2.gz BDKUDBVXTPTXIK-UHFFFAOYSA-N 1 2 195.253 1.734 20 0 ADADLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(F)F 163392383 538082907 /nfs/dbraw/zinc/08/29/07/538082907.db2.gz AGWBEGGRHALOAC-WDSKDSINSA-N 1 2 179.210 1.001 20 0 ADADLO CC1(C)[C@@H](O)C[C@H]1[NH2+]CC(F)F 163392324 538133717 /nfs/dbraw/zinc/13/37/17/538133717.db2.gz AGWBEGGRHALOAC-RITPCOANSA-N 1 2 179.210 1.001 20 0 ADADLO CC1(C)[C@@H]([NH2+]CC(F)F)C[C@H]1O 163392584 538133825 /nfs/dbraw/zinc/13/38/25/538133825.db2.gz AGWBEGGRHALOAC-NTSWFWBYSA-N 1 2 179.210 1.001 20 0 ADADLO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(F)F 163392502 538134067 /nfs/dbraw/zinc/13/40/67/538134067.db2.gz AGWBEGGRHALOAC-PHDIDXHHSA-N 1 2 179.210 1.001 20 0 ADADLO CC[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 164498572 538143184 /nfs/dbraw/zinc/14/31/84/538143184.db2.gz HBBGOFQPHGQCMQ-QMMMGPOBSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 164499214 538143370 /nfs/dbraw/zinc/14/33/70/538143370.db2.gz SIBJOBGIHILMFE-MRVPVSSYSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 164499214 538143376 /nfs/dbraw/zinc/14/33/76/538143376.db2.gz SIBJOBGIHILMFE-MRVPVSSYSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 164499345 538144624 /nfs/dbraw/zinc/14/46/24/538144624.db2.gz SIBJOBGIHILMFE-QMMMGPOBSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 164499345 538144632 /nfs/dbraw/zinc/14/46/32/538144632.db2.gz SIBJOBGIHILMFE-QMMMGPOBSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 164498451 538145823 /nfs/dbraw/zinc/14/58/23/538145823.db2.gz HBBGOFQPHGQCMQ-MRVPVSSYSA-N 1 2 195.266 1.462 20 0 ADADLO CCC[C@@](C)(CO)[NH2+]Cc1ccn[nH]1 165525942 538152618 /nfs/dbraw/zinc/15/26/18/538152618.db2.gz CKGZANRHJDZLTA-JTQLQIEISA-N 1 2 197.282 1.050 20 0 ADADLO CCC[C@](C)(CO)[NH2+]Cc1ccn[nH]1 165526077 538154289 /nfs/dbraw/zinc/15/42/89/538154289.db2.gz CKGZANRHJDZLTA-SNVBAGLBSA-N 1 2 197.282 1.050 20 0 ADADLO CCOC(C)(C)C[NH2+]Cc1ccn[nH]1 166951005 538170525 /nfs/dbraw/zinc/17/05/25/538170525.db2.gz YCCWXMFIFUEOTL-UHFFFAOYSA-N 1 2 197.282 1.314 20 0 ADADLO C[C@@H](CO)CCCNc1cccc[nH+]1 230148100 538204561 /nfs/dbraw/zinc/20/45/61/538204561.db2.gz FPIZUYCMNGEIAG-SNVBAGLBSA-N 1 2 194.278 1.902 20 0 ADADLO C[C@H](CO)CCCNc1cccc[nH+]1 230148104 538204833 /nfs/dbraw/zinc/20/48/33/538204833.db2.gz FPIZUYCMNGEIAG-JTQLQIEISA-N 1 2 194.278 1.902 20 0 ADADLO c1ccc(NCC[C@H]2CCOC2)[nH+]c1 230104572 538204995 /nfs/dbraw/zinc/20/49/95/538204995.db2.gz HZRQJTNACGNAHN-JTQLQIEISA-N 1 2 192.262 1.920 20 0 ADADLO c1ccc(NCC[C@@H]2CCOC2)[nH+]c1 230104567 538205234 /nfs/dbraw/zinc/20/52/34/538205234.db2.gz HZRQJTNACGNAHN-SNVBAGLBSA-N 1 2 192.262 1.920 20 0 ADADLO C[C@@]1(O)CCC[N@H+](CC(F)F)CC1 230375241 538206708 /nfs/dbraw/zinc/20/67/08/538206708.db2.gz YEFNRIWXZBFOBP-SECBINFHSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@@]1(O)CCC[N@@H+](CC(F)F)CC1 230375241 538206715 /nfs/dbraw/zinc/20/67/15/538206715.db2.gz YEFNRIWXZBFOBP-SECBINFHSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@]1(O)CCC[N@H+](CC(F)F)CC1 230375245 538207577 /nfs/dbraw/zinc/20/75/77/538207577.db2.gz YEFNRIWXZBFOBP-VIFPVBQESA-N 1 2 193.237 1.488 20 0 ADADLO C[C@]1(O)CCC[N@@H+](CC(F)F)CC1 230375245 538207582 /nfs/dbraw/zinc/20/75/82/538207582.db2.gz YEFNRIWXZBFOBP-VIFPVBQESA-N 1 2 193.237 1.488 20 0 ADADLO CC(C)=CC[NH2+]Cc1ccn[nH]1 232614565 538228135 /nfs/dbraw/zinc/22/81/35/538228135.db2.gz KSECNVXKGMYUFH-UHFFFAOYSA-N 1 2 165.240 1.466 20 0 ADADLO OCC(F)(F)CNc1cccc[nH+]1 231780442 538222100 /nfs/dbraw/zinc/22/21/00/538222100.db2.gz NUWXXTHXJZCOJK-UHFFFAOYSA-N 1 2 188.177 1.121 20 0 ADADLO CCc1[nH+]c(C)ccc1OCCO 232204050 538224000 /nfs/dbraw/zinc/22/40/00/538224000.db2.gz RJRLEZQXBFTANB-UHFFFAOYSA-N 1 2 181.235 1.324 20 0 ADADLO CCc1[nH+]c(C)ccc1OCCCO 232204052 538224902 /nfs/dbraw/zinc/22/49/02/538224902.db2.gz MKVYKXBMZLDDPH-UHFFFAOYSA-N 1 2 195.262 1.714 20 0 ADADLO CC(C)=CC[NH2+]Cc1csnn1 232619511 538226552 /nfs/dbraw/zinc/22/65/52/538226552.db2.gz GZLQEQUWENVLST-UHFFFAOYSA-N 1 2 183.280 1.594 20 0 ADADLO CC(C)=CC[NH2+]Cc1cn[nH]c1C 232613244 538227973 /nfs/dbraw/zinc/22/79/73/538227973.db2.gz PBEMPFPLMVKXJS-UHFFFAOYSA-N 1 2 179.267 1.774 20 0 ADADLO CCc1cc(NCCCCO)nc[nH+]1 234139111 538237535 /nfs/dbraw/zinc/23/75/35/538237535.db2.gz QMFXQSJXKDNZBY-UHFFFAOYSA-N 1 2 195.266 1.223 20 0 ADADLO Cc1cc(NC(=O)C(C)(C)O)cc[nH+]1 235744894 538245759 /nfs/dbraw/zinc/24/57/59/538245759.db2.gz ZDGLHWDZTBHJOE-UHFFFAOYSA-N 1 2 194.234 1.099 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)O 235819959 538248058 /nfs/dbraw/zinc/24/80/58/538248058.db2.gz UEMHTZBRFUXDID-UHFFFAOYSA-N 1 2 194.234 1.099 20 0 ADADLO Cc1cnc(C[NH2+]Cc2ccoc2)o1 235957526 538248552 /nfs/dbraw/zinc/24/85/52/538248552.db2.gz POLPUOMZUSBQKO-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO C[N@H+](CC(F)F)C[C@H]1CCC[C@H]1O 252703222 538270609 /nfs/dbraw/zinc/27/06/09/538270609.db2.gz KYVVFOAKDOKZDV-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO C[N@@H+](CC(F)F)C[C@H]1CCC[C@H]1O 252703222 538270611 /nfs/dbraw/zinc/27/06/11/538270611.db2.gz KYVVFOAKDOKZDV-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO C[N@H+](CC(F)F)C[C@@H]1CCC[C@H]1O 252703224 538272481 /nfs/dbraw/zinc/27/24/81/538272481.db2.gz KYVVFOAKDOKZDV-JGVFFNPUSA-N 1 2 193.237 1.344 20 0 ADADLO C[N@@H+](CC(F)F)C[C@@H]1CCC[C@H]1O 252703224 538272485 /nfs/dbraw/zinc/27/24/85/538272485.db2.gz KYVVFOAKDOKZDV-JGVFFNPUSA-N 1 2 193.237 1.344 20 0 ADADLO OCC1(CNc2cccc[nH+]2)CCC1 258949440 538289836 /nfs/dbraw/zinc/28/98/36/538289836.db2.gz JJVDEXBUMGEYGC-UHFFFAOYSA-N 1 2 192.262 1.656 20 0 ADADLO CC(C)[C@H](CO)CNc1cccc[nH+]1 258907307 538291120 /nfs/dbraw/zinc/29/11/20/538291120.db2.gz FLLDCLJFBNVUSK-JTQLQIEISA-N 1 2 194.278 1.758 20 0 ADADLO CC(C)[C@@H](CO)CNc1cccc[nH+]1 258907311 538291412 /nfs/dbraw/zinc/29/14/12/538291412.db2.gz FLLDCLJFBNVUSK-SNVBAGLBSA-N 1 2 194.278 1.758 20 0 ADADLO Cc1ncccc1Cn1cc[nH+]c1 306243329 538301216 /nfs/dbraw/zinc/30/12/16/538301216.db2.gz OEHXWWPWMTVZOE-UHFFFAOYSA-N 1 2 173.219 1.635 20 0 ADADLO C[C@H]1CC[N@H+](CC(F)(F)CN)[C@H]1C 306901338 538310763 /nfs/dbraw/zinc/31/07/63/538310763.db2.gz NUYPBGUNDFIKOH-YUMQZZPRSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1CC[N@@H+](CC(F)(F)CN)[C@H]1C 306901338 538310768 /nfs/dbraw/zinc/31/07/68/538310768.db2.gz NUYPBGUNDFIKOH-YUMQZZPRSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@@H]1CC[N@H+](CC(F)(F)CN)[C@@H]1C 306901335 538310886 /nfs/dbraw/zinc/31/08/86/538310886.db2.gz NUYPBGUNDFIKOH-HTQZYQBOSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@@H]1CC[N@@H+](CC(F)(F)CN)[C@@H]1C 306901335 538310890 /nfs/dbraw/zinc/31/08/90/538310890.db2.gz NUYPBGUNDFIKOH-HTQZYQBOSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1CC[N@H+](CC(F)(F)CN)[C@@H]1C 306901336 538311455 /nfs/dbraw/zinc/31/14/55/538311455.db2.gz NUYPBGUNDFIKOH-JGVFFNPUSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1CC[N@@H+](CC(F)(F)CN)[C@@H]1C 306901336 538311457 /nfs/dbraw/zinc/31/14/57/538311457.db2.gz NUYPBGUNDFIKOH-JGVFFNPUSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1[C@H](C)CC[N@@H+]1CC(F)(F)CN 306901337 538311739 /nfs/dbraw/zinc/31/17/39/538311739.db2.gz NUYPBGUNDFIKOH-SFYZADRCSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1[C@H](C)CC[N@H+]1CC(F)(F)CN 306901337 538311743 /nfs/dbraw/zinc/31/17/43/538311743.db2.gz NUYPBGUNDFIKOH-SFYZADRCSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1C[NH+](CC(F)(F)CN)C[C@@H]1C 307485823 538316985 /nfs/dbraw/zinc/31/69/85/538316985.db2.gz BGSZWFZIRMPUDU-YUMQZZPRSA-N 1 2 192.253 1.168 20 0 ADADLO C[C@@H]1C[NH+](CC(F)(F)CN)C[C@H]1C 307485821 538317282 /nfs/dbraw/zinc/31/72/82/538317282.db2.gz BGSZWFZIRMPUDU-HTQZYQBOSA-N 1 2 192.253 1.168 20 0 ADADLO C[C@@H]1C[N@@H+](CC(F)(F)CN)C[C@@H]1C 307485822 538317383 /nfs/dbraw/zinc/31/73/83/538317383.db2.gz BGSZWFZIRMPUDU-OCAPTIKFSA-N 1 2 192.253 1.168 20 0 ADADLO C[C@@H]1C[N@H+](CC(F)(F)CN)C[C@@H]1C 307485822 538317389 /nfs/dbraw/zinc/31/73/89/538317389.db2.gz BGSZWFZIRMPUDU-OCAPTIKFSA-N 1 2 192.253 1.168 20 0 ADADLO C[C@@H](c1noc(C[NH+](C)C)n1)C1CC1 350657343 538329739 /nfs/dbraw/zinc/32/97/39/538329739.db2.gz JDYFZRBLADQFHJ-SSDOTTSWSA-N 1 2 195.266 1.645 20 0 ADADLO C[C@H](c1noc(C[NH+](C)C)n1)C1CC1 350657344 538330868 /nfs/dbraw/zinc/33/08/68/538330868.db2.gz JDYFZRBLADQFHJ-ZETCQYMHSA-N 1 2 195.266 1.645 20 0 ADADLO C[NH+](C)Cc1nc(CC(C)(C)C)no1 350644952 538330880 /nfs/dbraw/zinc/33/08/80/538330880.db2.gz PPCSSBZXZMMFIH-UHFFFAOYSA-N 1 2 197.282 1.720 20 0 ADADLO COC(C)(C)c1noc(C[NH+](C)C)n1 350472155 538331226 /nfs/dbraw/zinc/33/12/26/538331226.db2.gz CVZZOMSSCXRIJK-UHFFFAOYSA-N 1 2 199.254 1.013 20 0 ADADLO C[NH+](C)Cc1nc(CC2CCC2)no1 349770209 538331649 /nfs/dbraw/zinc/33/16/49/538331649.db2.gz DAMUTEYMWAVAGO-UHFFFAOYSA-N 1 2 195.266 1.474 20 0 ADADLO C[NH+](C)Cc1nc(CCC2CC2)no1 350655977 538331846 /nfs/dbraw/zinc/33/18/46/538331846.db2.gz GBJGLUFIIWUTPD-UHFFFAOYSA-N 1 2 195.266 1.474 20 0 ADADLO Cc1nc(C[NH2+][C@H](C)CF)cs1 379313776 538338216 /nfs/dbraw/zinc/33/82/16/538338216.db2.gz JUDINFIDRUWXOE-ZCFIWIBFSA-N 1 2 188.271 1.899 20 0 ADADLO Cc1cn[nH]c1C[NH2+][C@H](C)CF 379315240 538339990 /nfs/dbraw/zinc/33/99/90/538339990.db2.gz RREOXNRCMXWFPQ-SSDOTTSWSA-N 1 2 171.219 1.166 20 0 ADADLO Cc1c[nH]nc1C[NH2+][C@H](C)CF 379315240 538339994 /nfs/dbraw/zinc/33/99/94/538339994.db2.gz RREOXNRCMXWFPQ-SSDOTTSWSA-N 1 2 171.219 1.166 20 0 ADADLO c1c[nH+]c(COCC2CCC2)[nH]1 379319085 538340335 /nfs/dbraw/zinc/34/03/35/538340335.db2.gz OMQYGOHGBWNMON-UHFFFAOYSA-N 1 2 166.224 1.726 20 0 ADADLO C[C@@H]([NH2+]CCF)c1nccn1C 379325228 538344512 /nfs/dbraw/zinc/34/45/12/538344512.db2.gz BKMFEFPTKUCJNK-SSDOTTSWSA-N 1 2 171.219 1.040 20 0 ADADLO C[C@H]([NH2+]CCF)c1nccn1C 379325229 538345656 /nfs/dbraw/zinc/34/56/56/538345656.db2.gz BKMFEFPTKUCJNK-ZETCQYMHSA-N 1 2 171.219 1.040 20 0 ADADLO CC[NH+](CC)Cc1cn[nH]c1C 379326666 538347235 /nfs/dbraw/zinc/34/72/35/538347235.db2.gz AIBHXFWZFZHBEG-UHFFFAOYSA-N 1 2 167.256 1.560 20 0 ADADLO C[N@H+](CC(F)F)C[C@H]1CCSC1 379327721 538348996 /nfs/dbraw/zinc/34/89/96/538348996.db2.gz MAJSMRRWEZAMMA-SSDOTTSWSA-N 1 2 195.278 1.936 20 0 ADADLO C[N@@H+](CC(F)F)C[C@H]1CCSC1 379327721 538349003 /nfs/dbraw/zinc/34/90/03/538349003.db2.gz MAJSMRRWEZAMMA-SSDOTTSWSA-N 1 2 195.278 1.936 20 0 ADADLO C[N@H+](CC(F)F)C[C@@H]1CCSC1 379327722 538349254 /nfs/dbraw/zinc/34/92/54/538349254.db2.gz MAJSMRRWEZAMMA-ZETCQYMHSA-N 1 2 195.278 1.936 20 0 ADADLO C[N@@H+](CC(F)F)C[C@@H]1CCSC1 379327722 538349259 /nfs/dbraw/zinc/34/92/59/538349259.db2.gz MAJSMRRWEZAMMA-ZETCQYMHSA-N 1 2 195.278 1.936 20 0 ADADLO CO[C@H]1C[C@@H]([N@H+](C)CC(F)F)C1 379331500 538350584 /nfs/dbraw/zinc/35/05/84/538350584.db2.gz DIURXIHQYYYRSZ-KNVOCYPGSA-N 1 2 179.210 1.361 20 0 ADADLO CO[C@H]1C[C@@H]([N@@H+](C)CC(F)F)C1 379331500 538350590 /nfs/dbraw/zinc/35/05/90/538350590.db2.gz DIURXIHQYYYRSZ-KNVOCYPGSA-N 1 2 179.210 1.361 20 0 ADADLO OCC[C@H]1CCC[N@@H+]1CC(F)F 379337345 538353158 /nfs/dbraw/zinc/35/31/58/538353158.db2.gz WQWBUJHRPIAUBJ-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO OCC[C@H]1CCC[N@H+]1CC(F)F 379337345 538353163 /nfs/dbraw/zinc/35/31/63/538353163.db2.gz WQWBUJHRPIAUBJ-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO OCC[C@@H]1CCC[N@@H+]1CC(F)F 379337346 538353812 /nfs/dbraw/zinc/35/38/12/538353812.db2.gz WQWBUJHRPIAUBJ-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO OCC[C@@H]1CCC[N@H+]1CC(F)F 379337346 538353818 /nfs/dbraw/zinc/35/38/18/538353818.db2.gz WQWBUJHRPIAUBJ-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO FCCCCOCc1[nH]cc[nH+]1 379335050 538354888 /nfs/dbraw/zinc/35/48/88/538354888.db2.gz NRSYHQSTYRIFNS-UHFFFAOYSA-N 1 2 172.203 1.676 20 0 ADADLO CCCC[N@H+](C)Cc1nnc[nH]1 379339213 538357306 /nfs/dbraw/zinc/35/73/06/538357306.db2.gz ZBFDBZFHRUHIOL-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CCCC[N@@H+](C)Cc1nnc[nH]1 379339213 538357309 /nfs/dbraw/zinc/35/73/09/538357309.db2.gz ZBFDBZFHRUHIOL-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO FC(F)(F)CCOCc1[nH]cc[nH+]1 379355559 538361274 /nfs/dbraw/zinc/36/12/74/538361274.db2.gz LTGLWJQACGGKEU-UHFFFAOYSA-N 1 2 194.156 1.879 20 0 ADADLO OCCCCC[N@@H+]1CCC(F)(F)C1 379365103 538366102 /nfs/dbraw/zinc/36/61/02/538366102.db2.gz OHGPPEYLCNQJMI-UHFFFAOYSA-N 1 2 193.237 1.490 20 0 ADADLO OCCCCC[N@H+]1CCC(F)(F)C1 379365103 538366106 /nfs/dbraw/zinc/36/61/06/538366106.db2.gz OHGPPEYLCNQJMI-UHFFFAOYSA-N 1 2 193.237 1.490 20 0 ADADLO C[C@H]1C[C@@H]1C[N@H+](CCO)CC(F)F 379379064 538372900 /nfs/dbraw/zinc/37/29/00/538372900.db2.gz ARHOEXLJRHOZGF-JGVFFNPUSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@H]1C[C@@H]1C[N@@H+](CCO)CC(F)F 379379064 538372901 /nfs/dbraw/zinc/37/29/01/538372901.db2.gz ARHOEXLJRHOZGF-JGVFFNPUSA-N 1 2 193.237 1.202 20 0 ADADLO c1c[nH]c(SCCn2cc[nH+]c2)n1 379380223 538372908 /nfs/dbraw/zinc/37/29/08/538372908.db2.gz BSXGLCLNDXNUJR-UHFFFAOYSA-N 1 2 194.263 1.399 20 0 ADADLO C[C@H]1C[C@H]1C[N@H+](CCO)CC(F)F 379379067 538372953 /nfs/dbraw/zinc/37/29/53/538372953.db2.gz ARHOEXLJRHOZGF-YUMQZZPRSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@H]1C[C@H]1C[N@@H+](CCO)CC(F)F 379379067 538372956 /nfs/dbraw/zinc/37/29/56/538372956.db2.gz ARHOEXLJRHOZGF-YUMQZZPRSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@@H]1C[C@@H]1C[N@H+](CCO)CC(F)F 379379061 538372986 /nfs/dbraw/zinc/37/29/86/538372986.db2.gz ARHOEXLJRHOZGF-HTQZYQBOSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@@H]1C[C@@H]1C[N@@H+](CCO)CC(F)F 379379061 538372988 /nfs/dbraw/zinc/37/29/88/538372988.db2.gz ARHOEXLJRHOZGF-HTQZYQBOSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@@H]1C[C@H]1C[N@H+](CCO)CC(F)F 379379066 538373520 /nfs/dbraw/zinc/37/35/20/538373520.db2.gz ARHOEXLJRHOZGF-SFYZADRCSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@@H]1C[C@H]1C[N@@H+](CCO)CC(F)F 379379066 538373529 /nfs/dbraw/zinc/37/35/29/538373529.db2.gz ARHOEXLJRHOZGF-SFYZADRCSA-N 1 2 193.237 1.202 20 0 ADADLO CC(C)(O)CCOCc1[nH]cc[nH+]1 379380144 538374667 /nfs/dbraw/zinc/37/46/67/538374667.db2.gz DCZNCCSPMGMXLE-UHFFFAOYSA-N 1 2 184.239 1.087 20 0 ADADLO CCn1ccnc1C[NH2+][C@H](C)CF 379388229 538383088 /nfs/dbraw/zinc/38/30/88/538383088.db2.gz JCGQTBRXEWNBPX-MRVPVSSYSA-N 1 2 185.246 1.351 20 0 ADADLO COCCCCOCc1[nH]cc[nH+]1 379385488 538383300 /nfs/dbraw/zinc/38/33/00/538383300.db2.gz TWQUEIUPLMOHAJ-UHFFFAOYSA-N 1 2 184.239 1.353 20 0 ADADLO CC1(C[N@H+](CCO)CC(F)F)CC1 379388281 538383569 /nfs/dbraw/zinc/38/35/69/538383569.db2.gz JELGAFNNYGBSJB-UHFFFAOYSA-N 1 2 193.237 1.346 20 0 ADADLO CC1(C[N@@H+](CCO)CC(F)F)CC1 379388281 538383572 /nfs/dbraw/zinc/38/35/72/538383572.db2.gz JELGAFNNYGBSJB-UHFFFAOYSA-N 1 2 193.237 1.346 20 0 ADADLO CCC[NH+](CCC)Cc1cn[nH]n1 379393870 538387860 /nfs/dbraw/zinc/38/78/60/538387860.db2.gz VVHHQDDADNKGFG-UHFFFAOYSA-N 1 2 182.271 1.427 20 0 ADADLO CCCC[N@H+](C)Cc1cn[nH]c1C 379398481 538390188 /nfs/dbraw/zinc/39/01/88/538390188.db2.gz URZCGGFRLJLBRN-UHFFFAOYSA-N 1 2 181.283 1.950 20 0 ADADLO CCCC[N@@H+](C)Cc1cn[nH]c1C 379398481 538390197 /nfs/dbraw/zinc/39/01/97/538390197.db2.gz URZCGGFRLJLBRN-UHFFFAOYSA-N 1 2 181.283 1.950 20 0 ADADLO CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH]nn1 379401296 538391665 /nfs/dbraw/zinc/39/16/65/538391665.db2.gz KNBNNMPPOPPLQW-SFYZADRCSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@@H](C)[C@H](C)[NH2+]Cc1cn[nH]n1 379401296 538391672 /nfs/dbraw/zinc/39/16/72/538391672.db2.gz KNBNNMPPOPPLQW-SFYZADRCSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH]nn1 379401294 538392721 /nfs/dbraw/zinc/39/27/21/538392721.db2.gz KNBNNMPPOPPLQW-HTQZYQBOSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cn[nH]n1 379401294 538392725 /nfs/dbraw/zinc/39/27/25/538392725.db2.gz KNBNNMPPOPPLQW-HTQZYQBOSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH]nn1 379401297 538393907 /nfs/dbraw/zinc/39/39/07/538393907.db2.gz KNBNNMPPOPPLQW-YUMQZZPRSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@H](C)[C@H](C)[NH2+]Cc1cn[nH]n1 379401297 538393910 /nfs/dbraw/zinc/39/39/10/538393910.db2.gz KNBNNMPPOPPLQW-YUMQZZPRSA-N 1 2 182.271 1.329 20 0 ADADLO CCc1nnc(C[N@H+](C)C2CC2)s1 379401775 538394972 /nfs/dbraw/zinc/39/49/72/538394972.db2.gz LMWDZLGLRKAUGQ-UHFFFAOYSA-N 1 2 197.307 1.695 20 0 ADADLO CCc1nnc(C[N@@H+](C)C2CC2)s1 379401775 538394981 /nfs/dbraw/zinc/39/49/81/538394981.db2.gz LMWDZLGLRKAUGQ-UHFFFAOYSA-N 1 2 197.307 1.695 20 0 ADADLO CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH]nn1 379401295 538395099 /nfs/dbraw/zinc/39/50/99/538395099.db2.gz KNBNNMPPOPPLQW-JGVFFNPUSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@H](C)[C@@H](C)[NH2+]Cc1cn[nH]n1 379401295 538395102 /nfs/dbraw/zinc/39/51/02/538395102.db2.gz KNBNNMPPOPPLQW-JGVFFNPUSA-N 1 2 182.271 1.329 20 0 ADADLO CC(C)CC[C@H](O)Cn1cc[nH+]c1 379404957 538395766 /nfs/dbraw/zinc/39/57/66/538395766.db2.gz SEVVSXFOHNDKTH-JTQLQIEISA-N 1 2 182.267 1.680 20 0 ADADLO CC(C)CC[C@@H](O)Cn1cc[nH+]c1 379404958 538397095 /nfs/dbraw/zinc/39/70/95/538397095.db2.gz SEVVSXFOHNDKTH-SNVBAGLBSA-N 1 2 182.267 1.680 20 0 ADADLO CCOC1CC(Cn2cc[nH+]c2)C1 379405646 538398052 /nfs/dbraw/zinc/39/80/52/538398052.db2.gz UOAPUIILYSPNCA-UHFFFAOYSA-N 1 2 180.251 1.698 20 0 ADADLO CC[C@H](O)C[N@H+](CC(F)F)C(C)C 379410819 538403654 /nfs/dbraw/zinc/40/36/54/538403654.db2.gz GXNQKXAYYDXTPD-QMMMGPOBSA-N 1 2 195.253 1.733 20 0 ADADLO CC[C@H](O)C[N@@H+](CC(F)F)C(C)C 379410819 538403659 /nfs/dbraw/zinc/40/36/59/538403659.db2.gz GXNQKXAYYDXTPD-QMMMGPOBSA-N 1 2 195.253 1.733 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)CC1(C)CC1 379411134 538403860 /nfs/dbraw/zinc/40/38/60/538403860.db2.gz HNWVQLFHGQEZBE-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)CC1(C)CC1 379411134 538403862 /nfs/dbraw/zinc/40/38/62/538403862.db2.gz HNWVQLFHGQEZBE-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@H+](CC(F)F)[C@H](CO)C(C)(C)C 379412400 538406221 /nfs/dbraw/zinc/40/62/21/538406221.db2.gz KBTROTWJCVGBME-SSDOTTSWSA-N 1 2 195.253 1.590 20 0 ADADLO C[N@@H+](CC(F)F)[C@H](CO)C(C)(C)C 379412400 538406222 /nfs/dbraw/zinc/40/62/22/538406222.db2.gz KBTROTWJCVGBME-SSDOTTSWSA-N 1 2 195.253 1.590 20 0 ADADLO C[N@H+](CC(F)F)[C@@H](CO)C(C)(C)C 379412401 538406640 /nfs/dbraw/zinc/40/66/40/538406640.db2.gz KBTROTWJCVGBME-ZETCQYMHSA-N 1 2 195.253 1.590 20 0 ADADLO C[N@@H+](CC(F)F)[C@@H](CO)C(C)(C)C 379412401 538406644 /nfs/dbraw/zinc/40/66/44/538406644.db2.gz KBTROTWJCVGBME-ZETCQYMHSA-N 1 2 195.253 1.590 20 0 ADADLO C[N@H+](Cc1cscn1)C1(CO)CC1 379416069 538408138 /nfs/dbraw/zinc/40/81/38/538408138.db2.gz QWVVQOVMVSBBSW-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO C[N@@H+](Cc1cscn1)C1(CO)CC1 379416069 538408139 /nfs/dbraw/zinc/40/81/39/538408139.db2.gz QWVVQOVMVSBBSW-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO Cc1cn[nH]c1C[NH2+]Cc1ccco1 379540351 538413541 /nfs/dbraw/zinc/41/35/41/538413541.db2.gz ORJXSYNSMODIRO-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO Cc1c[nH]nc1C[NH2+]Cc1ccco1 379540351 538413543 /nfs/dbraw/zinc/41/35/43/538413543.db2.gz ORJXSYNSMODIRO-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO Cc1cn[nH]c1C[NH2+]Cc1ccoc1 379574756 538415898 /nfs/dbraw/zinc/41/58/98/538415898.db2.gz KWEBVWIVTQRNBB-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO Cc1c[nH]nc1C[NH2+]Cc1ccoc1 379574756 538415901 /nfs/dbraw/zinc/41/59/01/538415901.db2.gz KWEBVWIVTQRNBB-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO Cc1occc1C[NH2+]Cc1cocn1 379571590 538416408 /nfs/dbraw/zinc/41/64/08/538416408.db2.gz FLKWDPVFYLKTKU-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO COCC1([NH2+]Cc2ccn[nH]2)CCC1 379590361 538418297 /nfs/dbraw/zinc/41/82/97/538418297.db2.gz WFEJLLVPSDOMMP-UHFFFAOYSA-N 1 2 195.266 1.068 20 0 ADADLO CCCn1ncnc1C[NH+](CC)CC 379582893 538419181 /nfs/dbraw/zinc/41/91/81/538419181.db2.gz MLYRLANZALEDJR-UHFFFAOYSA-N 1 2 196.298 1.530 20 0 ADADLO CC(C)=CC[NH2+][C@H](C)c1nnc(C)o1 379662270 538427055 /nfs/dbraw/zinc/42/70/55/538427055.db2.gz RFWSWDKWRHSHDT-MRVPVSSYSA-N 1 2 195.266 1.995 20 0 ADADLO CC[C@H](CNc1cc[nH+]c(C)n1)OC 379633520 538424759 /nfs/dbraw/zinc/42/47/59/538424759.db2.gz PSOYUCCWCILLHP-SECBINFHSA-N 1 2 195.266 1.044 20 0 ADADLO CC[C@@H](CNc1cc[nH+]c(C)n1)OC 379633521 538424800 /nfs/dbraw/zinc/42/48/00/538424800.db2.gz PSOYUCCWCILLHP-VIFPVBQESA-N 1 2 195.266 1.044 20 0 ADADLO CC[C@H](C[NH2+]Cc1cn[nH]c1C)OC 379628359 538425020 /nfs/dbraw/zinc/42/50/20/538425020.db2.gz LMYUWFLZXQWKSQ-SNVBAGLBSA-N 1 2 197.282 1.233 20 0 ADADLO CC[C@@H](C[NH2+]Cc1cn[nH]c1C)OC 379628358 538425351 /nfs/dbraw/zinc/42/53/51/538425351.db2.gz LMYUWFLZXQWKSQ-JTQLQIEISA-N 1 2 197.282 1.233 20 0 ADADLO CC(C)=CC[NH2+][C@@H](C)c1ncn(C)n1 379653650 538425831 /nfs/dbraw/zinc/42/58/31/538425831.db2.gz IFRFHNVMOKQLLN-VIFPVBQESA-N 1 2 194.282 1.432 20 0 ADADLO CC(C)=CC[NH2+][C@H](C)c1ncn(C)n1 379653649 538426289 /nfs/dbraw/zinc/42/62/89/538426289.db2.gz IFRFHNVMOKQLLN-SECBINFHSA-N 1 2 194.282 1.432 20 0 ADADLO CC(C)=CC[NH2+][C@@H](C)c1nc(C)no1 379660779 538426812 /nfs/dbraw/zinc/42/68/12/538426812.db2.gz PMLKDFWVXXVULA-QMMMGPOBSA-N 1 2 195.266 1.995 20 0 ADADLO CC(C)=CC[NH2+][C@@H](C)c1nnc(C)o1 379662271 538426824 /nfs/dbraw/zinc/42/68/24/538426824.db2.gz RFWSWDKWRHSHDT-QMMMGPOBSA-N 1 2 195.266 1.995 20 0 ADADLO CC(C)=CC[NH2+][C@H](C)c1nc(C)no1 379660776 538427101 /nfs/dbraw/zinc/42/71/01/538427101.db2.gz PMLKDFWVXXVULA-MRVPVSSYSA-N 1 2 195.266 1.995 20 0 ADADLO CCCCOCc1[nH]cc[nH+]1 388105001 538429834 /nfs/dbraw/zinc/42/98/34/538429834.db2.gz WDGZXPMCHIXIEU-UHFFFAOYSA-N 1 2 154.213 1.726 20 0 ADADLO CCOC[C@@H]1CC[N@H+](CC(F)F)C1 388294468 538430961 /nfs/dbraw/zinc/43/09/61/538430961.db2.gz YZOZRFNSLKUVEN-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO CCOC[C@@H]1CC[N@@H+](CC(F)F)C1 388294468 538430962 /nfs/dbraw/zinc/43/09/62/538430962.db2.gz YZOZRFNSLKUVEN-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO CC[N@H+](Cc1nnc(C)s1)C1CC1 388270517 538429961 /nfs/dbraw/zinc/42/99/61/538429961.db2.gz FVDFESJCNJLONJ-UHFFFAOYSA-N 1 2 197.307 1.831 20 0 ADADLO CC[N@@H+](Cc1nnc(C)s1)C1CC1 388270517 538429963 /nfs/dbraw/zinc/42/99/63/538429963.db2.gz FVDFESJCNJLONJ-UHFFFAOYSA-N 1 2 197.307 1.831 20 0 ADADLO CC[NH+](CC)[C@@H](C)c1noc(C)n1 388260390 538430052 /nfs/dbraw/zinc/43/00/52/538430052.db2.gz BETWMNQQKULTAH-ZETCQYMHSA-N 1 2 183.255 1.781 20 0 ADADLO CCOCCNc1cc[nH+]cc1F 388249463 538430239 /nfs/dbraw/zinc/43/02/39/538430239.db2.gz 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538434486 /nfs/dbraw/zinc/43/44/86/538434486.db2.gz DKBHNYMBZCGJMS-QMMMGPOBSA-N 1 2 182.271 1.281 20 0 ADADLO CC(C)[C@@H](C)[N@H+](C)Cc1nnc[nH]1 388597915 538434800 /nfs/dbraw/zinc/43/48/00/538434800.db2.gz DKBHNYMBZCGJMS-MRVPVSSYSA-N 1 2 182.271 1.281 20 0 ADADLO CC(C)[C@@H](C)[N@@H+](C)Cc1nnc[nH]1 388597915 538434801 /nfs/dbraw/zinc/43/48/01/538434801.db2.gz DKBHNYMBZCGJMS-MRVPVSSYSA-N 1 2 182.271 1.281 20 0 ADADLO CCC[C@H](C)[N@H+](C)Cc1nnc[nH]1 388659622 538435455 /nfs/dbraw/zinc/43/54/55/538435455.db2.gz VAPNSZKPYDWMSA-QMMMGPOBSA-N 1 2 182.271 1.425 20 0 ADADLO CCC[C@H](C)[N@@H+](C)Cc1nnc[nH]1 388659622 538435456 /nfs/dbraw/zinc/43/54/56/538435456.db2.gz VAPNSZKPYDWMSA-QMMMGPOBSA-N 1 2 182.271 1.425 20 0 ADADLO CCC[C@@H](C)[N@H+](C)Cc1nnc[nH]1 388659621 538435906 /nfs/dbraw/zinc/43/59/06/538435906.db2.gz VAPNSZKPYDWMSA-MRVPVSSYSA-N 1 2 182.271 1.425 20 0 ADADLO CCC[C@@H](C)[N@@H+](C)Cc1nnc[nH]1 388659621 538435907 /nfs/dbraw/zinc/43/59/07/538435907.db2.gz 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/nfs/dbraw/zinc/43/85/68/538438568.db2.gz BSQUNLJRLJKTBP-BQBZGAKWSA-N 1 2 199.254 1.064 20 0 ADADLO COC[C@@H](C)[NH2+][C@@H](C)c1noc(C)n1 389198197 538438762 /nfs/dbraw/zinc/43/87/62/538438762.db2.gz BSQUNLJRLJKTBP-RQJHMYQMSA-N 1 2 199.254 1.064 20 0 ADADLO CC[C@H](C)[C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 392361034 538440855 /nfs/dbraw/zinc/44/08/55/538440855.db2.gz BHXXZIDXBBMQDF-BQBZGAKWSA-N 1 2 198.270 1.035 20 0 ADADLO CC[C@H](C)[C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 392361035 538441126 /nfs/dbraw/zinc/44/11/26/538441126.db2.gz BHXXZIDXBBMQDF-NKWVEPMBSA-N 1 2 198.270 1.035 20 0 ADADLO CC[C@@H](C)[C@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 392361038 538441323 /nfs/dbraw/zinc/44/13/23/538441323.db2.gz BHXXZIDXBBMQDF-RQJHMYQMSA-N 1 2 198.270 1.035 20 0 ADADLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1n[nH]c(=O)[nH]1 392361036 538441345 /nfs/dbraw/zinc/44/13/45/538441345.db2.gz BHXXZIDXBBMQDF-RNFRBKRXSA-N 1 2 198.270 1.035 20 0 ADADLO CC[C@@H]1C[NH+](CCF)C[C@@H](CC)O1 675055084 538448498 /nfs/dbraw/zinc/44/84/98/538448498.db2.gz MWQSVGGAEXNKNK-NXEZZACHSA-N 1 2 189.274 1.845 20 0 ADADLO CC[C@H]1C[N@H+](CCF)C[C@@H](CC)O1 675055077 538448569 /nfs/dbraw/zinc/44/85/69/538448569.db2.gz MWQSVGGAEXNKNK-AOOOYVTPSA-N 1 2 189.274 1.845 20 0 ADADLO CC[C@H]1C[N@@H+](CCF)C[C@@H](CC)O1 675055077 538448570 /nfs/dbraw/zinc/44/85/70/538448570.db2.gz MWQSVGGAEXNKNK-AOOOYVTPSA-N 1 2 189.274 1.845 20 0 ADADLO NCC(F)(F)C[NH+]1CCCCCC1 164941015 541312145 /nfs/dbraw/zinc/31/21/45/541312145.db2.gz NTQOYLAKGIQQLW-UHFFFAOYSA-N 1 2 192.253 1.456 20 0 ADADLO c1cn(CCO[C@H]2CCCCO2)c[nH+]1 202794170 541315201 /nfs/dbraw/zinc/31/52/01/541315201.db2.gz GPFPQTXNAXILAD-JTQLQIEISA-N 1 2 196.250 1.426 20 0 ADADLO c1cn(CCO[C@@H]2CCCCO2)c[nH+]1 202794160 541315233 /nfs/dbraw/zinc/31/52/33/541315233.db2.gz GPFPQTXNAXILAD-SNVBAGLBSA-N 1 2 196.250 1.426 20 0 ADADLO OC1CC(CCNc2cccc[nH+]2)C1 306511463 541329700 /nfs/dbraw/zinc/32/97/00/541329700.db2.gz MZVTWLCNNPEPBO-UHFFFAOYSA-N 1 2 192.262 1.655 20 0 ADADLO CCc1cc(N2CC(F)C2)nc(C)[nH+]1 335111794 541334372 /nfs/dbraw/zinc/33/43/72/541334372.db2.gz WKTNDNMQTTYABT-UHFFFAOYSA-N 1 2 195.241 1.506 20 0 ADADLO CC(C)[N@H+](CCCCO)CC(F)F 379233319 541337322 /nfs/dbraw/zinc/33/73/22/541337322.db2.gz UDBYNYXKYOLHOJ-UHFFFAOYSA-N 1 2 195.253 1.734 20 0 ADADLO CC(C)[N@@H+](CCCCO)CC(F)F 379233319 541337324 /nfs/dbraw/zinc/33/73/24/541337324.db2.gz UDBYNYXKYOLHOJ-UHFFFAOYSA-N 1 2 195.253 1.734 20 0 ADADLO CC[N@H+](Cc1cn[nH]c1C)C1CC1 381840239 541339400 /nfs/dbraw/zinc/33/94/00/541339400.db2.gz DIDJOOZQNOSQPW-UHFFFAOYSA-N 1 2 179.267 1.702 20 0 ADADLO CC[N@@H+](Cc1cn[nH]c1C)C1CC1 381840239 541339405 /nfs/dbraw/zinc/33/94/05/541339405.db2.gz DIDJOOZQNOSQPW-UHFFFAOYSA-N 1 2 179.267 1.702 20 0 ADADLO Cc1[nH+]c[nH]c1CNC(=O)CC(C)C 380178744 541339451 /nfs/dbraw/zinc/33/94/51/541339451.db2.gz PLVXSNOMXDFLAU-UHFFFAOYSA-N 1 2 195.266 1.380 20 0 ADADLO CC[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C 380170575 541339833 /nfs/dbraw/zinc/33/98/33/541339833.db2.gz 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/nfs/dbraw/zinc/00/96/35/757009635.db2.gz QKSHMCGOFLZCMU-UHFFFAOYSA-N 1 2 137.173 1.593 20 0 ADADLO C[C@H](O)[C@H](C)[N@@H+]1CCC(F)(F)C1 306343249 757061568 /nfs/dbraw/zinc/06/15/68/757061568.db2.gz HWZFXQOZBOZVMN-BQBZGAKWSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H](O)[C@H](C)[N@H+]1CCC(F)(F)C1 306343249 757061576 /nfs/dbraw/zinc/06/15/76/757061576.db2.gz HWZFXQOZBOZVMN-BQBZGAKWSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]([C@@H](C)O)[N@@H+]1CCC(F)(F)C1 306343254 757061699 /nfs/dbraw/zinc/06/16/99/757061699.db2.gz HWZFXQOZBOZVMN-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]([C@@H](C)O)[N@H+]1CCC(F)(F)C1 306343254 757061706 /nfs/dbraw/zinc/06/17/06/757061706.db2.gz HWZFXQOZBOZVMN-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H](O)[C@@H](C)[N@@H+]1CCC(F)(F)C1 306343260 757062212 /nfs/dbraw/zinc/06/22/12/757062212.db2.gz HWZFXQOZBOZVMN-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H](O)[C@@H](C)[N@H+]1CCC(F)(F)C1 306343260 757062222 /nfs/dbraw/zinc/06/22/22/757062222.db2.gz HWZFXQOZBOZVMN-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H](O)[C@@H](C)[N@@H+]1CCC(F)(F)C1 306343267 757062512 /nfs/dbraw/zinc/06/25/12/757062512.db2.gz HWZFXQOZBOZVMN-RQJHMYQMSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H](O)[C@@H](C)[N@H+]1CCC(F)(F)C1 306343267 757062525 /nfs/dbraw/zinc/06/25/25/757062525.db2.gz HWZFXQOZBOZVMN-RQJHMYQMSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@@H+]1CCF 307664458 757096223 /nfs/dbraw/zinc/09/62/23/757096223.db2.gz KJNMIZIEBATRLB-JGVFFNPUSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@H+]1CCF 307664458 757096238 /nfs/dbraw/zinc/09/62/38/757096238.db2.gz KJNMIZIEBATRLB-JGVFFNPUSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@@H]1C[N@H+](CCF)[C@H](C)CO1 307664457 757097687 /nfs/dbraw/zinc/09/76/87/757097687.db2.gz KJNMIZIEBATRLB-HTQZYQBOSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@@H]1C[N@@H+](CCF)[C@H](C)CO1 307664457 757097695 /nfs/dbraw/zinc/09/76/95/757097695.db2.gz KJNMIZIEBATRLB-HTQZYQBOSA-N 1 2 161.220 1.065 20 0 ADADLO Cc1cc(C[N@@H+](C)C(C)C)n[nH]1 307751158 757099182 /nfs/dbraw/zinc/09/91/82/757099182.db2.gz MWUYNBVIMXKDIE-UHFFFAOYSA-N 1 2 167.256 1.558 20 0 ADADLO Cc1cc(C[N@H+](C)C(C)C)n[nH]1 307751158 757099193 /nfs/dbraw/zinc/09/91/93/757099193.db2.gz MWUYNBVIMXKDIE-UHFFFAOYSA-N 1 2 167.256 1.558 20 0 ADADLO CCc1ccc(N(C)CCO)[nH+]c1 308117463 757101394 /nfs/dbraw/zinc/10/13/94/757101394.db2.gz AFZOZFNDEKGRPN-UHFFFAOYSA-N 1 2 180.251 1.073 20 0 ADADLO CC(C)CCN(C)c1cc(N)nc[nH+]1 82426630 572026397 /nfs/dbraw/zinc/02/63/97/572026397.db2.gz PLIWQFXHMDDHNX-UHFFFAOYSA-N 1 2 194.282 1.541 20 0 ADADLO CC[NH2+]Cc1noc(CCC2CC2)n1 400989940 757147248 /nfs/dbraw/zinc/14/72/48/757147248.db2.gz VVKLYPBGRNXELD-UHFFFAOYSA-N 1 2 195.266 1.522 20 0 ADADLO C[N@@H+](CC=C(Cl)Cl)CCO 403315886 757180248 /nfs/dbraw/zinc/18/02/48/757180248.db2.gz BVMVOBDKWJKIOI-UHFFFAOYSA-N 1 2 184.066 1.230 20 0 ADADLO C[N@H+](CC=C(Cl)Cl)CCO 403315886 757180259 /nfs/dbraw/zinc/18/02/59/757180259.db2.gz BVMVOBDKWJKIOI-UHFFFAOYSA-N 1 2 184.066 1.230 20 0 ADADLO C1=C[C@H]([NH2+]Cc2ccn[nH]2)CC1 694037014 757397096 /nfs/dbraw/zinc/39/70/96/757397096.db2.gz WUOAGFJDYDGKID-QMMMGPOBSA-N 1 2 163.224 1.218 20 0 ADADLO C1=C[C@@H]([NH2+]Cc2ccn[nH]2)CC1 694037013 757397582 /nfs/dbraw/zinc/39/75/82/757397582.db2.gz WUOAGFJDYDGKID-MRVPVSSYSA-N 1 2 163.224 1.218 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@@H]1C=CCC1 698278292 757456867 /nfs/dbraw/zinc/45/68/67/757456867.db2.gz ONIXQTKRPBSMQE-SNVBAGLBSA-N 1 2 177.251 1.526 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@H]1C=CCC1 698278291 757458126 /nfs/dbraw/zinc/45/81/26/757458126.db2.gz ONIXQTKRPBSMQE-JTQLQIEISA-N 1 2 177.251 1.526 20 0 ADADLO C[C@@H]1COC[C@@H]1Nc1cc[nH+]cc1F 699873586 757477244 /nfs/dbraw/zinc/47/72/44/757477244.db2.gz BXDMQKMAESTEMD-XCBNKYQSSA-N 1 2 196.225 1.089 20 0 ADADLO C[C@@H]1COC[C@H]1Nc1cc[nH+]cc1F 699873580 757480047 /nfs/dbraw/zinc/48/00/47/757480047.db2.gz BXDMQKMAESTEMD-GMSGAONNSA-N 1 2 196.225 1.089 20 0 ADADLO C[C@H]1COC[C@@H]1Nc1cc[nH+]cc1F 699873589 757481033 /nfs/dbraw/zinc/48/10/33/757481033.db2.gz BXDMQKMAESTEMD-XVKPBYJWSA-N 1 2 196.225 1.089 20 0 ADADLO C[C@H]1COC[C@H]1Nc1cc[nH+]cc1F 699873583 757481098 /nfs/dbraw/zinc/48/10/98/757481098.db2.gz BXDMQKMAESTEMD-OIBJUYFYSA-N 1 2 196.225 1.089 20 0 ADADLO CCC/C=C\C(=O)NC1=[NH+]CCS1 308311256 573229289 /nfs/dbraw/zinc/22/92/89/573229289.db2.gz RMSNLCYSTWCXGL-PLNGDYQASA-N 1 2 198.291 1.562 20 0 ADADLO C[N@@H+](Cc1ccoc1)CC1OCCO1 777559412 757491024 /nfs/dbraw/zinc/49/10/24/757491024.db2.gz DEDBXLUAYUNWJS-UHFFFAOYSA-N 1 2 197.234 1.084 20 0 ADADLO C[N@H+](Cc1ccoc1)CC1OCCO1 777559412 757491035 /nfs/dbraw/zinc/49/10/35/757491035.db2.gz DEDBXLUAYUNWJS-UHFFFAOYSA-N 1 2 197.234 1.084 20 0 ADADLO C[C@@H](C(=O)NC1(C)CC1)n1cc[nH+]c1 1116090137 757584794 /nfs/dbraw/zinc/58/47/94/757584794.db2.gz GCNMYFHVFJIOQG-QMMMGPOBSA-N 1 2 193.250 1.113 20 0 ADADLO CCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 1115910446 757586156 /nfs/dbraw/zinc/58/61/56/757586156.db2.gz IOJLSVWSFQXNGT-SECBINFHSA-N 1 2 195.266 1.313 20 0 ADADLO CCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 1115910447 757592204 /nfs/dbraw/zinc/59/22/04/757592204.db2.gz IOJLSVWSFQXNGT-VIFPVBQESA-N 1 2 195.266 1.313 20 0 ADADLO C[C@H](C(=O)NC1(C)CC1)n1cc[nH+]c1 1116090136 757592951 /nfs/dbraw/zinc/59/29/51/757592951.db2.gz GCNMYFHVFJIOQG-MRVPVSSYSA-N 1 2 193.250 1.113 20 0 ADADLO COCCC[N@H+](C)Cc1cc(C)[nH]n1 1116442249 757595344 /nfs/dbraw/zinc/59/53/44/757595344.db2.gz NLUNOCQYTDYHOM-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO COCCC[N@@H+](C)Cc1cc(C)[nH]n1 1116442249 757595360 /nfs/dbraw/zinc/59/53/60/757595360.db2.gz NLUNOCQYTDYHOM-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO CC(C)[C@@H](C)c1nnc(C[NH+](C)C)o1 1117229153 757627650 /nfs/dbraw/zinc/62/76/50/757627650.db2.gz PPCHCFXOZHZRAH-MRVPVSSYSA-N 1 2 197.282 1.891 20 0 ADADLO CC(C)[C@H](C)c1nnc(C[NH+](C)C)o1 1117229154 757628883 /nfs/dbraw/zinc/62/88/83/757628883.db2.gz PPCHCFXOZHZRAH-QMMMGPOBSA-N 1 2 197.282 1.891 20 0 ADADLO CCC1(c2nnc(C[NH+](C)C)o2)CC1 1117260861 757631525 /nfs/dbraw/zinc/63/15/25/757631525.db2.gz YTCSHEKGVPCEFM-UHFFFAOYSA-N 1 2 195.266 1.573 20 0 ADADLO C[NH+](C)Cc1nnc(CC2CCC2)o1 1117260592 757634768 /nfs/dbraw/zinc/63/47/68/757634768.db2.gz OAWGHKUIQGDXSQ-UHFFFAOYSA-N 1 2 195.266 1.474 20 0 ADADLO CC/C(C)=C/c1nnc(C[NH+](C)C)o1 1118372022 757676746 /nfs/dbraw/zinc/67/67/46/757676746.db2.gz LQWUSFWRHGDXGZ-SOFGYWHQSA-N 1 2 195.266 1.945 20 0 ADADLO C[NH+](C)Cc1nnc(CC2(C)CC2)o1 1118372049 757677686 /nfs/dbraw/zinc/67/76/86/757677686.db2.gz MPHLAZPIXDSNCD-UHFFFAOYSA-N 1 2 195.266 1.474 20 0 ADADLO CC/C(C)=C\c1nnc(C[NH+](C)C)o1 1118372023 757678728 /nfs/dbraw/zinc/67/87/28/757678728.db2.gz LQWUSFWRHGDXGZ-VURMDHGXSA-N 1 2 195.266 1.945 20 0 ADADLO C[C@H]1[C@H](C)CC[N@H+]1Cc1nnc[nH]1 1118496274 757680831 /nfs/dbraw/zinc/68/08/31/757680831.db2.gz TUEINPLBSSYGEO-SFYZADRCSA-N 1 2 180.255 1.035 20 0 ADADLO CC[N@@H+](Cc1nnc[nH]1)C1CCCC1 1118495273 757682406 /nfs/dbraw/zinc/68/24/06/757682406.db2.gz SSMNDIWICOYSTO-UHFFFAOYSA-N 1 2 194.282 1.569 20 0 ADADLO CC1(C)CC[NH+](Cc2nnc[nH]2)CC1 1118556096 757683007 /nfs/dbraw/zinc/68/30/07/757683007.db2.gz BRSKYITVZWDFCF-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)[C@@H]1C 1118496273 757684585 /nfs/dbraw/zinc/68/45/85/757684585.db2.gz TUEINPLBSSYGEO-JGVFFNPUSA-N 1 2 180.255 1.035 20 0 ADADLO C[C@@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 1118557885 757684643 /nfs/dbraw/zinc/68/46/43/757684643.db2.gz KXAVTHXBHURCLZ-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO C[C@@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 1118557885 757684648 /nfs/dbraw/zinc/68/46/48/757684648.db2.gz KXAVTHXBHURCLZ-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO CCC(C)(C)[N@@H+](C)Cc1nnc[nH]1 1118496370 757684907 /nfs/dbraw/zinc/68/49/07/757684907.db2.gz VTNSKKFPZNWKJS-UHFFFAOYSA-N 1 2 182.271 1.425 20 0 ADADLO CC[C@H](C)C[N@@H+](CC)Cc1nnc[nH]1 1118495851 757685721 /nfs/dbraw/zinc/68/57/21/757685721.db2.gz DYUDXIQVCCKBBK-VIFPVBQESA-N 1 2 196.298 1.673 20 0 ADADLO CC[C@H]1CCC[N@H+](Cc2nnc[nH]2)C1 1118558013 757686325 /nfs/dbraw/zinc/68/63/25/757686325.db2.gz LPHKNQDUHBEYMK-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 1118558013 757686355 /nfs/dbraw/zinc/68/63/55/757686355.db2.gz LPHKNQDUHBEYMK-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)[C@@H]1C 1118496272 757688014 /nfs/dbraw/zinc/68/80/14/757688014.db2.gz TUEINPLBSSYGEO-HTQZYQBOSA-N 1 2 180.255 1.035 20 0 ADADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nnc[nH]1 1118500375 757689706 /nfs/dbraw/zinc/68/97/06/757689706.db2.gz GZPZWVOLSXCRGC-MRVPVSSYSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)[C@H]1C 1118496275 757690736 /nfs/dbraw/zinc/69/07/36/757690736.db2.gz TUEINPLBSSYGEO-YUMQZZPRSA-N 1 2 180.255 1.035 20 0 ADADLO C[C@H]1CCCC[N@H+](Cc2nnc[nH]2)C1 1118557887 757690946 /nfs/dbraw/zinc/69/09/46/757690946.db2.gz KXAVTHXBHURCLZ-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO C[C@H]1CCCC[N@@H+](Cc2nnc[nH]2)C1 1118557887 757690948 /nfs/dbraw/zinc/69/09/48/757690948.db2.gz KXAVTHXBHURCLZ-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@H](C)C[N@@H+](CC)Cc1nnc[nH]1 1118495850 757693503 /nfs/dbraw/zinc/69/35/03/757693503.db2.gz DYUDXIQVCCKBBK-SECBINFHSA-N 1 2 196.298 1.673 20 0 ADADLO CC[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 1118558012 757693999 /nfs/dbraw/zinc/69/39/99/757693999.db2.gz LPHKNQDUHBEYMK-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 1118558012 757694033 /nfs/dbraw/zinc/69/40/33/757694033.db2.gz LPHKNQDUHBEYMK-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1nnc[nH]1 1118500376 757694145 /nfs/dbraw/zinc/69/41/45/757694145.db2.gz GZPZWVOLSXCRGC-QMMMGPOBSA-N 1 2 194.282 1.425 20 0 ADADLO CC[N@@H+](Cc1nnc[nH]1)CC(C)C 1118558695 757697153 /nfs/dbraw/zinc/69/71/53/757697153.db2.gz RAVWSLPKOKGWRH-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CC[N@H+](Cc1nnc[nH]1)CC(C)C 1118558695 757697172 /nfs/dbraw/zinc/69/71/72/757697172.db2.gz RAVWSLPKOKGWRH-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CC[N@H+](Cc1nnc[nH]1)C(C)(C)C 1118564852 757698856 /nfs/dbraw/zinc/69/88/56/757698856.db2.gz RRPHJZUXZGROHE-UHFFFAOYSA-N 1 2 182.271 1.425 20 0 ADADLO CC[N@@H+](Cc1nnc[nH]1)C(C)(C)C 1118564852 757698864 /nfs/dbraw/zinc/69/88/64/757698864.db2.gz RRPHJZUXZGROHE-UHFFFAOYSA-N 1 2 182.271 1.425 20 0 ADADLO Cc1nc(C[NH2+]C(C)(C)CF)[nH]c1C 1118909944 757716724 /nfs/dbraw/zinc/71/67/24/757716724.db2.gz YFXXBDPWVGQJJT-UHFFFAOYSA-N 1 2 199.273 1.864 20 0 ADADLO CC(C)(C)c1cn(CCO)c[nH+]1 1118927474 757719923 /nfs/dbraw/zinc/71/99/23/757719923.db2.gz QDEOSJNYNDIAQA-UHFFFAOYSA-N 1 2 168.240 1.173 20 0 ADADLO c1n[nH]cc1-c1c[nH+]c2n1CCCC2 1118974102 757723310 /nfs/dbraw/zinc/72/33/10/757723310.db2.gz YCFZQROHGAENPZ-UHFFFAOYSA-N 1 2 188.234 1.610 20 0 ADADLO CC[NH2+][C@@]1(C)CC(C)(C)OC1=O 238263495 573061428 /nfs/dbraw/zinc/06/14/28/573061428.db2.gz IEHOQNVMNQUGLO-VIFPVBQESA-N 1 2 171.240 1.080 20 0 ADADLO C=CC(=O)Nc1ccn2cc[nH+]c2c1 1120459862 757809131 /nfs/dbraw/zinc/80/91/31/757809131.db2.gz PHPBBCGPJHIIFF-UHFFFAOYSA-N 1 2 187.202 1.459 20 0 ADADLO CCc1ccc(N(C)[C@H](C)CO)[nH+]c1 1120932138 757822614 /nfs/dbraw/zinc/82/26/14/757822614.db2.gz AIJJCIOYJRJSCC-SECBINFHSA-N 1 2 194.278 1.461 20 0 ADADLO Cc1c[nH+]cc(C)c1NC(=O)C1CC1 1121138509 757824632 /nfs/dbraw/zinc/82/46/32/757824632.db2.gz BRCNXEMSQGELNJ-UHFFFAOYSA-N 1 2 190.246 1.469 20 0 ADADLO CCC(=O)OCCCc1c[nH+]cn1C 1123065866 757844536 /nfs/dbraw/zinc/84/45/36/757844536.db2.gz JEXCKUGYHWUJRH-UHFFFAOYSA-N 1 2 196.250 1.306 20 0 ADADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1ccc[nH]1 308501345 573100548 /nfs/dbraw/zinc/10/05/48/573100548.db2.gz GTTCNFKONDQFBF-QMMMGPOBSA-N 1 2 190.250 1.589 20 0 ADADLO CCNC(=O)c1cc2c[nH+]ccc2[nH]1 1135647878 757873212 /nfs/dbraw/zinc/87/32/12/757873212.db2.gz OOXLFCFHAZIENV-UHFFFAOYSA-N 1 2 189.218 1.313 20 0 ADADLO C[C@H](O)C[N@H+](C)C/C(Cl)=C/Cl 86001441 573219285 /nfs/dbraw/zinc/21/92/85/573219285.db2.gz NRKIUYOVKBWDMZ-PJGJZCPTSA-N 1 2 198.093 1.618 20 0 ADADLO C[C@H](O)C[N@@H+](C)C/C(Cl)=C/Cl 86001441 573219290 /nfs/dbraw/zinc/21/92/90/573219290.db2.gz NRKIUYOVKBWDMZ-PJGJZCPTSA-N 1 2 198.093 1.618 20 0 ADADLO C[C@@H](O)C[N@H+](C)C/C(Cl)=C/Cl 86001443 573220634 /nfs/dbraw/zinc/22/06/34/573220634.db2.gz NRKIUYOVKBWDMZ-NPQKIFFKSA-N 1 2 198.093 1.618 20 0 ADADLO C[C@@H](O)C[N@@H+](C)C/C(Cl)=C/Cl 86001443 573220638 /nfs/dbraw/zinc/22/06/38/573220638.db2.gz NRKIUYOVKBWDMZ-NPQKIFFKSA-N 1 2 198.093 1.618 20 0 ADADLO Cl/C=C/C[NH2+]Cc1ccon1 236014715 573240740 /nfs/dbraw/zinc/24/07/40/573240740.db2.gz XROZBAYBVZCIHV-HNQUOIGGSA-N 1 2 172.615 1.517 20 0 ADADLO Nc1[nH+]cccc1CSC1COC1 86196029 573298173 /nfs/dbraw/zinc/29/81/73/573298173.db2.gz ZYCZMRKPCMCFBA-UHFFFAOYSA-N 1 2 196.275 1.296 20 0 ADADLO C1=CO[C@@H](C[NH2+]Cc2ccn[nH]2)CC1 50269516 573339036 /nfs/dbraw/zinc/33/90/36/573339036.db2.gz KICCZMUWZCAGNH-SNVBAGLBSA-N 1 2 193.250 1.192 20 0 ADADLO C[C@@H](NCc1ccon1)c1[nH]cc[nH+]1 393662566 573344962 /nfs/dbraw/zinc/34/49/62/573344962.db2.gz AOIBYLZKKSTYKP-SSDOTTSWSA-N 1 2 192.222 1.249 20 0 ADADLO CCOC(=O)[C@@H](C)[NH2+][C@H]1CCC1(C)C 308564271 573365657 /nfs/dbraw/zinc/36/56/57/573365657.db2.gz ZGDJUHSIWGBAKB-BDAKNGLRSA-N 1 2 199.294 1.716 20 0 ADADLO CCCCc1nnc(C[NH+](C)C)o1 308383117 573407978 /nfs/dbraw/zinc/40/79/78/573407978.db2.gz VMDTWNVAXLIVJS-UHFFFAOYSA-N 1 2 183.255 1.474 20 0 ADADLO CCCCOC(=O)Cn1cc[nH+]c1 34179841 572000635 /nfs/dbraw/zinc/00/06/35/572000635.db2.gz XRRSQSYGWKWVBJ-UHFFFAOYSA-N 1 2 182.223 1.226 20 0 ADADLO CCC[NH2+][C@@H](C)C(=O)OC(C)(C)C 82777027 572111615 /nfs/dbraw/zinc/11/16/15/572111615.db2.gz XZWACVICCNBLSU-QMMMGPOBSA-N 1 2 187.283 1.716 20 0 ADADLO CC(C)CNc1cc(N(C)C)nc[nH+]1 585415195 572998887 /nfs/dbraw/zinc/99/88/87/572998887.db2.gz MGSYVWAPFKKVOX-UHFFFAOYSA-N 1 2 194.282 1.611 20 0 ADADLO CC(C)CNc1cc(N(C)C)[nH+]cn1 585415195 572998894 /nfs/dbraw/zinc/99/88/94/572998894.db2.gz MGSYVWAPFKKVOX-UHFFFAOYSA-N 1 2 194.282 1.611 20 0 ADADLO COc1cc[nH+]cc1COC(C)=O 308478741 573024667 /nfs/dbraw/zinc/02/46/67/573024667.db2.gz MPOAFIAJRBKGRE-UHFFFAOYSA-N 1 2 181.191 1.153 20 0 ADADLO CC(C)(C)c1cc[nH+]cc1N 96135148 573596881 /nfs/dbraw/zinc/59/68/81/573596881.db2.gz TZEDCZGGACXELD-UHFFFAOYSA-N 1 2 150.225 1.961 20 0 ADADLO O[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 86001459 573217178 /nfs/dbraw/zinc/21/71/78/573217178.db2.gz SIPWXKIIQNRHQW-NFNQMPKISA-N 1 2 196.077 1.372 20 0 ADADLO O[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 86001459 573217186 /nfs/dbraw/zinc/21/71/86/573217186.db2.gz SIPWXKIIQNRHQW-NFNQMPKISA-N 1 2 196.077 1.372 20 0 ADADLO CCc1cc(N)nc(SCOC)[nH+]1 308323696 573236468 /nfs/dbraw/zinc/23/64/68/573236468.db2.gz DCABNZQHIGJQBK-UHFFFAOYSA-N 1 2 199.279 1.317 20 0 ADADLO CCCC(=O)OCc1cc[nH+]c(N)c1 308563184 573361328 /nfs/dbraw/zinc/36/13/28/573361328.db2.gz GKHHYKWIIQIRMJ-UHFFFAOYSA-N 1 2 194.234 1.507 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CCC1(C)C 308564275 573369011 /nfs/dbraw/zinc/36/90/11/573369011.db2.gz ZGDJUHSIWGBAKB-IUCAKERBSA-N 1 2 199.294 1.716 20 0 ADADLO O=C(Cc1c[nH]c[nH+]1)NC1CCCC1 74673136 573368362 /nfs/dbraw/zinc/36/83/62/573368362.db2.gz SJONVLUPMLBFJC-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO O=C(Cc1c[nH+]c[nH]1)NC1CCCC1 74673136 573368369 /nfs/dbraw/zinc/36/83/69/573368369.db2.gz SJONVLUPMLBFJC-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CCC1(C)C 308564273 573368544 /nfs/dbraw/zinc/36/85/44/573368544.db2.gz ZGDJUHSIWGBAKB-DTWKUNHWSA-N 1 2 199.294 1.716 20 0 ADADLO CCCCCNC(=O)Cc1c[nH]c[nH+]1 74673404 573368698 /nfs/dbraw/zinc/36/86/98/573368698.db2.gz GLXOLVVJLSXQSH-UHFFFAOYSA-N 1 2 195.266 1.259 20 0 ADADLO CCCCCNC(=O)Cc1c[nH+]c[nH]1 74673404 573368699 /nfs/dbraw/zinc/36/86/99/573368699.db2.gz GLXOLVVJLSXQSH-UHFFFAOYSA-N 1 2 195.266 1.259 20 0 ADADLO CCCCN(C)C(=O)Cc1c[nH+]c[nH]1 74673407 573369637 /nfs/dbraw/zinc/36/96/37/573369637.db2.gz NYLSQSMSKBNQSK-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO C[C@@H]1CCC[C@H]1[NH2+]Cc1ncn[nH]1 83390676 573480860 /nfs/dbraw/zinc/48/08/60/573480860.db2.gz LUKIGDPINXIQTA-HTQZYQBOSA-N 1 2 180.255 1.083 20 0 ADADLO CC(C)(C)C(=O)OCCn1cc[nH+]c1 146782708 573596994 /nfs/dbraw/zinc/59/69/94/573596994.db2.gz HDRUIFZGUOGLMN-UHFFFAOYSA-N 1 2 196.250 1.472 20 0 ADADLO C[C@@H](NCC(C)(F)F)c1[nH]cc[nH+]1 393545192 573637558 /nfs/dbraw/zinc/63/75/58/573637558.db2.gz GTMSROHLMCLTPT-ZCFIWIBFSA-N 1 2 189.209 1.716 20 0 ADADLO COCSc1nc(N)cc(C)[nH+]1 96775168 573640116 /nfs/dbraw/zinc/64/01/16/573640116.db2.gz FQFWYVUBENFAPJ-UHFFFAOYSA-N 1 2 185.252 1.063 20 0 ADADLO CC1(C)CCC[C@H]1[NH2+]Cc1ncn[nH]1 86856874 573654973 /nfs/dbraw/zinc/65/49/73/573654973.db2.gz VTNVFPWUEPDCQM-MRVPVSSYSA-N 1 2 194.282 1.473 20 0 ADADLO Cc1cnc(C)c(-n2cc[nH+]c2)n1 83813159 573659171 /nfs/dbraw/zinc/65/91/71/573659171.db2.gz PKWBZYPSXUCRSJ-UHFFFAOYSA-N 1 2 174.207 1.279 20 0 ADADLO c1csc(C[NH2+]Cc2cc[nH]n2)n1 41012590 573799483 /nfs/dbraw/zinc/79/94/83/573799483.db2.gz FHXQJDFFTFBBKO-UHFFFAOYSA-N 1 2 194.263 1.156 20 0 ADADLO C=CC(=O)Nc1ccc(C)[nH+]c1C 87151900 573799879 /nfs/dbraw/zinc/79/98/79/573799879.db2.gz LVCSXHMCEJWRMY-UHFFFAOYSA-N 1 2 176.219 1.823 20 0 ADADLO Cc1ncc(C[NH+]2CC(C)(O)C2)s1 84356124 573855104 /nfs/dbraw/zinc/85/51/04/573855104.db2.gz NSOMGHXBMIGQDM-UHFFFAOYSA-N 1 2 198.291 1.018 20 0 ADADLO CC(C)C1(O)C[NH+](Cc2ccco2)C1 84376908 573861453 /nfs/dbraw/zinc/86/14/53/573861453.db2.gz LQEXCGZICWFNAX-UHFFFAOYSA-N 1 2 195.262 1.482 20 0 ADADLO CC(=O)c1ccnc(-n2cc[nH+]c2)c1 87400536 573910931 /nfs/dbraw/zinc/91/09/31/573910931.db2.gz CNGFAEVXASGCSO-UHFFFAOYSA-N 1 2 187.202 1.470 20 0 ADADLO CCCOC(=O)N(C)Cc1[nH]cc[nH+]1 308463078 573920476 /nfs/dbraw/zinc/92/04/76/573920476.db2.gz GXBSUQXVLMTYQX-UHFFFAOYSA-N 1 2 197.238 1.388 20 0 ADADLO C/C=C/C(=O)Nc1cc[nH+]c(C)c1 82255052 573994058 /nfs/dbraw/zinc/99/40/58/573994058.db2.gz PVZQDUCJWJBZBB-ONEGZZNKSA-N 1 2 176.219 1.905 20 0 ADADLO CC(=O)[C@@H]([NH3+])c1cccc(F)c1F 104491157 574009538 /nfs/dbraw/zinc/00/95/38/574009538.db2.gz GNKYNNPCFRWGAG-SECBINFHSA-N 1 2 185.173 1.554 20 0 ADADLO Cc1cc(N2CC(F)(F)C2)nc[nH+]1 585380762 574009805 /nfs/dbraw/zinc/00/98/05/574009805.db2.gz ZAQSIXJXGISPAH-UHFFFAOYSA-N 1 2 185.177 1.240 20 0 ADADLO CC(=O)[C@H]([NH3+])c1cc(F)ccc1F 104491162 574011513 /nfs/dbraw/zinc/01/15/13/574011513.db2.gz SLSGSNORKUJKPP-VIFPVBQESA-N 1 2 185.173 1.554 20 0 ADADLO COc1ccc([C@H]([NH3+])C(C)=O)c(F)c1 104493529 574010822 /nfs/dbraw/zinc/01/08/22/574010822.db2.gz JHBQHQUPKXDREZ-SNVBAGLBSA-N 1 2 197.209 1.423 20 0 ADADLO Cc1cc(N2CC(C(F)F)C2)nc[nH+]1 585382689 574013294 /nfs/dbraw/zinc/01/32/94/574013294.db2.gz ODRXJXMOKHQJRG-UHFFFAOYSA-N 1 2 199.204 1.486 20 0 ADADLO COc1cc(F)ccc1[C@@H]([NH3+])C(C)=O 104494867 574013379 /nfs/dbraw/zinc/01/33/79/574013379.db2.gz BCJNBCWQSNDJKX-JTQLQIEISA-N 1 2 197.209 1.423 20 0 ADADLO COc1ccc(F)cc1[C@@H]([NH3+])C(C)=O 104494841 574013567 /nfs/dbraw/zinc/01/35/67/574013567.db2.gz ULYAFGRCLFISJE-JTQLQIEISA-N 1 2 197.209 1.423 20 0 ADADLO COc1c(F)cccc1[C@@H]([NH3+])C(C)=O 104494878 574013559 /nfs/dbraw/zinc/01/35/59/574013559.db2.gz AHSKJOFKGUCEGV-VIFPVBQESA-N 1 2 197.209 1.423 20 0 ADADLO COc1c(F)cccc1[C@H]([NH3+])C(C)=O 104494882 574014859 /nfs/dbraw/zinc/01/48/59/574014859.db2.gz AHSKJOFKGUCEGV-SECBINFHSA-N 1 2 197.209 1.423 20 0 ADADLO CN(C)c1cc(NC2CCC2)[nH+]cn1 585384746 574017696 /nfs/dbraw/zinc/01/76/96/574017696.db2.gz VUEFOWONAZBSRY-UHFFFAOYSA-N 1 2 192.266 1.507 20 0 ADADLO CN(C)c1cc(NC2CCC2)nc[nH+]1 585384746 574017699 /nfs/dbraw/zinc/01/76/99/574017699.db2.gz VUEFOWONAZBSRY-UHFFFAOYSA-N 1 2 192.266 1.507 20 0 ADADLO FC(F)C1C[NH+](Cc2cccnc2)C1 585383153 574018431 /nfs/dbraw/zinc/01/84/31/574018431.db2.gz VRYWYNSVDIBSPI-UHFFFAOYSA-N 1 2 198.216 1.779 20 0 ADADLO Cc1csc(C[NH2+]CCF)n1 87774844 574031919 /nfs/dbraw/zinc/03/19/19/574031919.db2.gz XSONUULDDWZEBN-UHFFFAOYSA-N 1 2 174.244 1.511 20 0 ADADLO CNc1cc(NC2CCCC2)[nH+]cn1 87807207 574038335 /nfs/dbraw/zinc/03/83/35/574038335.db2.gz LWHSERYMUIXIIF-UHFFFAOYSA-N 1 2 192.266 1.873 20 0 ADADLO CNc1cc(NC(C)C)[nH+]cn1 87806728 574038468 /nfs/dbraw/zinc/03/84/68/574038468.db2.gz OOVFIGIVKGUMDC-UHFFFAOYSA-N 1 2 166.228 1.339 20 0 ADADLO CCCN(C)c1cc(NC)[nH+]cn1 87809191 574039031 /nfs/dbraw/zinc/03/90/31/574039031.db2.gz FQQPZTHQGVQRQP-UHFFFAOYSA-N 1 2 180.255 1.365 20 0 ADADLO CCCN(C)c1cc(NC)nc[nH+]1 87809191 574039033 /nfs/dbraw/zinc/03/90/33/574039033.db2.gz FQQPZTHQGVQRQP-UHFFFAOYSA-N 1 2 180.255 1.365 20 0 ADADLO CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 1151963915 760671832 /nfs/dbraw/zinc/67/18/32/760671832.db2.gz RWOYUAIDXQUXSB-UHFFFAOYSA-N 1 2 189.218 1.265 20 0 ADADLO Nc1cc(N2CCC[C@H]3C[C@H]32)[nH+]cn1 1157145135 760731711 /nfs/dbraw/zinc/73/17/11/760731711.db2.gz YJUNXGAYIJBVRD-JGVFFNPUSA-N 1 2 190.250 1.048 20 0 ADADLO Nc1cc(N2CCC[C@@H]3C[C@@H]32)[nH+]cn1 1157145136 760733115 /nfs/dbraw/zinc/73/31/15/760733115.db2.gz YJUNXGAYIJBVRD-SFYZADRCSA-N 1 2 190.250 1.048 20 0 ADADLO C[C@@H]1CCN1C(=O)[C@@H](C)n1cc[nH+]c1 1177923273 761458239 /nfs/dbraw/zinc/45/82/39/761458239.db2.gz XCFDAKLVRCBATC-RKDXNWHRSA-N 1 2 193.250 1.065 20 0 ADADLO CC(C)N(C)C(=O)[C@@H](C)n1cc[nH+]c1 1177921643 761458708 /nfs/dbraw/zinc/45/87/08/761458708.db2.gz IMNHQBPVGMIXBM-SECBINFHSA-N 1 2 195.266 1.311 20 0 ADADLO C[C@H]1CCN1C(=O)[C@@H](C)n1cc[nH+]c1 1177923269 761459332 /nfs/dbraw/zinc/45/93/32/761459332.db2.gz XCFDAKLVRCBATC-DTWKUNHWSA-N 1 2 193.250 1.065 20 0 ADADLO CCCn1c[nH+]c(CC)c1 1190102833 761596132 /nfs/dbraw/zinc/59/61/32/761596132.db2.gz DGXUIQXXQLMVIN-UHFFFAOYSA-N 1 2 138.214 1.856 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2nnc[nH]2)C1 1193888939 761644746 /nfs/dbraw/zinc/64/47/46/761644746.db2.gz NFLKINOFNXDKPX-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 1193888939 761644765 /nfs/dbraw/zinc/64/47/65/761644765.db2.gz NFLKINOFNXDKPX-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H]([NH2+]CCF)c1ccn(C)n1 1195023579 761685829 /nfs/dbraw/zinc/68/58/29/761685829.db2.gz XCRINAWBEJPUOY-ZETCQYMHSA-N 1 2 171.219 1.040 20 0 ADADLO C[C@@H]([NH2+]CCF)c1ccn(C)n1 1195023573 761685918 /nfs/dbraw/zinc/68/59/18/761685918.db2.gz XCRINAWBEJPUOY-SSDOTTSWSA-N 1 2 171.219 1.040 20 0 ADADLO CC(C)CC[N@@H+]1Cc2cnn(C)c2C1 1201623748 761795854 /nfs/dbraw/zinc/79/58/54/761795854.db2.gz JBKOVCFQVSARPM-UHFFFAOYSA-N 1 2 193.294 1.782 20 0 ADADLO CC(C)CC[N@H+]1Cc2cnn(C)c2C1 1201623748 761795862 /nfs/dbraw/zinc/79/58/62/761795862.db2.gz JBKOVCFQVSARPM-UHFFFAOYSA-N 1 2 193.294 1.782 20 0 ADADLO Cc1cc(C[N@H+](C)CCC2CC2)n[nH]1 1203082538 761833027 /nfs/dbraw/zinc/83/30/27/761833027.db2.gz UHXAHQILGYTLMA-UHFFFAOYSA-N 1 2 193.294 1.950 20 0 ADADLO Cc1cc(C[N@@H+](C)CCC2CC2)n[nH]1 1203082538 761833028 /nfs/dbraw/zinc/83/30/28/761833028.db2.gz UHXAHQILGYTLMA-UHFFFAOYSA-N 1 2 193.294 1.950 20 0 ADADLO Cc1cc(C[N@H+]2C[C@H]3C[C@H]3C2)n[nH]1 1203071264 761834585 /nfs/dbraw/zinc/83/45/85/761834585.db2.gz JVSRUSJNPPRVHS-DTORHVGOSA-N 1 2 177.251 1.170 20 0 ADADLO Cc1cc(C[N@@H+]2C[C@H]3C[C@H]3C2)n[nH]1 1203071264 761834586 /nfs/dbraw/zinc/83/45/86/761834586.db2.gz JVSRUSJNPPRVHS-DTORHVGOSA-N 1 2 177.251 1.170 20 0 ADADLO COCC[N@H+](C)Cc1ncccc1F 1207026023 762138062 /nfs/dbraw/zinc/13/80/62/762138062.db2.gz CBCMETYMGZFNAR-UHFFFAOYSA-N 1 2 198.241 1.299 20 0 ADADLO COCC[N@@H+](C)Cc1ncccc1F 1207026023 762138105 /nfs/dbraw/zinc/13/81/05/762138105.db2.gz CBCMETYMGZFNAR-UHFFFAOYSA-N 1 2 198.241 1.299 20 0 ADADLO c1cc(C[NH+]2CC3(CCC3)C2)no1 1209560883 762316488 /nfs/dbraw/zinc/31/64/88/762316488.db2.gz ZIBHUQSOQFSOPP-UHFFFAOYSA-N 1 2 178.235 1.661 20 0 ADADLO C[C@@H]1CCCC[N@@H+]1Cc1nnc[nH]1 1237602632 764682393 /nfs/dbraw/zinc/68/23/93/764682393.db2.gz WBWLHUUWTWHFDQ-MRVPVSSYSA-N 1 2 180.255 1.179 20 0 ADADLO C[C@@H]1CCCC[N@H+]1Cc1nnc[nH]1 1237602632 764682418 /nfs/dbraw/zinc/68/24/18/764682418.db2.gz WBWLHUUWTWHFDQ-MRVPVSSYSA-N 1 2 180.255 1.179 20 0 ADADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc[nH]2)C1 1237601648 764683122 /nfs/dbraw/zinc/68/31/22/764683122.db2.gz KEWQERPSMSRZES-RKDXNWHRSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2nnc[nH]2)CC1 1237602664 764683134 /nfs/dbraw/zinc/68/31/34/764683134.db2.gz XDQWOPLPZXNESX-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)CC1 1237602664 764683137 /nfs/dbraw/zinc/68/31/37/764683137.db2.gz XDQWOPLPZXNESX-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@H]1CCC[N@H+]1Cc1nnc[nH]1 1237602292 764685662 /nfs/dbraw/zinc/68/56/62/764685662.db2.gz RSRCIVYFSDTXCB-MRVPVSSYSA-N 1 2 180.255 1.179 20 0 ADADLO CC[C@@H]1CCC[N@@H+]1Cc1nnc[nH]1 1237602292 764685647 /nfs/dbraw/zinc/68/56/47/764685647.db2.gz RSRCIVYFSDTXCB-MRVPVSSYSA-N 1 2 180.255 1.179 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)C[C@@H]1CC1(C)C 1237602315 764686127 /nfs/dbraw/zinc/68/61/27/764686127.db2.gz SCOVQLQENAAXBG-QMMMGPOBSA-N 1 2 194.282 1.283 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)C[C@@H]1CC1(C)C 1237602315 764686137 /nfs/dbraw/zinc/68/61/37/764686137.db2.gz SCOVQLQENAAXBG-QMMMGPOBSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1C[C@H](C)C[NH+](Cc2nnc[nH]2)C1 1237601646 764686785 /nfs/dbraw/zinc/68/67/85/764686785.db2.gz KEWQERPSMSRZES-IUCAKERBSA-N 1 2 194.282 1.283 20 0 ADADLO CCCC[N@H+](CC)Cc1nnc[nH]1 1237601521 764687512 /nfs/dbraw/zinc/68/75/12/764687512.db2.gz HCDSXXODDXJGIM-UHFFFAOYSA-N 1 2 182.271 1.427 20 0 ADADLO CCCC[N@@H+](CC)Cc1nnc[nH]1 1237601521 764687534 /nfs/dbraw/zinc/68/75/34/764687534.db2.gz HCDSXXODDXJGIM-UHFFFAOYSA-N 1 2 182.271 1.427 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@H+](Cc2nnc[nH]2)C1 1237601633 764688887 /nfs/dbraw/zinc/68/88/87/764688887.db2.gz KEWQERPSMSRZES-DTORHVGOSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@@H+](Cc2nnc[nH]2)C1 1237601633 764688898 /nfs/dbraw/zinc/68/88/98/764688898.db2.gz KEWQERPSMSRZES-DTORHVGOSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2nnc[nH]2)CC1 1237602665 764689041 /nfs/dbraw/zinc/68/90/41/764689041.db2.gz XDQWOPLPZXNESX-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2nnc[nH]2)CC1 1237602665 764689053 /nfs/dbraw/zinc/68/90/53/764689053.db2.gz XDQWOPLPZXNESX-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO C[C@H]1CCC[C@@H](C)[N@@H+]1Cc1nnc[nH]1 1237600946 764689146 /nfs/dbraw/zinc/68/91/46/764689146.db2.gz DFFMGZYUNFARFQ-DTORHVGOSA-N 1 2 194.282 1.568 20 0 ADADLO C[C@H]1CCC[C@@H](C)[N@H+]1Cc1nnc[nH]1 1237600946 764689158 /nfs/dbraw/zinc/68/91/58/764689158.db2.gz DFFMGZYUNFARFQ-DTORHVGOSA-N 1 2 194.282 1.568 20 0 ADADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nnc[nH]1 1237600955 764690012 /nfs/dbraw/zinc/69/00/12/764690012.db2.gz DFFMGZYUNFARFQ-RKDXNWHRSA-N 1 2 194.282 1.568 20 0 ADADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1nnc[nH]1 1237600951 764691588 /nfs/dbraw/zinc/69/15/88/764691588.db2.gz DFFMGZYUNFARFQ-IUCAKERBSA-N 1 2 194.282 1.568 20 0 ADADLO CCC[NH+](CCC)Cc1nnc[nH]1 1237601471 764692111 /nfs/dbraw/zinc/69/21/11/764692111.db2.gz GPJKFQJETYMZRC-UHFFFAOYSA-N 1 2 182.271 1.427 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2nnc[nH]2)C1 1237601987 764692341 /nfs/dbraw/zinc/69/23/41/764692341.db2.gz NFLKINOFNXDKPX-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)C1 1237601987 764692353 /nfs/dbraw/zinc/69/23/53/764692353.db2.gz NFLKINOFNXDKPX-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)C[C@H]1CC1(C)C 1237602314 764693375 /nfs/dbraw/zinc/69/33/75/764693375.db2.gz SCOVQLQENAAXBG-MRVPVSSYSA-N 1 2 194.282 1.283 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)C[C@H]1CC1(C)C 1237602314 764693380 /nfs/dbraw/zinc/69/33/80/764693380.db2.gz SCOVQLQENAAXBG-MRVPVSSYSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1[C@H](C)CCC[N@@H+]1Cc1nnc[nH]1 1237607485 764695780 /nfs/dbraw/zinc/69/57/80/764695780.db2.gz ZWVMKSYOWQPNGB-BDAKNGLRSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1[C@H](C)CCC[N@H+]1Cc1nnc[nH]1 1237607485 764695790 /nfs/dbraw/zinc/69/57/90/764695790.db2.gz ZWVMKSYOWQPNGB-BDAKNGLRSA-N 1 2 194.282 1.425 20 0 ADADLO CCC[N@H+](CC)Cc1nnc[nH]1 1237603299 764696226 /nfs/dbraw/zinc/69/62/26/764696226.db2.gz PWKSHCSAKSRWLJ-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CCC[N@@H+](CC)Cc1nnc[nH]1 1237603299 764696239 /nfs/dbraw/zinc/69/62/39/764696239.db2.gz PWKSHCSAKSRWLJ-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2nnc[nH]2)[C@H]1C 1237607488 764696917 /nfs/dbraw/zinc/69/69/17/764696917.db2.gz ZWVMKSYOWQPNGB-IUCAKERBSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2nnc[nH]2)[C@H]1C 1237607488 764696936 /nfs/dbraw/zinc/69/69/36/764696936.db2.gz ZWVMKSYOWQPNGB-IUCAKERBSA-N 1 2 194.282 1.425 20 0 ADADLO CC(C)[N@@H+](Cc1nnc[nH]1)CC1CC1 1237606739 764697145 /nfs/dbraw/zinc/69/71/45/764697145.db2.gz RETHDGBPMWUSDP-UHFFFAOYSA-N 1 2 194.282 1.425 20 0 ADADLO CC(C)[N@H+](Cc1nnc[nH]1)CC1CC1 1237606739 764697146 /nfs/dbraw/zinc/69/71/46/764697146.db2.gz RETHDGBPMWUSDP-UHFFFAOYSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1CCCC[N@@H+]1Cc1nnc[nH]1 1237603668 764698024 /nfs/dbraw/zinc/69/80/24/764698024.db2.gz WBWLHUUWTWHFDQ-QMMMGPOBSA-N 1 2 180.255 1.179 20 0 ADADLO C[C@H]1CCCC[N@H+]1Cc1nnc[nH]1 1237603668 764698035 /nfs/dbraw/zinc/69/80/35/764698035.db2.gz WBWLHUUWTWHFDQ-QMMMGPOBSA-N 1 2 180.255 1.179 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2nnc[nH]2)[C@@H]1C 1237607486 764698247 /nfs/dbraw/zinc/69/82/47/764698247.db2.gz ZWVMKSYOWQPNGB-DTWKUNHWSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2nnc[nH]2)[C@@H]1C 1237607486 764698252 /nfs/dbraw/zinc/69/82/52/764698252.db2.gz ZWVMKSYOWQPNGB-DTWKUNHWSA-N 1 2 194.282 1.425 20 0 ADADLO c1nnc(C[NH+]2CCCCCCC2)[nH]1 1237608334 764698526 /nfs/dbraw/zinc/69/85/26/764698526.db2.gz JFMZSFDMWNZUDE-UHFFFAOYSA-N 1 2 194.282 1.571 20 0 ADADLO CC[N@H+](Cc1nnc[nH]1)C(C)C 1237603273 764699221 /nfs/dbraw/zinc/69/92/21/764699221.db2.gz PACADKBJXSMFCZ-UHFFFAOYSA-N 1 2 168.244 1.035 20 0 ADADLO CC[N@@H+](Cc1nnc[nH]1)C(C)C 1237603273 764699239 /nfs/dbraw/zinc/69/92/39/764699239.db2.gz PACADKBJXSMFCZ-UHFFFAOYSA-N 1 2 168.244 1.035 20 0 ADADLO c1nnc(C[N@@H+]2CCC3(CCC3)C2)[nH]1 1237608108 764699401 /nfs/dbraw/zinc/69/94/01/764699401.db2.gz HIGJCXHXTQHPPR-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1nnc(C[N@H+]2CCC3(CCC3)C2)[nH]1 1237608108 764699413 /nfs/dbraw/zinc/69/94/13/764699413.db2.gz HIGJCXHXTQHPPR-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO CCC[N@@H+](Cc1nnc[nH]1)CC1CC1 1237603274 764699565 /nfs/dbraw/zinc/69/95/65/764699565.db2.gz PBGVLKMFOGUXQO-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CCC[N@H+](Cc1nnc[nH]1)CC1CC1 1237603274 764699571 /nfs/dbraw/zinc/69/95/71/764699571.db2.gz PBGVLKMFOGUXQO-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@H]1CCCC[N@@H+]1Cc1nnc[nH]1 1237608563 764700174 /nfs/dbraw/zinc/70/01/74/764700174.db2.gz KZXDQHCRJVVLTP-SECBINFHSA-N 1 2 194.282 1.569 20 0 ADADLO CC[C@@H]1CCCC[N@H+]1Cc1nnc[nH]1 1237608563 764700191 /nfs/dbraw/zinc/70/01/91/764700191.db2.gz KZXDQHCRJVVLTP-SECBINFHSA-N 1 2 194.282 1.569 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2nnc[nH]2)[C@@H]1C 1237607489 764700723 /nfs/dbraw/zinc/70/07/23/764700723.db2.gz ZWVMKSYOWQPNGB-RKDXNWHRSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2nnc[nH]2)[C@@H]1C 1237607489 764700736 /nfs/dbraw/zinc/70/07/36/764700736.db2.gz ZWVMKSYOWQPNGB-RKDXNWHRSA-N 1 2 194.282 1.425 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)C(C)(C)C 1237603920 764701853 /nfs/dbraw/zinc/70/18/53/764701853.db2.gz FQPLNSUGTULTER-UHFFFAOYSA-N 1 2 168.244 1.035 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)C(C)(C)C 1237603920 764701861 /nfs/dbraw/zinc/70/18/61/764701861.db2.gz FQPLNSUGTULTER-UHFFFAOYSA-N 1 2 168.244 1.035 20 0 ADADLO C[C@@H]1CC[N@H+](Cc2nnc[nH]2)[C@H](C)C1 1237609472 764703270 /nfs/dbraw/zinc/70/32/70/764703270.db2.gz WVYFOALNVDKPFB-RKDXNWHRSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)[C@H](C)C1 1237609472 764703280 /nfs/dbraw/zinc/70/32/80/764703280.db2.gz WVYFOALNVDKPFB-RKDXNWHRSA-N 1 2 194.282 1.425 20 0 ADADLO CC[C@H]1CCC[N@@H+]1Cc1nnc[nH]1 1237609073 764705698 /nfs/dbraw/zinc/70/56/98/764705698.db2.gz RSRCIVYFSDTXCB-QMMMGPOBSA-N 1 2 180.255 1.179 20 0 ADADLO CC[C@H]1CCC[N@H+]1Cc1nnc[nH]1 1237609073 764705707 /nfs/dbraw/zinc/70/57/07/764705707.db2.gz RSRCIVYFSDTXCB-QMMMGPOBSA-N 1 2 180.255 1.179 20 0 ADADLO CC[C@H]1CCCC[N@@H+]1Cc1nnc[nH]1 1237608565 764705765 /nfs/dbraw/zinc/70/57/65/764705765.db2.gz KZXDQHCRJVVLTP-VIFPVBQESA-N 1 2 194.282 1.569 20 0 ADADLO CC[C@H]1CCCC[N@H+]1Cc1nnc[nH]1 1237608565 764705782 /nfs/dbraw/zinc/70/57/82/764705782.db2.gz KZXDQHCRJVVLTP-VIFPVBQESA-N 1 2 194.282 1.569 20 0 ADADLO CC[C@@H]1CC[N@H+](Cc2nnc[nH]2)C1 1237604912 764705986 /nfs/dbraw/zinc/70/59/86/764705986.db2.gz SCTGEGFGSRDYMW-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@@H]1CC[N@@H+](Cc2nnc[nH]2)C1 1237604912 764705996 /nfs/dbraw/zinc/70/59/96/764705996.db2.gz SCTGEGFGSRDYMW-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO c1cn(CCc2cscn2)c[nH+]1 1250316709 767023458 /nfs/dbraw/zinc/02/34/58/767023458.db2.gz UHBUGECJASMHPH-UHFFFAOYSA-N 1 2 179.248 1.582 20 0 ADADLO c1cn(CCc2cncs2)c[nH+]1 1250316241 767025620 /nfs/dbraw/zinc/02/56/20/767025620.db2.gz DVDNFSXYIBKAAF-UHFFFAOYSA-N 1 2 179.248 1.582 20 0 ADADLO C[C@@H](C(=O)N(C)C1CC1)n1cc[nH+]c1 1251288736 767082745 /nfs/dbraw/zinc/08/27/45/767082745.db2.gz JJGUNZIPWRUOCB-QMMMGPOBSA-N 1 2 193.250 1.065 20 0 ADADLO C[C@H](C(=O)N(C)C1CC1)n1cc[nH+]c1 1251288735 767083571 /nfs/dbraw/zinc/08/35/71/767083571.db2.gz JJGUNZIPWRUOCB-MRVPVSSYSA-N 1 2 193.250 1.065 20 0 ADADLO N#Cc1ccc(Cn2cc[nH+]c2)s1 34384532 1169072242 /nfs/dbraw/zinc/07/22/42/1169072242.db2.gz IIVWRZFCSUWAKX-UHFFFAOYSA-N 1 2 189.243 1.865 20 0 ADADLO CCC(CC)C[NH2+]Cc1ncn[nH]1 37919161 1169077727 /nfs/dbraw/zinc/07/77/27/1169077727.db2.gz LAXLCARMIGMLSQ-UHFFFAOYSA-N 1 2 182.271 1.331 20 0 ADADLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ncn[nH]1 37919501 1169078211 /nfs/dbraw/zinc/07/82/11/1169078211.db2.gz BAWZZTKQLPFXRZ-HTQZYQBOSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@H](C)[C@H](C)[NH2+]Cc1ncn[nH]1 37919504 1169078416 /nfs/dbraw/zinc/07/84/16/1169078416.db2.gz BAWZZTKQLPFXRZ-YUMQZZPRSA-N 1 2 182.271 1.329 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@H]1CCSC1 38011104 1169079018 /nfs/dbraw/zinc/07/90/18/1169079018.db2.gz XZJWFLADHSLZMV-VIFPVBQESA-N 1 2 197.307 1.313 20 0 ADADLO CC[C@@H](C)[C@H](C)[NH2+]Cc1ncn[nH]1 37919503 1169079818 /nfs/dbraw/zinc/07/98/18/1169079818.db2.gz BAWZZTKQLPFXRZ-SFYZADRCSA-N 1 2 182.271 1.329 20 0 ADADLO CC[C@H](C)[C@@H](C)[NH2+]Cc1ncn[nH]1 37919502 1169080235 /nfs/dbraw/zinc/08/02/35/1169080235.db2.gz BAWZZTKQLPFXRZ-JGVFFNPUSA-N 1 2 182.271 1.329 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCSC1 38011103 1169080581 /nfs/dbraw/zinc/08/05/81/1169080581.db2.gz XZJWFLADHSLZMV-SECBINFHSA-N 1 2 197.307 1.313 20 0 ADADLO Cc1[nH+]c(C(C)(C)C)nc(N)c1C 45628395 1169091256 /nfs/dbraw/zinc/09/12/56/1169091256.db2.gz XBDZQYVVFTXTJW-UHFFFAOYSA-N 1 2 179.267 1.973 20 0 ADADLO c1cn(CCC2CC2)c[nH+]1 79795961 1169102812 /nfs/dbraw/zinc/10/28/12/1169102812.db2.gz GLGFOPCZMBSOKJ-UHFFFAOYSA-N 1 2 136.198 1.683 20 0 ADADLO CC(=O)N1CCC(n2cc[nH+]c2)CC1 82274765 1169109924 /nfs/dbraw/zinc/10/99/24/1169109924.db2.gz YHXWXOJIESSDES-UHFFFAOYSA-N 1 2 193.250 1.067 20 0 ADADLO C=CC(=O)Nc1cc[nH+]c(C)c1 86113882 1169122335 /nfs/dbraw/zinc/12/23/35/1169122335.db2.gz PYWMUNACCNXAAP-UHFFFAOYSA-N 1 2 162.192 1.515 20 0 ADADLO c1c2c([nH+]c3c1CC3)CC2 90751134 1169126161 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0 ADADLO CC(C)C[NH+]1CC(F)C1 307506006 1169524839 /nfs/dbraw/zinc/52/48/39/1169524839.db2.gz XZSACAKNVGXAFJ-UHFFFAOYSA-N 1 2 131.194 1.296 20 0 ADADLO Cc1cc(CNc2cccc[nH+]2)[nH]n1 307505868 1169525221 /nfs/dbraw/zinc/52/52/21/1169525221.db2.gz XQJAVGCEKDJMFB-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO CC(C)(CF)[NH2+]Cc1nccs1 307958029 1169544478 /nfs/dbraw/zinc/54/44/78/1169544478.db2.gz HRNYRNVMKGNKNE-UHFFFAOYSA-N 1 2 188.271 1.981 20 0 ADADLO CC(C)OC(=O)C[NH2+][C@@H]1CCC1(C)C 308467287 1169550276 /nfs/dbraw/zinc/55/02/76/1169550276.db2.gz AKILRAPUQJBMED-SECBINFHSA-N 1 2 199.294 1.716 20 0 ADADLO CC(C)(CF)[NH2+]Cc1ncc[nH]1 379322317 1169569466 /nfs/dbraw/zinc/56/94/66/1169569466.db2.gz IFBJXUQOMYCGQM-UHFFFAOYSA-N 1 2 171.219 1.247 20 0 ADADLO CC(C)(CF)[NH2+]Cc1cscn1 379322988 1169570777 /nfs/dbraw/zinc/57/07/77/1169570777.db2.gz NCMNWJHBLHVVGH-UHFFFAOYSA-N 1 2 188.271 1.981 20 0 ADADLO CC[N@H+](Cc1cc(C)[nH]n1)C1CC1 379352798 1169573359 /nfs/dbraw/zinc/57/33/59/1169573359.db2.gz CSEHCNMMTFWABT-UHFFFAOYSA-N 1 2 179.267 1.702 20 0 ADADLO CC(C)OC(=O)C[N@H+]1CC=CCC1 379406121 1169584037 /nfs/dbraw/zinc/58/40/37/1169584037.db2.gz VQBXWXDXTWUAPB-UHFFFAOYSA-N 1 2 183.251 1.200 20 0 ADADLO CC(C)OC(=O)C[N@@H+]1CC=CCC1 379406121 1169584044 /nfs/dbraw/zinc/58/40/44/1169584044.db2.gz VQBXWXDXTWUAPB-UHFFFAOYSA-N 1 2 183.251 1.200 20 0 ADADLO CCn1ccnc1C[NH2+]C(C)(C)CF 379575315 1169588316 /nfs/dbraw/zinc/58/83/16/1169588316.db2.gz JVEPDOUUBSNQAE-UHFFFAOYSA-N 1 2 199.273 1.741 20 0 ADADLO CN(CCC1CC1)c1cc(N)nc[nH+]1 379593430 1169589204 /nfs/dbraw/zinc/58/92/04/1169589204.db2.gz BSBPWXWDYOHERH-UHFFFAOYSA-N 1 2 192.266 1.295 20 0 ADADLO CC1=CC[N@H+](CC(=O)OC(C)C)CC1 382502785 1169603328 /nfs/dbraw/zinc/60/33/28/1169603328.db2.gz RPBOLUSSAFHZOQ-UHFFFAOYSA-N 1 2 197.278 1.590 20 0 ADADLO CC1=CC[N@@H+](CC(=O)OC(C)C)CC1 382502785 1169603334 /nfs/dbraw/zinc/60/33/34/1169603334.db2.gz RPBOLUSSAFHZOQ-UHFFFAOYSA-N 1 2 197.278 1.590 20 0 ADADLO C[C@H](CC(C)(C)O)[NH2+]Cc1ccn[nH]1 384955312 1169607762 /nfs/dbraw/zinc/60/77/62/1169607762.db2.gz GRLWBRKNDIDARC-MRVPVSSYSA-N 1 2 197.282 1.049 20 0 ADADLO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccn[nH]1 384955313 1169609139 /nfs/dbraw/zinc/60/91/39/1169609139.db2.gz GRLWBRKNDIDARC-QMMMGPOBSA-N 1 2 197.282 1.049 20 0 ADADLO CCC[N@H+](CC(F)F)[C@H](C)[C@H](C)O 385741687 1169610772 /nfs/dbraw/zinc/61/07/72/1169610772.db2.gz DJLBCLRBQQOKDB-SFYZADRCSA-N 1 2 195.253 1.733 20 0 ADADLO CCC[N@@H+](CC(F)F)[C@H](C)[C@H](C)O 385741687 1169610776 /nfs/dbraw/zinc/61/07/76/1169610776.db2.gz DJLBCLRBQQOKDB-SFYZADRCSA-N 1 2 195.253 1.733 20 0 ADADLO CCC[N@H+](CC(F)F)[C@@H](C)[C@H](C)O 385741690 1169611335 /nfs/dbraw/zinc/61/13/35/1169611335.db2.gz DJLBCLRBQQOKDB-YUMQZZPRSA-N 1 2 195.253 1.733 20 0 ADADLO CCC[N@@H+](CC(F)F)[C@@H](C)[C@H](C)O 385741690 1169611341 /nfs/dbraw/zinc/61/13/41/1169611341.db2.gz DJLBCLRBQQOKDB-YUMQZZPRSA-N 1 2 195.253 1.733 20 0 ADADLO CCC[N@H+](CC(F)F)[C@@H](C)[C@@H](C)O 385741686 1169611508 /nfs/dbraw/zinc/61/15/08/1169611508.db2.gz DJLBCLRBQQOKDB-JGVFFNPUSA-N 1 2 195.253 1.733 20 0 ADADLO CCC[N@@H+](CC(F)F)[C@@H](C)[C@@H](C)O 385741686 1169611509 /nfs/dbraw/zinc/61/15/09/1169611509.db2.gz DJLBCLRBQQOKDB-JGVFFNPUSA-N 1 2 195.253 1.733 20 0 ADADLO CCC[N@H+](CC(F)F)[C@H](C)[C@@H](C)O 385741671 1169611807 /nfs/dbraw/zinc/61/18/07/1169611807.db2.gz DJLBCLRBQQOKDB-HTQZYQBOSA-N 1 2 195.253 1.733 20 0 ADADLO CCC[N@@H+](CC(F)F)[C@H](C)[C@@H](C)O 385741671 1169611811 /nfs/dbraw/zinc/61/18/11/1169611811.db2.gz DJLBCLRBQQOKDB-HTQZYQBOSA-N 1 2 195.253 1.733 20 0 ADADLO CC(C)(CF)[NH2+]Cc1cc[nH]n1 388523827 1169626576 /nfs/dbraw/zinc/62/65/76/1169626576.db2.gz YOHSRSYMAVFCSR-UHFFFAOYSA-N 1 2 171.219 1.247 20 0 ADADLO CCCn1c[nH+]cc1CN1CCCN1 400639450 1169676790 /nfs/dbraw/zinc/67/67/90/1169676790.db2.gz JESOJRMJQOKZDV-UHFFFAOYSA-N 1 2 194.282 1.003 20 0 ADADLO C[C@@H](O)[C@@H](C)[N@@H+]1CCCC(F)(F)C1 405092861 1169682701 /nfs/dbraw/zinc/68/27/01/1169682701.db2.gz XGAUIKCQXBCKRY-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)[C@@H](C)[N@H+]1CCCC(F)(F)C1 405092861 1169682706 /nfs/dbraw/zinc/68/27/06/1169682706.db2.gz XGAUIKCQXBCKRY-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)[C@H](C)[N@@H+]1CCCC(F)(F)C1 405092868 1169682813 /nfs/dbraw/zinc/68/28/13/1169682813.db2.gz XGAUIKCQXBCKRY-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)[C@H](C)[N@H+]1CCCC(F)(F)C1 405092868 1169682815 /nfs/dbraw/zinc/68/28/15/1169682815.db2.gz XGAUIKCQXBCKRY-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H]([C@@H](C)O)[N@@H+]1CCCC(F)(F)C1 405092863 1169682853 /nfs/dbraw/zinc/68/28/53/1169682853.db2.gz XGAUIKCQXBCKRY-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H]([C@@H](C)O)[N@H+]1CCCC(F)(F)C1 405092863 1169682857 /nfs/dbraw/zinc/68/28/57/1169682857.db2.gz XGAUIKCQXBCKRY-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)[C@@H](C)[N@@H+]1CCCC(F)(F)C1 405092866 1169683942 /nfs/dbraw/zinc/68/39/42/1169683942.db2.gz XGAUIKCQXBCKRY-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)[C@@H](C)[N@H+]1CCCC(F)(F)C1 405092866 1169683950 /nfs/dbraw/zinc/68/39/50/1169683950.db2.gz XGAUIKCQXBCKRY-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO Cc1nccnc1Cn1cc[nH+]c1 606252656 1169690516 /nfs/dbraw/zinc/69/05/16/1169690516.db2.gz SXFMBHQQWLXYLC-UHFFFAOYSA-N 1 2 174.207 1.030 20 0 ADADLO Cc1cnccc1Cn1cc[nH+]c1 606253183 1169690657 /nfs/dbraw/zinc/69/06/57/1169690657.db2.gz AZWGAMSSBZXPMK-UHFFFAOYSA-N 1 2 173.219 1.635 20 0 ADADLO Cc1cc(Cn2cc[nH+]c2)ccn1 606253316 1169690685 /nfs/dbraw/zinc/69/06/85/1169690685.db2.gz OMTSBAWINAFDFM-UHFFFAOYSA-N 1 2 173.219 1.635 20 0 ADADLO c1cc(Cn2cc[nH+]c2)sn1 606249886 1169690973 /nfs/dbraw/zinc/69/09/73/1169690973.db2.gz VPLAMAJRBZHEGB-UHFFFAOYSA-N 1 2 165.221 1.388 20 0 ADADLO Cc1c[nH]c(CNc2cccc[nH+]2)n1 606261212 1169691962 /nfs/dbraw/zinc/69/19/62/1169691962.db2.gz FDXHQMDUZMGOID-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO CNc1cc(N2CC=CCC2)nc[nH+]1 606263146 1169692013 /nfs/dbraw/zinc/69/20/13/1169692013.db2.gz DHOOELUKOFTMAG-UHFFFAOYSA-N 1 2 190.250 1.285 20 0 ADADLO CNc1cc(N2CC=CCC2)[nH+]cn1 606263146 1169692018 /nfs/dbraw/zinc/69/20/18/1169692018.db2.gz DHOOELUKOFTMAG-UHFFFAOYSA-N 1 2 190.250 1.285 20 0 ADADLO Clc1cncc(Cn2cc[nH+]c2)c1 606267306 1169693366 /nfs/dbraw/zinc/69/33/66/1169693366.db2.gz LUIBVLXZDCVBLA-UHFFFAOYSA-N 1 2 193.637 1.980 20 0 ADADLO Clc1cccnc1Cn1cc[nH+]c1 606267260 1169693776 /nfs/dbraw/zinc/69/37/76/1169693776.db2.gz HMPQHBCWZUWQIG-UHFFFAOYSA-N 1 2 193.637 1.980 20 0 ADADLO CC(C)OC(=O)C[N@H+](C)CCCF 714932544 1169736936 /nfs/dbraw/zinc/73/69/36/1169736936.db2.gz RKUFOZPHRAEPCQ-UHFFFAOYSA-N 1 2 191.246 1.229 20 0 ADADLO CC(C)OC(=O)C[N@@H+](C)CCCF 714932544 1169736946 /nfs/dbraw/zinc/73/69/46/1169736946.db2.gz RKUFOZPHRAEPCQ-UHFFFAOYSA-N 1 2 191.246 1.229 20 0 ADADLO C[C@H]1C[C@@H]1c1noc([C@@H](C)[NH+](C)C)n1 923921646 1169783858 /nfs/dbraw/zinc/78/38/58/1169783858.db2.gz LMRAKYOIQOWPNX-RNJXMRFFSA-N 1 2 195.266 1.816 20 0 ADADLO C[C@H]1C[C@H]1c1noc([C@@H](C)[NH+](C)C)n1 923921649 1169783664 /nfs/dbraw/zinc/78/36/64/1169783664.db2.gz LMRAKYOIQOWPNX-XLPZGREQSA-N 1 2 195.266 1.816 20 0 ADADLO C[C@@H]1C[C@@H]1c1noc([C@@H](C)[NH+](C)C)n1 923921644 1169783789 /nfs/dbraw/zinc/78/37/89/1169783789.db2.gz LMRAKYOIQOWPNX-PRJMDXOYSA-N 1 2 195.266 1.816 20 0 ADADLO c1ncc(C[NH+]2CC3(CCC3)C2)[nH]1 1136866547 1169785598 /nfs/dbraw/zinc/78/55/98/1169785598.db2.gz ZRBKCQYMWCTNTE-UHFFFAOYSA-N 1 2 177.251 1.396 20 0 ADADLO c1nc(C[NH+]2CC3(CCC3)C2)c[nH]1 1136866547 1169785603 /nfs/dbraw/zinc/78/56/03/1169785603.db2.gz ZRBKCQYMWCTNTE-UHFFFAOYSA-N 1 2 177.251 1.396 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@H]2C(C)C)n[nH]1 1254172288 1169860040 /nfs/dbraw/zinc/86/00/40/1169860040.db2.gz KAUMBJFIBUQVRW-NSHDSACASA-N 1 2 193.294 1.948 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@H]2C(C)C)n[nH]1 1254172288 1169860049 /nfs/dbraw/zinc/86/00/49/1169860049.db2.gz KAUMBJFIBUQVRW-NSHDSACASA-N 1 2 193.294 1.948 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@@H]2C(C)C)n[nH]1 1254172285 1169860291 /nfs/dbraw/zinc/86/02/91/1169860291.db2.gz KAUMBJFIBUQVRW-LLVKDONJSA-N 1 2 193.294 1.948 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@@H]2C(C)C)n[nH]1 1254172285 1169860304 /nfs/dbraw/zinc/86/03/04/1169860304.db2.gz KAUMBJFIBUQVRW-LLVKDONJSA-N 1 2 193.294 1.948 20 0 ADADLO C[NH+](C)Cc1nnc(C2CCC2)o1 1255150874 1169905481 /nfs/dbraw/zinc/90/54/81/1169905481.db2.gz UKDGQYGLLZEOSJ-UHFFFAOYSA-N 1 2 181.239 1.399 20 0 ADADLO Cc1cc(C[NH+]2CC(C(C)C)C2)n[nH]1 1256332998 1169967134 /nfs/dbraw/zinc/96/71/34/1169967134.db2.gz ZKLGTWWUZWTYKD-UHFFFAOYSA-N 1 2 193.294 1.806 20 0 ADADLO CC1=CCC[N@@H+](Cc2cc(C)[nH]n2)C1 1256469484 1169971959 /nfs/dbraw/zinc/97/19/59/1169971959.db2.gz FGNLESJHDNVPFM-UHFFFAOYSA-N 1 2 191.278 1.870 20 0 ADADLO CC1=CCC[N@H+](Cc2cc(C)[nH]n2)C1 1256469484 1169971961 /nfs/dbraw/zinc/97/19/61/1169971961.db2.gz FGNLESJHDNVPFM-UHFFFAOYSA-N 1 2 191.278 1.870 20 0 ADADLO O=Cc1cc(-c2c[nH]c[nH+]2)cs1 59209993 566256683 /nfs/dbraw/zinc/25/66/83/566256683.db2.gz AGLHCTYVBOSIJD-UHFFFAOYSA-N 1 2 178.216 1.951 20 0 ADADLO CCC(=O)[C@@H]([NH3+])c1cccs1 123423571 566263429 /nfs/dbraw/zinc/26/34/29/566263429.db2.gz GFBLRGHTFMUVRP-MRVPVSSYSA-N 1 2 169.249 1.727 20 0 ADADLO CCC(=O)[C@H]([NH3+])c1cccs1 123423347 566263742 /nfs/dbraw/zinc/26/37/42/566263742.db2.gz GFBLRGHTFMUVRP-QMMMGPOBSA-N 1 2 169.249 1.727 20 0 ADADLO Cc1[nH+]cccc1Cn1ccc(N)n1 307188992 566296286 /nfs/dbraw/zinc/29/62/86/566296286.db2.gz CDJIELMYJLXBLC-UHFFFAOYSA-N 1 2 188.234 1.217 20 0 ADADLO C[NH+](C)Cc1nnc(C2CCCC2)o1 1257494130 1170041068 /nfs/dbraw/zinc/04/10/68/1170041068.db2.gz OFGNFAWXRMHJFA-UHFFFAOYSA-N 1 2 195.266 1.789 20 0 ADADLO C[C@H](c1nnc(C[NH+](C)C)o1)C1CC1 1257938253 1170049268 /nfs/dbraw/zinc/04/92/68/1170049268.db2.gz YSSQJRJMURWLDV-ZETCQYMHSA-N 1 2 195.266 1.645 20 0 ADADLO C[NH+](C)Cc1nnc(C2CC=CC2)o1 1257945257 1170049489 /nfs/dbraw/zinc/04/94/89/1170049489.db2.gz PPUPFNIVGHZRLL-UHFFFAOYSA-N 1 2 193.250 1.565 20 0 ADADLO C[C@@H](c1nnc(C[NH+](C)C)o1)C1CC1 1257938252 1170049457 /nfs/dbraw/zinc/04/94/57/1170049457.db2.gz YSSQJRJMURWLDV-SSDOTTSWSA-N 1 2 195.266 1.645 20 0 ADADLO C[NH+](C)Cc1nnc(CC(C)(C)C)o1 1257830743 1170049808 /nfs/dbraw/zinc/04/98/08/1170049808.db2.gz MUWRXYDQEBCXSZ-UHFFFAOYSA-N 1 2 197.282 1.720 20 0 ADADLO CC(C)CCc1nnc(C[NH+](C)C)o1 1258256809 1170061985 /nfs/dbraw/zinc/06/19/85/1170061985.db2.gz QOCBSCVZJMTGTD-UHFFFAOYSA-N 1 2 197.282 1.720 20 0 ADADLO C[NH+](C)Cc1nnc([C@H]2CC2(C)C)o1 1261429864 1170114042 /nfs/dbraw/zinc/11/40/42/1170114042.db2.gz QSNIZTNBCUXMQM-SSDOTTSWSA-N 1 2 195.266 1.645 20 0 ADADLO C[C@H]1CC[N@H+](Cc2nnc[nH]2)C[C@H]1C 1261637643 1170116402 /nfs/dbraw/zinc/11/64/02/1170116402.db2.gz AUULNBNJQYGBGT-DTWKUNHWSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)C[C@H]1C 1261637643 1170116404 /nfs/dbraw/zinc/11/64/04/1170116404.db2.gz AUULNBNJQYGBGT-DTWKUNHWSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@@H]1CC[N@H+](Cc2nnc[nH]2)C[C@@H]1C 1261637642 1170117595 /nfs/dbraw/zinc/11/75/95/1170117595.db2.gz AUULNBNJQYGBGT-BDAKNGLRSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)C[C@@H]1C 1261637642 1170117596 /nfs/dbraw/zinc/11/75/96/1170117596.db2.gz AUULNBNJQYGBGT-BDAKNGLRSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1CC[N@H+](Cc2nnc[nH]2)C[C@@H]1C 1261637644 1170117584 /nfs/dbraw/zinc/11/75/84/1170117584.db2.gz AUULNBNJQYGBGT-IUCAKERBSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)C[C@@H]1C 1261637644 1170117585 /nfs/dbraw/zinc/11/75/85/1170117585.db2.gz AUULNBNJQYGBGT-IUCAKERBSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2nnc[nH]2)CC[C@H]1C 1261637645 1170117668 /nfs/dbraw/zinc/11/76/68/1170117668.db2.gz AUULNBNJQYGBGT-RKDXNWHRSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@@H]1C[N@H+](Cc2nnc[nH]2)CC[C@H]1C 1261637645 1170117672 /nfs/dbraw/zinc/11/76/72/1170117672.db2.gz AUULNBNJQYGBGT-RKDXNWHRSA-N 1 2 194.282 1.283 20 0 ADADLO CC(C)[N@H+](Cc1nnc[nH]1)C1CC1 1261637297 1170117730 /nfs/dbraw/zinc/11/77/30/1170117730.db2.gz NIGTZSBRNZAJPJ-UHFFFAOYSA-N 1 2 180.255 1.178 20 0 ADADLO CC(C)[N@@H+](Cc1nnc[nH]1)C1CC1 1261637297 1170117736 /nfs/dbraw/zinc/11/77/36/1170117736.db2.gz NIGTZSBRNZAJPJ-UHFFFAOYSA-N 1 2 180.255 1.178 20 0 ADADLO CC(C)[N@H+](Cc1nnc[nH]1)C1CCC1 1261637669 1170118410 /nfs/dbraw/zinc/11/84/10/1170118410.db2.gz BJURLBVDEKXNNN-UHFFFAOYSA-N 1 2 194.282 1.568 20 0 ADADLO CC(C)[N@@H+](Cc1nnc[nH]1)C1CCC1 1261637669 1170118416 /nfs/dbraw/zinc/11/84/16/1170118416.db2.gz BJURLBVDEKXNNN-UHFFFAOYSA-N 1 2 194.282 1.568 20 0 ADADLO CC[N@@H+](Cc1nnc[nH]1)CC1CC1 1261637935 1170118449 /nfs/dbraw/zinc/11/84/49/1170118449.db2.gz KKDFMHZUTVGNNZ-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC[N@H+](Cc1nnc[nH]1)CC1CC1 1261637935 1170118453 /nfs/dbraw/zinc/11/84/53/1170118453.db2.gz KKDFMHZUTVGNNZ-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@H](CO)[N@@H+]1CCC(F)(F)C1 1262240387 1170127835 /nfs/dbraw/zinc/12/78/35/1170127835.db2.gz ZXFMXRHALJJQRC-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO CC[C@H](CO)[N@H+]1CCC(F)(F)C1 1262240387 1170127837 /nfs/dbraw/zinc/12/78/37/1170127837.db2.gz ZXFMXRHALJJQRC-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO CC[C@@H](CO)[N@@H+]1CCC(F)(F)C1 1262240388 1170128219 /nfs/dbraw/zinc/12/82/19/1170128219.db2.gz ZXFMXRHALJJQRC-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO CC[C@@H](CO)[N@H+]1CCC(F)(F)C1 1262240388 1170128222 /nfs/dbraw/zinc/12/82/22/1170128222.db2.gz ZXFMXRHALJJQRC-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO CCc1ccc(N2CC[C@H](O)C2)[nH+]c1 1262683001 1170136834 /nfs/dbraw/zinc/13/68/34/1170136834.db2.gz SSRXPRZHVQAAMP-JTQLQIEISA-N 1 2 192.262 1.215 20 0 ADADLO CC[NH+]1CC(NC(=O)[C@@H](C)C(C)C)C1 1268457029 1170150856 /nfs/dbraw/zinc/15/08/56/1170150856.db2.gz XNYXXYZJTJDTIA-VIFPVBQESA-N 1 2 198.310 1.099 20 0 ADADLO CC[NH+]1CC(NC(=O)[C@H](C)C(C)C)C1 1268457028 1170151919 /nfs/dbraw/zinc/15/19/19/1170151919.db2.gz XNYXXYZJTJDTIA-SECBINFHSA-N 1 2 198.310 1.099 20 0 ADADLO CC[NH+]1CC(NC(=O)C(C)(C)CC)C1 1318059757 1170195301 /nfs/dbraw/zinc/19/53/01/1170195301.db2.gz WKIJXPKKZIYWCK-UHFFFAOYSA-N 1 2 198.310 1.243 20 0 ADADLO CC(C)N(C)C(=O)[C@H](C)n1cc[nH+]c1 1319033986 1170198124 /nfs/dbraw/zinc/19/81/24/1170198124.db2.gz IMNHQBPVGMIXBM-VIFPVBQESA-N 1 2 195.266 1.311 20 0 ADADLO CC(C)c1ocnc1C[N@H+](C)CCO 1320548073 1170208005 /nfs/dbraw/zinc/20/80/05/1170208005.db2.gz MQFOAOXHMLWAGB-UHFFFAOYSA-N 1 2 198.266 1.222 20 0 ADADLO CC(C)c1ocnc1C[N@@H+](C)CCO 1320548073 1170208007 /nfs/dbraw/zinc/20/80/07/1170208007.db2.gz MQFOAOXHMLWAGB-UHFFFAOYSA-N 1 2 198.266 1.222 20 0 ADADLO CC1(NC(=O)CCc2c[nH]c[nH+]2)CC1 1321506283 1170215197 /nfs/dbraw/zinc/21/51/97/1170215197.db2.gz FCRMRTHNQFRCGF-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO CC1(NC(=O)CCc2c[nH+]c[nH]2)CC1 1321506283 1170215205 /nfs/dbraw/zinc/21/52/05/1170215205.db2.gz FCRMRTHNQFRCGF-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO C/C=C/C=C\c1nnc(C[NH+](C)C)o1 1324178944 1170220141 /nfs/dbraw/zinc/22/01/41/1170220141.db2.gz SRBKFXNMZNDFMS-DEQVHDEQSA-N 1 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/nfs/dbraw/zinc/23/27/14/1170232714.db2.gz WSPJLWABUIFPFL-JTQLQIEISA-N 1 2 193.246 1.887 20 0 ADADLO C[C@@H](C(=O)NC1CCC1)n1cc[nH+]c1 1325416238 1170233098 /nfs/dbraw/zinc/23/30/98/1170233098.db2.gz NQNGELILXSKVGM-QMMMGPOBSA-N 1 2 193.250 1.113 20 0 ADADLO c1cc(OCC[C@H]2CCOC2)cc[nH+]1 1325706185 1170233973 /nfs/dbraw/zinc/23/39/73/1170233973.db2.gz WSPJLWABUIFPFL-SNVBAGLBSA-N 1 2 193.246 1.887 20 0 ADADLO Cc1c[nH]c(C[NH2+]C(C)(C)CF)n1 1327241549 1170247513 /nfs/dbraw/zinc/24/75/13/1170247513.db2.gz XGRJEJCNJUUFDM-UHFFFAOYSA-N 1 2 185.246 1.556 20 0 ADADLO c1nnc(C[N@@H+]2CC[C@@H](C3CC3)C2)[nH]1 1327518525 1170250203 /nfs/dbraw/zinc/25/02/03/1170250203.db2.gz JOKXPIFLEOKNQL-SECBINFHSA-N 1 2 192.266 1.037 20 0 ADADLO c1nnc(C[N@H+]2CC[C@@H](C3CC3)C2)[nH]1 1327518525 1170250210 /nfs/dbraw/zinc/25/02/10/1170250210.db2.gz JOKXPIFLEOKNQL-SECBINFHSA-N 1 2 192.266 1.037 20 0 ADADLO c1nnc(C[N@@H+]2CC[C@H](C3CC3)C2)[nH]1 1327518534 1170250973 /nfs/dbraw/zinc/25/09/73/1170250973.db2.gz 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1.690 20 0 ADADLO CC1(C)C[N@@H+](Cc2cnon2)C1(C)C 1327545450 1170251164 /nfs/dbraw/zinc/25/11/64/1170251164.db2.gz FMLCTVQNQMHWKH-UHFFFAOYSA-N 1 2 195.266 1.690 20 0 ADADLO CC[C@H]1CC[N@H+](Cc2nnc[nH]2)C1 1327547242 1170251383 /nfs/dbraw/zinc/25/13/83/1170251383.db2.gz SCTGEGFGSRDYMW-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@H]1CC[N@@H+](Cc2nnc[nH]2)C1 1327547242 1170251386 /nfs/dbraw/zinc/25/13/86/1170251386.db2.gz SCTGEGFGSRDYMW-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@@H](C)[N@H+](CC)Cc1nnc[nH]1 1327553241 1170252737 /nfs/dbraw/zinc/25/27/37/1170252737.db2.gz ULKOIJVZNNQINI-MRVPVSSYSA-N 1 2 182.271 1.425 20 0 ADADLO CC[C@@H](C)[N@@H+](CC)Cc1nnc[nH]1 1327553241 1170252742 /nfs/dbraw/zinc/25/27/42/1170252742.db2.gz ULKOIJVZNNQINI-MRVPVSSYSA-N 1 2 182.271 1.425 20 0 ADADLO CC[C@H](C)[N@H+](CC)Cc1nnc[nH]1 1327553248 1170253308 /nfs/dbraw/zinc/25/33/08/1170253308.db2.gz ULKOIJVZNNQINI-QMMMGPOBSA-N 1 2 182.271 1.425 20 0 ADADLO CC[C@H](C)[N@@H+](CC)Cc1nnc[nH]1 1327553248 1170253314 /nfs/dbraw/zinc/25/33/14/1170253314.db2.gz ULKOIJVZNNQINI-QMMMGPOBSA-N 1 2 182.271 1.425 20 0 ADADLO CC1(C)OC[C@H](CCn2cc[nH+]c2)O1 1327864498 1170254709 /nfs/dbraw/zinc/25/47/09/1170254709.db2.gz OASVMAZYMLGUGK-VIFPVBQESA-N 1 2 196.250 1.425 20 0 ADADLO CC(C)=C(C)c1nnc(C[NH+](C)C)o1 1327809002 1170256270 /nfs/dbraw/zinc/25/62/70/1170256270.db2.gz WFMIGGZDUPKSJP-UHFFFAOYSA-N 1 2 195.266 1.945 20 0 ADADLO CC1(C)OC[C@@H](CCn2cc[nH+]c2)O1 1327864497 1170256531 /nfs/dbraw/zinc/25/65/31/1170256531.db2.gz OASVMAZYMLGUGK-SECBINFHSA-N 1 2 196.250 1.425 20 0 ADADLO CCC(C)(C)c1nnc(C[NH+](C)C)o1 1328433841 1170262719 /nfs/dbraw/zinc/26/27/19/1170262719.db2.gz PYVIQZITOMXJSP-UHFFFAOYSA-N 1 2 197.282 1.819 20 0 ADADLO c1nnc(C[N@@H+]2CCCC3(CC3)C2)[nH]1 1328409433 1170263354 /nfs/dbraw/zinc/26/33/54/1170263354.db2.gz CNAMZLSPELMNHR-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1nnc(C[N@H+]2CCCC3(CC3)C2)[nH]1 1328409433 1170263364 /nfs/dbraw/zinc/26/33/64/1170263364.db2.gz CNAMZLSPELMNHR-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO CC[N@H+](Cc1nnc[nH]1)C1CCC1 1329878903 1170273820 /nfs/dbraw/zinc/27/38/20/1170273820.db2.gz ZWHWRGCVZYVDGI-UHFFFAOYSA-N 1 2 180.255 1.179 20 0 ADADLO CC[N@@H+](Cc1nnc[nH]1)C1CCC1 1329878903 1170273824 /nfs/dbraw/zinc/27/38/24/1170273824.db2.gz ZWHWRGCVZYVDGI-UHFFFAOYSA-N 1 2 180.255 1.179 20 0 ADADLO CCCC[C@H](C)[N@H+](C)Cc1nnc[nH]1 1329895189 1170274448 /nfs/dbraw/zinc/27/44/48/1170274448.db2.gz NUXGMCIESSPLKB-VIFPVBQESA-N 1 2 196.298 1.815 20 0 ADADLO CCCC[C@H](C)[N@@H+](C)Cc1nnc[nH]1 1329895189 1170274456 /nfs/dbraw/zinc/27/44/56/1170274456.db2.gz NUXGMCIESSPLKB-VIFPVBQESA-N 1 2 196.298 1.815 20 0 ADADLO CCCC[C@@H](C)[N@H+](C)Cc1nnc[nH]1 1329895188 1170274824 /nfs/dbraw/zinc/27/48/24/1170274824.db2.gz NUXGMCIESSPLKB-SECBINFHSA-N 1 2 196.298 1.815 20 0 ADADLO CCCC[C@@H](C)[N@@H+](C)Cc1nnc[nH]1 1329895188 1170274830 /nfs/dbraw/zinc/27/48/30/1170274830.db2.gz NUXGMCIESSPLKB-SECBINFHSA-N 1 2 196.298 1.815 20 0 ADADLO Cc1[nH+]cc(-c2cn[nH]c2)n1C 1330255326 1170276066 /nfs/dbraw/zinc/27/60/66/1170276066.db2.gz TWPVGZWRGKZGGS-UHFFFAOYSA-N 1 2 162.196 1.119 20 0 ADADLO CCC[N@H+](Cc1nnc[nH]1)C(C)C 1330567959 1170278620 /nfs/dbraw/zinc/27/86/20/1170278620.db2.gz YPBGTFTWCDLUSX-UHFFFAOYSA-N 1 2 182.271 1.425 20 0 ADADLO CCC[N@@H+](Cc1nnc[nH]1)C(C)C 1330567959 1170278626 /nfs/dbraw/zinc/27/86/26/1170278626.db2.gz YPBGTFTWCDLUSX-UHFFFAOYSA-N 1 2 182.271 1.425 20 0 ADADLO C[C@H]1C[C@@H](C)[N@H+](Cc2nnc[nH]2)C1 1330546159 1170279389 /nfs/dbraw/zinc/27/93/89/1170279389.db2.gz CDXXYFYGABIRSQ-JGVFFNPUSA-N 1 2 180.255 1.035 20 0 ADADLO C[C@H]1C[C@H](C)[N@H+](Cc2nnc[nH]2)C1 1330546162 1170280153 /nfs/dbraw/zinc/28/01/53/1170280153.db2.gz CDXXYFYGABIRSQ-YUMQZZPRSA-N 1 2 180.255 1.035 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc[nH]1 1330546160 1170281121 /nfs/dbraw/zinc/28/11/21/1170281121.db2.gz CDXXYFYGABIRSQ-SFYZADRCSA-N 1 2 180.255 1.035 20 0 ADADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2nnc[nH]2)C1 1330546152 1170281399 /nfs/dbraw/zinc/28/13/99/1170281399.db2.gz CDXXYFYGABIRSQ-HTQZYQBOSA-N 1 2 180.255 1.035 20 0 ADADLO C[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnc[nH]1 1330547836 1170281441 /nfs/dbraw/zinc/28/14/41/1170281441.db2.gz SIVQVTLXGDDBRN-OCAPTIKFSA-N 1 2 180.255 1.178 20 0 ADADLO CC(C)OC(=O)C[NH+](C1CC1)C1CC1 1331658854 1170292382 /nfs/dbraw/zinc/29/23/82/1170292382.db2.gz JJNVMNHKJLDILO-UHFFFAOYSA-N 1 2 197.278 1.565 20 0 ADADLO C[NH+](C)Cc1nnc(CCC2CC2)o1 1331889506 1170295064 /nfs/dbraw/zinc/29/50/64/1170295064.db2.gz JLWCIMSIIAPLAB-UHFFFAOYSA-N 1 2 195.266 1.474 20 0 ADADLO c1nnc(C[N@H+]2CCCC23CCC3)[nH]1 1333239428 1170320666 /nfs/dbraw/zinc/32/06/66/1170320666.db2.gz ADTCDCIMBMDPNV-UHFFFAOYSA-N 1 2 192.266 1.323 20 0 ADADLO CC(C)(CF)[NH2+]Cc1ccon1 1333320559 1170322302 /nfs/dbraw/zinc/32/23/02/1170322302.db2.gz CHKMTPGZUMZQLF-UHFFFAOYSA-N 1 2 172.203 1.512 20 0 ADADLO CCC(CC)(CC)[NH2+]Cc1ncn[nH]1 1333585450 1170326632 /nfs/dbraw/zinc/32/66/32/1170326632.db2.gz BMOCGVFOARZGFS-UHFFFAOYSA-N 1 2 196.298 1.863 20 0 ADADLO C[C@@H]([N@@H+](C)Cc1nnc[nH]1)C1(C)CC1 1333588249 1170329119 /nfs/dbraw/zinc/32/91/19/1170329119.db2.gz UPODESAYWYVSPI-MRVPVSSYSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]([N@H+](C)Cc1nnc[nH]1)C1(C)CC1 1333588250 1170328829 /nfs/dbraw/zinc/32/88/29/1170328829.db2.gz UPODESAYWYVSPI-QMMMGPOBSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]([N@@H+](C)Cc1nnc[nH]1)C1(C)CC1 1333588250 1170328837 /nfs/dbraw/zinc/32/88/37/1170328837.db2.gz UPODESAYWYVSPI-QMMMGPOBSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@@H]([N@H+](C)Cc1nnc[nH]1)C1(C)CC1 1333588249 1170329111 /nfs/dbraw/zinc/32/91/11/1170329111.db2.gz UPODESAYWYVSPI-MRVPVSSYSA-N 1 2 194.282 1.425 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@@H](CF)C2)n[nH]1 1333719443 1170330819 /nfs/dbraw/zinc/33/08/19/1170330819.db2.gz NMZQBWCHKHTJGX-VIFPVBQESA-N 1 2 197.257 1.510 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@@H](CF)C2)n[nH]1 1333719443 1170330827 /nfs/dbraw/zinc/33/08/27/1170330827.db2.gz NMZQBWCHKHTJGX-VIFPVBQESA-N 1 2 197.257 1.510 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@H](CF)C2)n[nH]1 1333719442 1170332905 /nfs/dbraw/zinc/33/29/05/1170332905.db2.gz NMZQBWCHKHTJGX-SECBINFHSA-N 1 2 197.257 1.510 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@H](CF)C2)n[nH]1 1333719442 1170332912 /nfs/dbraw/zinc/33/29/12/1170332912.db2.gz NMZQBWCHKHTJGX-SECBINFHSA-N 1 2 197.257 1.510 20 0 ADADLO Cc1ncoc1C[NH2+]Cc1ccno1 1334361296 1170341208 /nfs/dbraw/zinc/34/12/08/1170341208.db2.gz YQYOIBRNOGWHCW-UHFFFAOYSA-N 1 2 193.206 1.261 20 0 ADADLO C=CC(=O)NCc1cc(C)[nH+]c(C)c1 1335286661 1170354280 /nfs/dbraw/zinc/35/42/80/1170354280.db2.gz BTISZZCXDYDWOC-UHFFFAOYSA-N 1 2 190.246 1.501 20 0 ADADLO C[NH+](C)Cc1nnc(CCCF)o1 1335382781 1170357207 /nfs/dbraw/zinc/35/72/07/1170357207.db2.gz PVMNHDKYBSMGQM-UHFFFAOYSA-N 1 2 187.218 1.033 20 0 ADADLO CCc1ccc(N(C)C[C@H](C)O)[nH+]c1 1336477301 1170370943 /nfs/dbraw/zinc/37/09/43/1170370943.db2.gz SBSKPNJVYGZPAW-VIFPVBQESA-N 1 2 194.278 1.461 20 0 ADADLO CCc1ccc(N(C)C[C@@H](C)O)[nH+]c1 1336477300 1170372796 /nfs/dbraw/zinc/37/27/96/1170372796.db2.gz SBSKPNJVYGZPAW-SECBINFHSA-N 1 2 194.278 1.461 20 0 ADADLO CCC(=O)Nc1c(C)c[nH+]cc1C 1337509002 1170394683 /nfs/dbraw/zinc/39/46/83/1170394683.db2.gz JRPISIRYTWMBQO-UHFFFAOYSA-N 1 2 178.235 1.469 20 0 ADADLO C[C@H]1CC[C@@H](C)N1c1cc(N)nc[nH+]1 1337887592 1170402958 /nfs/dbraw/zinc/40/29/58/1170402958.db2.gz HQOFZNDTORJPLB-OCAPTIKFSA-N 1 2 192.266 1.436 20 0 ADADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2F)cc[nH+]1 1338038695 1170403375 /nfs/dbraw/zinc/40/33/75/1170403375.db2.gz YXRSDRPFWNKYNC-BDAKNGLRSA-N 1 2 194.209 1.108 20 0 ADADLO C[C@H]1CC[C@H](C)N1c1cc(N)nc[nH+]1 1337887594 1170403779 /nfs/dbraw/zinc/40/37/79/1170403779.db2.gz HQOFZNDTORJPLB-YUMQZZPRSA-N 1 2 192.266 1.436 20 0 ADADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2F)cc[nH+]1 1338038698 1170403910 /nfs/dbraw/zinc/40/39/10/1170403910.db2.gz YXRSDRPFWNKYNC-RKDXNWHRSA-N 1 2 194.209 1.108 20 0 ADADLO C[C@@H]1CC[C@@H](C)N1c1cc(N)nc[nH+]1 1337887590 1170405696 /nfs/dbraw/zinc/40/56/96/1170405696.db2.gz HQOFZNDTORJPLB-HTQZYQBOSA-N 1 2 192.266 1.436 20 0 ADADLO Cc1cc(NC(=O)[C@H]2C[C@H]2F)cc[nH+]1 1338038696 1170405888 /nfs/dbraw/zinc/40/58/88/1170405888.db2.gz YXRSDRPFWNKYNC-DTWKUNHWSA-N 1 2 194.209 1.108 20 0 ADADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2F)cc[nH+]1 1338038697 1170406082 /nfs/dbraw/zinc/40/60/82/1170406082.db2.gz YXRSDRPFWNKYNC-IUCAKERBSA-N 1 2 194.209 1.108 20 0 ADADLO CCCC(=O)Nc1c(C)c[nH+]cc1C 1338992549 1170417336 /nfs/dbraw/zinc/41/73/36/1170417336.db2.gz LKVFKUPEBGIVPJ-UHFFFAOYSA-N 1 2 192.262 1.859 20 0 ADADLO CCc1ccc(N(CC)CCO)[nH+]c1 1339503346 1170420936 /nfs/dbraw/zinc/42/09/36/1170420936.db2.gz XBPJUOPFBBFISS-UHFFFAOYSA-N 1 2 194.278 1.463 20 0 ADADLO CCC(=O)OCc1c[nH+]cn1CC 1344972764 1170466623 /nfs/dbraw/zinc/46/66/23/1170466623.db2.gz RIFGMNJRPCVHQV-UHFFFAOYSA-N 1 2 182.223 1.356 20 0 ADADLO CCCC(=O)OCc1c[nH+]cn1CC 1345997429 1170476311 /nfs/dbraw/zinc/47/63/11/1170476311.db2.gz ZPSYMPNQSHTKIG-UHFFFAOYSA-N 1 2 196.250 1.746 20 0 ADADLO C/C=C(\CC)c1nnc(C[NH+](C)C)o1 1346027552 1170476855 /nfs/dbraw/zinc/47/68/55/1170476855.db2.gz TVIWWNKJIVVBTO-VMPITWQZSA-N 1 2 195.266 1.945 20 0 ADADLO C/C=C(/CC)c1nnc(C[NH+](C)C)o1 1346027553 1170477834 /nfs/dbraw/zinc/47/78/34/1170477834.db2.gz TVIWWNKJIVVBTO-YVMONPNESA-N 1 2 195.266 1.945 20 0 ADADLO CC[C@@H](F)C(=O)Nc1cc[nH+]c(C)c1 1346822938 1170483758 /nfs/dbraw/zinc/48/37/58/1170483758.db2.gz KEZGSHCBBQGMCM-SECBINFHSA-N 1 2 196.225 1.499 20 0 ADADLO CC1(NC(=O)CCc2[nH]cc[nH+]2)CC1 1346745419 1170484321 /nfs/dbraw/zinc/48/43/21/1170484321.db2.gz TYLPYMYZJCEZLH-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO CC[C@H](F)C(=O)Nc1cc[nH+]c(C)c1 1346822939 1170484400 /nfs/dbraw/zinc/48/44/00/1170484400.db2.gz KEZGSHCBBQGMCM-VIFPVBQESA-N 1 2 196.225 1.499 20 0 ADADLO CC[C@@H](F)C(=O)NCc1[nH]c[nH+]c1C 1346883574 1170486219 /nfs/dbraw/zinc/48/62/19/1170486219.db2.gz SPOPDHITIRDXAX-SSDOTTSWSA-N 1 2 199.229 1.082 20 0 ADADLO CC[N@@H+](CCC1CC1)Cc1nnc[nH]1 1347113772 1170488920 /nfs/dbraw/zinc/48/89/20/1170488920.db2.gz KOXIITSTYNASNW-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@H](F)C(=O)NCc1[nH]c[nH+]c1C 1346883576 1170487335 /nfs/dbraw/zinc/48/73/35/1170487335.db2.gz SPOPDHITIRDXAX-ZETCQYMHSA-N 1 2 199.229 1.082 20 0 ADADLO CC[N@H+](CCC1CC1)Cc1nnc[nH]1 1347113772 1170488916 /nfs/dbraw/zinc/48/89/16/1170488916.db2.gz KOXIITSTYNASNW-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CCC1([NH2+]Cc2ncn[nH]2)CCCC1 1347122163 1170488962 /nfs/dbraw/zinc/48/89/62/1170488962.db2.gz XCYYSLXUAUQSAO-UHFFFAOYSA-N 1 2 194.282 1.617 20 0 ADADLO CCn1c[nH+]cc1COC(=O)C(C)C 1347972302 1170497708 /nfs/dbraw/zinc/49/77/08/1170497708.db2.gz NPQSMTVNSUTAPA-UHFFFAOYSA-N 1 2 196.250 1.602 20 0 ADADLO CC[C@@]1(C)CC[N@H+](Cc2nnc[nH]2)C1 1350364015 1170517806 /nfs/dbraw/zinc/51/78/06/1170517806.db2.gz HVFZMKBZEUDNIC-JTQLQIEISA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@]1(C)CC[N@@H+](Cc2nnc[nH]2)C1 1350364015 1170517808 /nfs/dbraw/zinc/51/78/08/1170517808.db2.gz HVFZMKBZEUDNIC-JTQLQIEISA-N 1 2 194.282 1.427 20 0 ADADLO CC[N@@H+](Cc1nnc[nH]1)CC1CCC1 1350370738 1170518544 /nfs/dbraw/zinc/51/85/44/1170518544.db2.gz FTRHCEJBDJAVMH-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC[N@H+](Cc1nnc[nH]1)CC1CCC1 1350370738 1170518548 /nfs/dbraw/zinc/51/85/48/1170518548.db2.gz FTRHCEJBDJAVMH-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC(C)C[N@H+](Cc1nnc[nH]1)C1CC1 1350358987 1170518774 /nfs/dbraw/zinc/51/87/74/1170518774.db2.gz PDVKIGALRZQTJT-UHFFFAOYSA-N 1 2 194.282 1.425 20 0 ADADLO CC(C)C[N@@H+](Cc1nnc[nH]1)C1CC1 1350358987 1170518776 /nfs/dbraw/zinc/51/87/76/1170518776.db2.gz PDVKIGALRZQTJT-UHFFFAOYSA-N 1 2 194.282 1.425 20 0 ADADLO CC[C@]1(C)CC[N@H+](Cc2nnc[nH]2)C1 1350364016 1170519390 /nfs/dbraw/zinc/51/93/90/1170519390.db2.gz HVFZMKBZEUDNIC-SNVBAGLBSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@]1(C)CC[N@@H+](Cc2nnc[nH]2)C1 1350364016 1170519396 /nfs/dbraw/zinc/51/93/96/1170519396.db2.gz HVFZMKBZEUDNIC-SNVBAGLBSA-N 1 2 194.282 1.427 20 0 ADADLO Cc1c[nH+]cc(C)c1NC(=O)C(C)C 1355037497 1170549293 /nfs/dbraw/zinc/54/92/93/1170549293.db2.gz XUYSKMLPWNHSKM-UHFFFAOYSA-N 1 2 192.262 1.715 20 0 ADADLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](F)C1 1473491501 1170595525 /nfs/dbraw/zinc/59/55/25/1170595525.db2.gz WLPAFFRUGCUDEL-DTWKUNHWSA-N 1 2 195.241 1.581 20 0 ADADLO C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](F)C1 1473491501 1170595531 /nfs/dbraw/zinc/59/55/31/1170595531.db2.gz WLPAFFRUGCUDEL-DTWKUNHWSA-N 1 2 195.241 1.581 20 0 ADADLO C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](F)C1 1473491505 1170596654 /nfs/dbraw/zinc/59/66/54/1170596654.db2.gz WLPAFFRUGCUDEL-RKDXNWHRSA-N 1 2 195.241 1.581 20 0 ADADLO C[C@H](c1cnccn1)[N@H+]1CC[C@@H](F)C1 1473491505 1170596658 /nfs/dbraw/zinc/59/66/58/1170596658.db2.gz WLPAFFRUGCUDEL-RKDXNWHRSA-N 1 2 195.241 1.581 20 0 ADADLO Cc1cn[nH]c1C[NH+]1CC2(CCC2)C1 1474568754 1170600636 /nfs/dbraw/zinc/60/06/36/1170600636.db2.gz LKFVJCWXQHZLBK-UHFFFAOYSA-N 1 2 191.278 1.704 20 0 ADADLO CCn1c[nH+]cc1COC(=O)C1CC1 1527007705 1170636832 /nfs/dbraw/zinc/63/68/32/1170636832.db2.gz NMBIAKPOTSNRPB-UHFFFAOYSA-N 1 2 194.234 1.356 20 0 ADADLO C[NH2+]CC(=O)OC[C@@H]1CC=CC[C@@H]1C 1573895141 1170678865 /nfs/dbraw/zinc/67/88/65/1170678865.db2.gz BYZJMISAEKBNQX-UWVGGRQHSA-N 1 2 197.278 1.351 20 0 ADADLO C[NH2+]CC(=O)OC[C@H]1CC=CC[C@H]1C 1573895140 1170679492 /nfs/dbraw/zinc/67/94/92/1170679492.db2.gz BYZJMISAEKBNQX-NXEZZACHSA-N 1 2 197.278 1.351 20 0 ADADLO C[NH2+]CC(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 1573895429 1170679512 /nfs/dbraw/zinc/67/95/12/1170679512.db2.gz KKYZRYJCPCZPNH-OPRDCNLKSA-N 1 2 199.294 1.574 20 0 ADADLO C[NH2+]CC(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 1573895423 1170679542 /nfs/dbraw/zinc/67/95/42/1170679542.db2.gz KKYZRYJCPCZPNH-KXUCPTDWSA-N 1 2 199.294 1.574 20 0 ADADLO C[NH2+]CC(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C 1573895425 1170679696 /nfs/dbraw/zinc/67/96/96/1170679696.db2.gz KKYZRYJCPCZPNH-LPEHRKFASA-N 1 2 199.294 1.574 20 0 ADADLO C[NH2+]CC(=O)OC[C@H]1CC=CC[C@@H]1C 1573895142 1170679835 /nfs/dbraw/zinc/67/98/35/1170679835.db2.gz BYZJMISAEKBNQX-VHSXEESVSA-N 1 2 197.278 1.351 20 0 ADADLO C[NH2+]CC(=O)OC[C@@H]1CC=CC[C@H]1C 1573895143 1170679856 /nfs/dbraw/zinc/67/98/56/1170679856.db2.gz BYZJMISAEKBNQX-ZJUUUORDSA-N 1 2 197.278 1.351 20 0 ADADLO C[NH2+]CC(=O)O[C@@H]1CCC[C@H](C)[C@H]1C 1573895421 1170680052 /nfs/dbraw/zinc/68/00/52/1170680052.db2.gz KKYZRYJCPCZPNH-IVZWLZJFSA-N 1 2 199.294 1.574 20 0 ADADLO CCC(CC)[NH2+][C@H](C)c1c[nH]nn1 1576237978 1170696684 /nfs/dbraw/zinc/69/66/84/1170696684.db2.gz ZFZUTNKRWJURPT-SSDOTTSWSA-N 1 2 182.271 1.644 20 0 ADADLO CCC(CC)[NH2+][C@H](C)c1cn[nH]n1 1576237978 1170696688 /nfs/dbraw/zinc/69/66/88/1170696688.db2.gz ZFZUTNKRWJURPT-SSDOTTSWSA-N 1 2 182.271 1.644 20 0 ADADLO CCC(CC)[NH2+][C@@H](C)c1c[nH]nn1 1576237994 1170697280 /nfs/dbraw/zinc/69/72/80/1170697280.db2.gz ZFZUTNKRWJURPT-ZETCQYMHSA-N 1 2 182.271 1.644 20 0 ADADLO CCC(CC)[NH2+][C@@H](C)c1cn[nH]n1 1576237994 1170697283 /nfs/dbraw/zinc/69/72/83/1170697283.db2.gz ZFZUTNKRWJURPT-ZETCQYMHSA-N 1 2 182.271 1.644 20 0 ADADLO C[C@]1(CN2CCCC[NH2+]2)CCCCO1 1576503174 1170699152 /nfs/dbraw/zinc/69/91/52/1170699152.db2.gz NMKLZEGELLYAJG-LLVKDONJSA-N 1 2 198.310 1.546 20 0 ADADLO CCC[N@H+](Cc1cnn[nH]1)C1CC1 1576482133 1170700685 /nfs/dbraw/zinc/70/06/85/1170700685.db2.gz GMUMQAPAUAZZAI-UHFFFAOYSA-N 1 2 180.255 1.179 20 0 ADADLO CCC[N@@H+](Cc1cnn[nH]1)C1CC1 1576482133 1170700690 /nfs/dbraw/zinc/70/06/90/1170700690.db2.gz GMUMQAPAUAZZAI-UHFFFAOYSA-N 1 2 180.255 1.179 20 0 ADADLO CCC[N@H+](Cc1c[nH]nn1)C1CC1 1576482133 1170700695 /nfs/dbraw/zinc/70/06/95/1170700695.db2.gz GMUMQAPAUAZZAI-UHFFFAOYSA-N 1 2 180.255 1.179 20 0 ADADLO CCC[N@@H+](Cc1c[nH]nn1)C1CC1 1576482133 1170700701 /nfs/dbraw/zinc/70/07/01/1170700701.db2.gz GMUMQAPAUAZZAI-UHFFFAOYSA-N 1 2 180.255 1.179 20 0 ADADLO C[C@@]1(CN2CCCC[NH2+]2)CCCCO1 1576503175 1170701293 /nfs/dbraw/zinc/70/12/93/1170701293.db2.gz NMKLZEGELLYAJG-NSHDSACASA-N 1 2 198.310 1.546 20 0 ADADLO c1nn[nH]c1C[N@@H+]1C[C@H]2CCCC[C@H]21 1619818539 1170819107 /nfs/dbraw/zinc/81/91/07/1170819107.db2.gz DXRRAWCJFQHHSV-PSASIEDQSA-N 1 2 192.266 1.179 20 0 ADADLO c1nn[nH]c1C[N@H+]1C[C@H]2CCCC[C@H]21 1619818539 1170819118 /nfs/dbraw/zinc/81/91/18/1170819118.db2.gz DXRRAWCJFQHHSV-PSASIEDQSA-N 1 2 192.266 1.179 20 0 ADADLO c1[nH]nnc1C[N@@H+]1C[C@H]2CCCC[C@H]21 1619818539 1170819124 /nfs/dbraw/zinc/81/91/24/1170819124.db2.gz DXRRAWCJFQHHSV-PSASIEDQSA-N 1 2 192.266 1.179 20 0 ADADLO c1[nH]nnc1C[N@H+]1C[C@H]2CCCC[C@H]21 1619818539 1170819132 /nfs/dbraw/zinc/81/91/32/1170819132.db2.gz DXRRAWCJFQHHSV-PSASIEDQSA-N 1 2 192.266 1.179 20 0 ADADLO CC(C)[N@H+](C)CC(F)F 1652459347 1170897017 /nfs/dbraw/zinc/89/70/17/1170897017.db2.gz DBDPHMBPJWGPFI-UHFFFAOYSA-N 1 2 137.173 1.592 20 0 ADADLO CC(C)[N@@H+](C)CC(F)F 1652459347 1170897029 /nfs/dbraw/zinc/89/70/29/1170897029.db2.gz DBDPHMBPJWGPFI-UHFFFAOYSA-N 1 2 137.173 1.592 20 0 ADADLO CCc1cn(Cc2ccn(C)n2)c[nH+]1 1653083684 1170906307 /nfs/dbraw/zinc/90/63/07/1170906307.db2.gz NPEFHQPBLJRTII-UHFFFAOYSA-N 1 2 190.250 1.227 20 0 ADADLO C[C@H](c1cnccn1)[N@@H+]1CC[C@H](F)C1 1654502096 1170917144 /nfs/dbraw/zinc/91/71/44/1170917144.db2.gz WLPAFFRUGCUDEL-BDAKNGLRSA-N 1 2 195.241 1.581 20 0 ADADLO C[C@H](c1cnccn1)[N@H+]1CC[C@H](F)C1 1654502096 1170917150 /nfs/dbraw/zinc/91/71/50/1170917150.db2.gz WLPAFFRUGCUDEL-BDAKNGLRSA-N 1 2 195.241 1.581 20 0 ADADLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](F)C1 1654502097 1170919679 /nfs/dbraw/zinc/91/96/79/1170919679.db2.gz WLPAFFRUGCUDEL-IUCAKERBSA-N 1 2 195.241 1.581 20 0 ADADLO C[C@@H](c1cnccn1)[N@H+]1CC[C@H](F)C1 1654502097 1170919686 /nfs/dbraw/zinc/91/96/86/1170919686.db2.gz WLPAFFRUGCUDEL-IUCAKERBSA-N 1 2 195.241 1.581 20 0 ADADLO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)nn1 1658148128 1170930887 /nfs/dbraw/zinc/93/08/87/1170930887.db2.gz HQKNIGXIUAFQHY-VIFPVBQESA-N 1 2 195.241 1.329 20 0 ADADLO Cc1ccc(C[N@H+]2CC[C@H](F)C2)nn1 1658148128 1170930890 /nfs/dbraw/zinc/93/08/90/1170930890.db2.gz HQKNIGXIUAFQHY-VIFPVBQESA-N 1 2 195.241 1.329 20 0 ADADLO Fc1cnccc1Cn1cc[nH+]c1 1657596969 1170930918 /nfs/dbraw/zinc/93/09/18/1170930918.db2.gz PMUVIDLDBGKMEX-UHFFFAOYSA-N 1 2 177.182 1.466 20 0 ADADLO Cc1cnc(C[NH+]2CC3(CCC3)C2)o1 1659981370 1170942505 /nfs/dbraw/zinc/94/25/05/1170942505.db2.gz CECVYIDHRWZJPY-UHFFFAOYSA-N 1 2 192.262 1.969 20 0 ADADLO CCn1ccc(C[NH+]2CC(C)(C)C2)n1 1665462867 1170953859 /nfs/dbraw/zinc/95/38/59/1170953859.db2.gz MUKUIYHWCTZIHY-UHFFFAOYSA-N 1 2 193.294 1.745 20 0 ADADLO CCC(CC)C(=O)NC1C[NH+](CC)C1 1713807723 1170963340 /nfs/dbraw/zinc/96/33/40/1170963340.db2.gz KVQQNJSJKUQNKT-UHFFFAOYSA-N 1 2 198.310 1.243 20 0 ADADLO CCC[C@H](C)C(=O)NC1C[NH+](CC)C1 1753372921 1170977041 /nfs/dbraw/zinc/97/70/41/1170977041.db2.gz FSVUPSVZVABWBR-VIFPVBQESA-N 1 2 198.310 1.243 20 0 ADADLO CCC[C@@H](C)C(=O)NC1C[NH+](CC)C1 1753372920 1170977240 /nfs/dbraw/zinc/97/72/40/1170977240.db2.gz FSVUPSVZVABWBR-SECBINFHSA-N 1 2 198.310 1.243 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)C1CCCCC1 687716292 571691802 /nfs/dbraw/zinc/69/18/02/571691802.db2.gz CCLLGPDVSZNKME-UHFFFAOYSA-N 1 2 194.282 1.569 20 0 ADADLO c1c[nH]c(C[NH2+]Cc2cncs2)n1 70646390 571721942 /nfs/dbraw/zinc/72/19/42/571721942.db2.gz DCFGRWJPSZSKQC-UHFFFAOYSA-N 1 2 194.263 1.156 20 0 ADADLO CCc1ccc(CCCO)[nH+]c1 38337430 571754811 /nfs/dbraw/zinc/75/48/11/571754811.db2.gz BCSUQMWKCCWDRN-UHFFFAOYSA-N 1 2 165.236 1.569 20 0 ADADLO CC(C)c1nnc(C[NH+](C)C)o1 687798803 571760522 /nfs/dbraw/zinc/76/05/22/571760522.db2.gz SUJQRYCZGUGRNG-UHFFFAOYSA-N 1 2 169.228 1.255 20 0 ADADLO Cl/C=C\C[NH2+]Cc1csnn1 398289341 571774527 /nfs/dbraw/zinc/77/45/27/571774527.db2.gz ORUMJWXGUKEMJA-UPHRSURJSA-N 1 2 189.671 1.380 20 0 ADADLO CC[N@H+](Cc1nonc1C)C1CC1 687801229 571791003 /nfs/dbraw/zinc/79/10/03/571791003.db2.gz WWWNYRGOWHJNCI-UHFFFAOYSA-N 1 2 181.239 1.362 20 0 ADADLO CC[N@@H+](Cc1nonc1C)C1CC1 687801229 571791007 /nfs/dbraw/zinc/79/10/07/571791007.db2.gz WWWNYRGOWHJNCI-UHFFFAOYSA-N 1 2 181.239 1.362 20 0 ADADLO CC[C@H](C)Oc1ccc(N)[nH+]c1 37715659 571799623 /nfs/dbraw/zinc/79/96/23/571799623.db2.gz YTAAMNDFXBRWEA-ZETCQYMHSA-N 1 2 166.224 1.841 20 0 ADADLO Cc1ccc(-c2[nH]cc[nH+]2)c(N)c1 104467147 571798082 /nfs/dbraw/zinc/79/80/82/571798082.db2.gz MSDQDWINXSQYEN-UHFFFAOYSA-N 1 2 173.219 1.967 20 0 ADADLO CC[C@@H](C)Oc1ccc(N)[nH+]c1 37715658 571800178 /nfs/dbraw/zinc/80/01/78/571800178.db2.gz YTAAMNDFXBRWEA-SSDOTTSWSA-N 1 2 166.224 1.841 20 0 ADADLO COc1ccccc1[C@@H]1[NH2+]CCC1=O 107176421 571802057 /nfs/dbraw/zinc/80/20/57/571802057.db2.gz HPVZLCFUWRWYQB-NSHDSACASA-N 1 2 191.230 1.299 20 0 ADADLO COc1ccccc1[C@H]1[NH2+]CCC1=O 107176418 571802444 /nfs/dbraw/zinc/80/24/44/571802444.db2.gz HPVZLCFUWRWYQB-LLVKDONJSA-N 1 2 191.230 1.299 20 0 ADADLO O=C1CC[NH2+][C@@H]1c1cc(F)ccc1F 107187295 571802953 /nfs/dbraw/zinc/80/29/53/571802953.db2.gz OTYOKMNFUCDNAF-SNVBAGLBSA-N 1 2 197.184 1.568 20 0 ADADLO O=C1CC[NH2+][C@H]1c1cc(F)ccc1F 107187297 571803135 /nfs/dbraw/zinc/80/31/35/571803135.db2.gz OTYOKMNFUCDNAF-JTQLQIEISA-N 1 2 197.184 1.568 20 0 ADADLO CC1CCC([NH2+]Cc2ncn[nH]2)CC1 37919118 571814739 /nfs/dbraw/zinc/81/47/39/571814739.db2.gz IYQULTJPFITZDC-UHFFFAOYSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncn[nH]1 37919132 571817359 /nfs/dbraw/zinc/81/73/59/571817359.db2.gz JDIBVPXVLYDLNP-BDAKNGLRSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn[nH]1 37919134 571815751 /nfs/dbraw/zinc/81/57/51/571815751.db2.gz JDIBVPXVLYDLNP-RKDXNWHRSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncn[nH]1 37919133 571817175 /nfs/dbraw/zinc/81/71/75/571817175.db2.gz JDIBVPXVLYDLNP-IUCAKERBSA-N 1 2 194.282 1.473 20 0 ADADLO c1n[nH]c(C[NH2+]C2CCCCC2)n1 37919045 571817490 /nfs/dbraw/zinc/81/74/90/571817490.db2.gz VGLFDCPSFSOPQQ-UHFFFAOYSA-N 1 2 180.255 1.227 20 0 ADADLO C[C@H]1CCCC[C@H]1[NH2+]Cc1ncn[nH]1 37919135 571817963 /nfs/dbraw/zinc/81/79/63/571817963.db2.gz JDIBVPXVLYDLNP-DTWKUNHWSA-N 1 2 194.282 1.473 20 0 ADADLO c1n[nH]c(C[NH2+]C2CCCCCC2)n1 37919120 571818247 /nfs/dbraw/zinc/81/82/47/571818247.db2.gz NJELHRNLXRYRRO-UHFFFAOYSA-N 1 2 194.282 1.617 20 0 ADADLO CCCC(=O)NC1=[NH+]CCS1 5857544 571851078 /nfs/dbraw/zinc/85/10/78/571851078.db2.gz JWFSGEUBZYPHBO-UHFFFAOYSA-N 1 2 172.253 1.006 20 0 ADADLO CCCCC(=O)NC1=[NH+]CCS1 5859597 571851209 /nfs/dbraw/zinc/85/12/09/571851209.db2.gz IKCVROVFPNYMGL-UHFFFAOYSA-N 1 2 186.280 1.396 20 0 ADADLO C/C=C(\C)C(=O)NC1=[NH+]CCS1 379313293 571853162 /nfs/dbraw/zinc/85/31/62/571853162.db2.gz GLFRZEVIKKSREI-ZZXKWVIFSA-N 1 2 184.264 1.172 20 0 ADADLO C[C@@H]1OCC[N@H+](C/C=C\Cl)[C@H]1C 379312413 571853370 /nfs/dbraw/zinc/85/33/70/571853370.db2.gz ZNXJVFRDAORZSA-HIYAPSCVSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@@H]1OCC[N@@H+](C/C=C\Cl)[C@H]1C 379312413 571853373 /nfs/dbraw/zinc/85/33/73/571853373.db2.gz ZNXJVFRDAORZSA-HIYAPSCVSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@@H]1OCC[N@H+](C/C=C\Cl)[C@@H]1C 379312414 571853980 /nfs/dbraw/zinc/85/39/80/571853980.db2.gz ZNXJVFRDAORZSA-NESOUNQCSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@@H]1OCC[N@@H+](C/C=C\Cl)[C@@H]1C 379312414 571853982 /nfs/dbraw/zinc/85/39/82/571853982.db2.gz ZNXJVFRDAORZSA-NESOUNQCSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@@H](CCCO)Nc1cccc[nH+]1 87360523 571888321 /nfs/dbraw/zinc/88/83/21/571888321.db2.gz PYZOVPJISQYKNB-VIFPVBQESA-N 1 2 180.251 1.655 20 0 ADADLO Cc1cc(N[C@@H](C)CCCO)nc[nH+]1 87360509 571888983 /nfs/dbraw/zinc/88/89/83/571888983.db2.gz BUISYLJGZZNDSG-QMMMGPOBSA-N 1 2 195.266 1.358 20 0 ADADLO Cc1cc(N[C@H](C)CCCO)nc[nH+]1 87360510 571889731 /nfs/dbraw/zinc/88/97/31/571889731.db2.gz BUISYLJGZZNDSG-MRVPVSSYSA-N 1 2 195.266 1.358 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@@H+]1C/C=C\Cl 379319642 571907066 /nfs/dbraw/zinc/90/70/66/571907066.db2.gz RNSOMAMSYGAZQC-HNRDENNGSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@@H]1C[N@H+](C/C=C\Cl)[C@H](C)CO1 379319643 571906981 /nfs/dbraw/zinc/90/69/81/571906981.db2.gz RNSOMAMSYGAZQC-UREXNXCXSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@@H]1C[N@@H+](C/C=C\Cl)[C@H](C)CO1 379319643 571906984 /nfs/dbraw/zinc/90/69/84/571906984.db2.gz RNSOMAMSYGAZQC-UREXNXCXSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@H+]1C/C=C\Cl 379319642 571907068 /nfs/dbraw/zinc/90/70/68/571907068.db2.gz RNSOMAMSYGAZQC-HNRDENNGSA-N 1 2 189.686 1.848 20 0 ADADLO CC/C=C(\C)C(=O)NCc1c[nH+]c[nH]1 214687101 571944282 /nfs/dbraw/zinc/94/42/82/571944282.db2.gz VCVPYVKYEWLERY-XBXARRHUSA-N 1 2 193.250 1.382 20 0 ADADLO CCC=C(C)C(=O)NCc1c[nH]c[nH+]1 214687101 571944283 /nfs/dbraw/zinc/94/42/83/571944283.db2.gz VCVPYVKYEWLERY-XBXARRHUSA-N 1 2 193.250 1.382 20 0 ADADLO CC=CC=CC(=O)NCc1c[nH]c[nH+]1 214663438 571945310 /nfs/dbraw/zinc/94/53/10/571945310.db2.gz DKYOEZLYHWAHEX-IAROGAJJSA-N 1 2 191.234 1.158 20 0 ADADLO CC=CC=CC(=O)NCc1c[nH+]c[nH]1 214663438 571945306 /nfs/dbraw/zinc/94/53/06/571945306.db2.gz DKYOEZLYHWAHEX-IAROGAJJSA-N 1 2 191.234 1.158 20 0 ADADLO c1csc(NCCn2cc[nH+]c2)n1 41041725 571969412 /nfs/dbraw/zinc/96/94/12/571969412.db2.gz LOSMRDNHYMEPKD-UHFFFAOYSA-N 1 2 194.263 1.452 20 0 ADADLO CON=C(C)c1cn(C)c(C)[nH+]1 388404330 571984217 /nfs/dbraw/zinc/98/42/17/571984217.db2.gz QYXNUKNLDFDEED-UHFFFAOYSA-N 1 2 167.212 1.099 20 0 ADADLO C[C@H]1C[N@H+](C/C=C/Cl)C[C@@H](C)O1 41363488 571986133 /nfs/dbraw/zinc/98/61/33/571986133.db2.gz DPENMZWXGQVXRP-WTSWQZHKSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@H]1C[N@@H+](C/C=C/Cl)C[C@@H](C)O1 41363488 571986135 /nfs/dbraw/zinc/98/61/35/571986135.db2.gz DPENMZWXGQVXRP-WTSWQZHKSA-N 1 2 189.686 1.848 20 0 ADADLO Cn1c[nH+]c(CNCC(C)(F)F)c1 393475270 572003521 /nfs/dbraw/zinc/00/35/21/572003521.db2.gz RPMFSRDFRVYTHT-UHFFFAOYSA-N 1 2 189.209 1.165 20 0 ADADLO CC1(C)OC[C@H](Cn2cc[nH+]c2)O1 33495633 572017662 /nfs/dbraw/zinc/01/76/62/572017662.db2.gz CCDVNDSSFXXPFA-QMMMGPOBSA-N 1 2 182.223 1.035 20 0 ADADLO c1ncc(C[NH2+]Cc2ccoc2)[nH]1 82394416 572024110 /nfs/dbraw/zinc/02/41/10/572024110.db2.gz OFDPUQINJBZGAI-UHFFFAOYSA-N 1 2 177.207 1.293 20 0 ADADLO c1c[nH+]c(CNCc2cscn2)[nH]1 82395116 572024877 /nfs/dbraw/zinc/02/48/77/572024877.db2.gz OFNCUGXOPGMHRT-UHFFFAOYSA-N 1 2 194.263 1.156 20 0 ADADLO CCCOc1cc[nH+]cc1 34363701 572077829 /nfs/dbraw/zinc/07/78/29/572077829.db2.gz NZXXIBSFLIDCPE-UHFFFAOYSA-N 1 2 137.182 1.870 20 0 ADADLO CC(C)[N@H+](Cc1cnsn1)C1CC1 687821468 572080654 /nfs/dbraw/zinc/08/06/54/572080654.db2.gz DHHYGEJNNLKEDW-UHFFFAOYSA-N 1 2 197.307 1.911 20 0 ADADLO CC(C)[N@@H+](Cc1cnsn1)C1CC1 687821468 572080659 /nfs/dbraw/zinc/08/06/59/572080659.db2.gz DHHYGEJNNLKEDW-UHFFFAOYSA-N 1 2 197.307 1.911 20 0 ADADLO CCC[NH2+][C@H](C)C(=O)OC(C)(C)C 82777028 572112268 /nfs/dbraw/zinc/11/22/68/572112268.db2.gz XZWACVICCNBLSU-MRVPVSSYSA-N 1 2 187.283 1.716 20 0 ADADLO CC(C)(C)CC[NH2+][C@H]1CCOC1=O 388666896 572179968 /nfs/dbraw/zinc/17/99/68/572179968.db2.gz WVPYJFLUMYEZGP-QMMMGPOBSA-N 1 2 185.267 1.328 20 0 ADADLO CC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 70162705 572182863 /nfs/dbraw/zinc/18/28/63/572182863.db2.gz JHSLVKUFQZFTQW-DTWKUNHWSA-N 1 2 195.266 1.359 20 0 ADADLO CC(C)CNC(=O)[C@H](C)n1cc[nH+]c1 70162532 572183039 /nfs/dbraw/zinc/18/30/39/572183039.db2.gz KOJWPSBRYWBRNH-VIFPVBQESA-N 1 2 195.266 1.216 20 0 ADADLO CCN(CC)C(=O)[C@@H](C)n1cc[nH+]c1 70162708 572183267 /nfs/dbraw/zinc/18/32/67/572183267.db2.gz YRTDTZNFTSOLLF-SECBINFHSA-N 1 2 195.266 1.313 20 0 ADADLO CC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 70162707 572183523 /nfs/dbraw/zinc/18/35/23/572183523.db2.gz JHSLVKUFQZFTQW-IUCAKERBSA-N 1 2 195.266 1.359 20 0 ADADLO CCN(CC)C(=O)[C@H](C)n1cc[nH+]c1 70162709 572183714 /nfs/dbraw/zinc/18/37/14/572183714.db2.gz YRTDTZNFTSOLLF-VIFPVBQESA-N 1 2 195.266 1.313 20 0 ADADLO CC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 70162706 572183722 /nfs/dbraw/zinc/18/37/22/572183722.db2.gz JHSLVKUFQZFTQW-BDAKNGLRSA-N 1 2 195.266 1.359 20 0 ADADLO CCCCNC(=O)[C@@H](C)n1cc[nH+]c1 70162710 572183916 /nfs/dbraw/zinc/18/39/16/572183916.db2.gz OYVJZZYGXGUWCT-SECBINFHSA-N 1 2 195.266 1.360 20 0 ADADLO CC(C)CNC(=O)[C@@H](C)n1cc[nH+]c1 70162531 572183947 /nfs/dbraw/zinc/18/39/47/572183947.db2.gz KOJWPSBRYWBRNH-SECBINFHSA-N 1 2 195.266 1.216 20 0 ADADLO CC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 70162704 572184595 /nfs/dbraw/zinc/18/45/95/572184595.db2.gz JHSLVKUFQZFTQW-RKDXNWHRSA-N 1 2 195.266 1.359 20 0 ADADLO CCCCNC(=O)[C@H](C)n1cc[nH+]c1 70162711 572184810 /nfs/dbraw/zinc/18/48/10/572184810.db2.gz OYVJZZYGXGUWCT-VIFPVBQESA-N 1 2 195.266 1.360 20 0 ADADLO CC[C@H]([NH2+]Cc1ncn[nH]1)C1CC1 83055675 572189393 /nfs/dbraw/zinc/18/93/93/572189393.db2.gz NUPXBULEOQVBEL-QMMMGPOBSA-N 1 2 180.255 1.083 20 0 ADADLO CC[C@@H]([NH2+]Cc1ncn[nH]1)C1CC1 83055677 572189724 /nfs/dbraw/zinc/18/97/24/572189724.db2.gz NUPXBULEOQVBEL-MRVPVSSYSA-N 1 2 180.255 1.083 20 0 ADADLO C[C@H]([NH2+]CC(F)F)c1cccnc1 37755891 572190313 /nfs/dbraw/zinc/19/03/13/572190313.db2.gz UBKRCBNLXVQTGI-ZETCQYMHSA-N 1 2 186.205 1.997 20 0 ADADLO CC(C)COc1ccc(N)[nH+]c1 19869209 572205078 /nfs/dbraw/zinc/20/50/78/572205078.db2.gz YLFWVHIBONWQJI-UHFFFAOYSA-N 1 2 166.224 1.699 20 0 ADADLO CC(C)c1cnc(C[N@H+](C)CCO)o1 687795573 572215334 /nfs/dbraw/zinc/21/53/34/572215334.db2.gz WVWWWHSQTZLGRI-UHFFFAOYSA-N 1 2 198.266 1.222 20 0 ADADLO CC(C)c1cnc(C[N@@H+](C)CCO)o1 687795573 572215337 /nfs/dbraw/zinc/21/53/37/572215337.db2.gz WVWWWHSQTZLGRI-UHFFFAOYSA-N 1 2 198.266 1.222 20 0 ADADLO c1cnc2nc(-n3cc[nH+]c3)ccc2n1 83419878 572219367 /nfs/dbraw/zinc/21/93/67/572219367.db2.gz GTBNGQYQWZINTA-UHFFFAOYSA-N 1 2 197.201 1.211 20 0 ADADLO CC(C)COc1cc[nH+]cc1N 20370713 572219797 /nfs/dbraw/zinc/21/97/97/572219797.db2.gz HFBURFRJYLIVAW-UHFFFAOYSA-N 1 2 166.224 1.699 20 0 ADADLO c1nnc(C[NH2+]Cc2ccsc2)[nH]1 37919160 572236945 /nfs/dbraw/zinc/23/69/45/572236945.db2.gz SYWBTTNEVREBEU-UHFFFAOYSA-N 1 2 194.263 1.156 20 0 ADADLO c1csc(C[NH2+]Cc2nnc[nH]2)c1 37919150 572237615 /nfs/dbraw/zinc/23/76/15/572237615.db2.gz NGZUEBZCSLBIPL-UHFFFAOYSA-N 1 2 194.263 1.156 20 0 ADADLO c1n[nH]c(C[NH2+]CC2CCCCC2)n1 37919162 572237774 /nfs/dbraw/zinc/23/77/74/572237774.db2.gz VAFKNXDZVXUOOB-UHFFFAOYSA-N 1 2 194.282 1.475 20 0 ADADLO c1coc(C[NH2+]Cc2cnccn2)c1 37927552 572245455 /nfs/dbraw/zinc/24/54/55/572245455.db2.gz UMPRPFHPBAGPFP-UHFFFAOYSA-N 1 2 189.218 1.359 20 0 ADADLO Cc1cnc(C[NH2+]C/C=C\Cl)o1 393374174 572251355 /nfs/dbraw/zinc/25/13/55/572251355.db2.gz RVKXAVLCGHUDBN-IHWYPQMZSA-N 1 2 186.642 1.825 20 0 ADADLO CC(C)OC(=O)C[N@H+](C)C1CC1 48068968 572247951 /nfs/dbraw/zinc/24/79/51/572247951.db2.gz JNBRUICVTDOHAO-UHFFFAOYSA-N 1 2 171.240 1.032 20 0 ADADLO CC(C)OC(=O)C[N@@H+](C)C1CC1 48068968 572247953 /nfs/dbraw/zinc/24/79/53/572247953.db2.gz JNBRUICVTDOHAO-UHFFFAOYSA-N 1 2 171.240 1.032 20 0 ADADLO C[N@H+](C/C=C\Cl)Cc1cn[nH]c1 307998425 572360409 /nfs/dbraw/zinc/36/04/09/572360409.db2.gz XVDOKPQLOMPVCG-IHWYPQMZSA-N 1 2 185.658 1.594 20 0 ADADLO C[N@@H+](C/C=C\Cl)Cc1cn[nH]c1 307998425 572360413 /nfs/dbraw/zinc/36/04/13/572360413.db2.gz XVDOKPQLOMPVCG-IHWYPQMZSA-N 1 2 185.658 1.594 20 0 ADADLO C[N@H+](C/C=C/Cl)Cc1cn[nH]c1 307998426 572362299 /nfs/dbraw/zinc/36/22/99/572362299.db2.gz XVDOKPQLOMPVCG-NSCUHMNNSA-N 1 2 185.658 1.594 20 0 ADADLO C[N@@H+](C/C=C/Cl)Cc1cn[nH]c1 307998426 572362300 /nfs/dbraw/zinc/36/23/00/572362300.db2.gz XVDOKPQLOMPVCG-NSCUHMNNSA-N 1 2 185.658 1.594 20 0 ADADLO Cc1nc(C[NH2+]CCF)sc1C 307999887 572365099 /nfs/dbraw/zinc/36/50/99/572365099.db2.gz GKUKVOYGLARYHK-UHFFFAOYSA-N 1 2 188.271 1.819 20 0 ADADLO CN(C/C=C\Cl)Cc1[nH]cc[nH+]1 308004188 572378008 /nfs/dbraw/zinc/37/80/08/572378008.db2.gz DOAGTTFGKIQYGG-IHWYPQMZSA-N 1 2 185.658 1.594 20 0 ADADLO CN(C/C=C/Cl)Cc1[nH]cc[nH+]1 308004190 572379029 /nfs/dbraw/zinc/37/90/29/572379029.db2.gz DOAGTTFGKIQYGG-NSCUHMNNSA-N 1 2 185.658 1.594 20 0 ADADLO c1cc(C[NH2+]Cc2ccon2)c[nH]1 87222726 572403463 /nfs/dbraw/zinc/40/34/63/572403463.db2.gz LQAKTPZVDSXKHC-UHFFFAOYSA-N 1 2 177.207 1.293 20 0 ADADLO CC(=O)C[N@H+](C)CCC(F)(F)F 83889982 572440132 /nfs/dbraw/zinc/44/01/32/572440132.db2.gz YHSMBCKLOBODGK-UHFFFAOYSA-N 1 2 183.173 1.460 20 0 ADADLO CC(=O)C[N@@H+](C)CCC(F)(F)F 83889982 572440138 /nfs/dbraw/zinc/44/01/38/572440138.db2.gz YHSMBCKLOBODGK-UHFFFAOYSA-N 1 2 183.173 1.460 20 0 ADADLO CCn1cc[nH+]c1[C@@H]1CCC[C@@H]1O 69048522 572468118 /nfs/dbraw/zinc/46/81/18/572468118.db2.gz XCRGFZRJTPRDSW-BDAKNGLRSA-N 1 2 180.251 1.531 20 0 ADADLO CCn1cc[nH+]c1[C@@H]1CCC[C@H]1O 69048524 572466447 /nfs/dbraw/zinc/46/64/47/572466447.db2.gz XCRGFZRJTPRDSW-RKDXNWHRSA-N 1 2 180.251 1.531 20 0 ADADLO CCn1cc[nH+]c1[C@H]1CCC[C@H]1O 69048525 572466794 /nfs/dbraw/zinc/46/67/94/572466794.db2.gz XCRGFZRJTPRDSW-DTWKUNHWSA-N 1 2 180.251 1.531 20 0 ADADLO CCn1cc[nH+]c1[C@H]1CCC[C@@H]1O 69048523 572467626 /nfs/dbraw/zinc/46/76/26/572467626.db2.gz XCRGFZRJTPRDSW-IUCAKERBSA-N 1 2 180.251 1.531 20 0 ADADLO CC=CC=CC(=O)NCc1c[nH+]c[nH]1 84081603 572495444 /nfs/dbraw/zinc/49/54/44/572495444.db2.gz DKYOEZLYHWAHEX-MQQKCMAXSA-N 1 2 191.234 1.158 20 0 ADADLO CC=CC=CC(=O)NCc1c[nH]c[nH+]1 84081603 572495448 /nfs/dbraw/zinc/49/54/48/572495448.db2.gz DKYOEZLYHWAHEX-MQQKCMAXSA-N 1 2 191.234 1.158 20 0 ADADLO CCC=C(C)C(=O)NCc1c[nH+]c[nH]1 84081793 572495509 /nfs/dbraw/zinc/49/55/09/572495509.db2.gz VCVPYVKYEWLERY-YWEYNIOJSA-N 1 2 193.250 1.382 20 0 ADADLO CC/C=C(/C)C(=O)NCc1c[nH]c[nH+]1 84081793 572495512 /nfs/dbraw/zinc/49/55/12/572495512.db2.gz VCVPYVKYEWLERY-YWEYNIOJSA-N 1 2 193.250 1.382 20 0 ADADLO Cc1[nH+]c(C2CC2)nc(N)c1C 45628394 572563247 /nfs/dbraw/zinc/56/32/47/572563247.db2.gz AOJNFRXGCQLORN-UHFFFAOYSA-N 1 2 163.224 1.553 20 0 ADADLO Cc1[nH+]c(C(C)C)nc(N)c1C 45628393 572564766 /nfs/dbraw/zinc/56/47/66/572564766.db2.gz KMXUJPMPBYRUDU-UHFFFAOYSA-N 1 2 165.240 1.799 20 0 ADADLO C/C=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1 308081411 572636074 /nfs/dbraw/zinc/63/60/74/572636074.db2.gz KGQJTMJJRUNHAG-KFOINNEUSA-N 1 2 179.223 1.163 20 0 ADADLO CC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 308081411 572636080 /nfs/dbraw/zinc/63/60/80/572636080.db2.gz KGQJTMJJRUNHAG-KFOINNEUSA-N 1 2 179.223 1.163 20 0 ADADLO Cn1c(Cl)cnc1Cn1cc[nH+]c1 70162516 572645992 /nfs/dbraw/zinc/64/59/92/572645992.db2.gz UTRCKYUOCPHCIK-UHFFFAOYSA-N 1 2 196.641 1.318 20 0 ADADLO C[C@H](C(=O)NC(C)(C)C)n1cc[nH+]c1 70162528 572647736 /nfs/dbraw/zinc/64/77/36/572647736.db2.gz IPINMAONYLANTE-MRVPVSSYSA-N 1 2 195.266 1.359 20 0 ADADLO C[C@@H](C(=O)NC(C)(C)C)n1cc[nH+]c1 70162527 572648423 /nfs/dbraw/zinc/64/84/23/572648423.db2.gz IPINMAONYLANTE-QMMMGPOBSA-N 1 2 195.266 1.359 20 0 ADADLO c1ccc(N[C@H]2C[C@H]3CC[C@@H]2O3)[nH+]c1 87689658 572681782 /nfs/dbraw/zinc/68/17/82/572681782.db2.gz MXFXJOMGOCEORZ-UTLUCORTSA-N 1 2 190.246 1.813 20 0 ADADLO CCC[C@@H](C)N(C)c1cc(N)nc[nH+]1 87813434 572721897 /nfs/dbraw/zinc/72/18/97/572721897.db2.gz FYKSCZURHVPXQO-MRVPVSSYSA-N 1 2 194.282 1.684 20 0 ADADLO c1coc(C[NH2+]Cc2cnc[nH]2)c1 54762815 572722175 /nfs/dbraw/zinc/72/21/75/572722175.db2.gz XWHXCSBQYUCSNA-UHFFFAOYSA-N 1 2 177.207 1.293 20 0 ADADLO CCC[C@H](C)N(C)c1cc(N)nc[nH+]1 87813436 572724661 /nfs/dbraw/zinc/72/46/61/572724661.db2.gz FYKSCZURHVPXQO-QMMMGPOBSA-N 1 2 194.282 1.684 20 0 ADADLO Cl/C=C\C[NH2+]Cc1ccon1 307903088 572746500 /nfs/dbraw/zinc/74/65/00/572746500.db2.gz XROZBAYBVZCIHV-IWQZZHSRSA-N 1 2 172.615 1.517 20 0 ADADLO Cc1[nH+]cccc1Cn1cc(N)cn1 307690478 572753421 /nfs/dbraw/zinc/75/34/21/572753421.db2.gz OVBNYSZSQQGMKU-UHFFFAOYSA-N 1 2 188.234 1.217 20 0 ADADLO CC[NH2+]Cc1noc(C2(C)CC2)n1 308126760 572773968 /nfs/dbraw/zinc/77/39/68/572773968.db2.gz BIOXAYYKAQKSOJ-UHFFFAOYSA-N 1 2 181.239 1.231 20 0 ADADLO Fc1ccc(C[NH2+]CC(F)F)cn1 308135696 572818560 /nfs/dbraw/zinc/81/85/60/572818560.db2.gz NXVXBMJLZPWBFB-UHFFFAOYSA-N 1 2 190.168 1.575 20 0 ADADLO CC[N@H+](CCO)C/C(Cl)=C/Cl 86001416 572841546 /nfs/dbraw/zinc/84/15/46/572841546.db2.gz JVUMCGCFSSZMSD-ALCCZGGFSA-N 1 2 198.093 1.620 20 0 ADADLO CC[N@@H+](CCO)C/C(Cl)=C/Cl 86001416 572841550 /nfs/dbraw/zinc/84/15/50/572841550.db2.gz JVUMCGCFSSZMSD-ALCCZGGFSA-N 1 2 198.093 1.620 20 0 ADADLO CCCc1nnc(C[NH+](C)C)o1 307960738 572851511 /nfs/dbraw/zinc/85/15/11/572851511.db2.gz WKFQMPKKXPPKLK-UHFFFAOYSA-N 1 2 169.228 1.084 20 0 ADADLO CC(C)(CF)[NH2+]Cc1c[nH]cn1 307963025 572859135 /nfs/dbraw/zinc/85/91/35/572859135.db2.gz NXQTTZPMYADVNJ-UHFFFAOYSA-N 1 2 171.219 1.247 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H]1C 308154200 572864510 /nfs/dbraw/zinc/86/45/10/572864510.db2.gz SIBZMFAQKRLUHB-CIUDSAMLSA-N 1 2 185.267 1.326 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C 308154206 572863058 /nfs/dbraw/zinc/86/30/58/572863058.db2.gz SIBZMFAQKRLUHB-XHNCKOQMSA-N 1 2 185.267 1.326 20 0 ADADLO CCC[C@@H](O)Cn1cc[nH+]c1 50193632 572867355 /nfs/dbraw/zinc/86/73/55/572867355.db2.gz CXARJTXDEASWGV-MRVPVSSYSA-N 1 2 154.213 1.044 20 0 ADADLO Cn1c(Cl)cnc1C[NH2+]CCF 307965413 572867950 /nfs/dbraw/zinc/86/79/50/572867950.db2.gz QJROMPXFJBBSDV-UHFFFAOYSA-N 1 2 191.637 1.133 20 0 ADADLO CCC[C@H](O)Cn1cc[nH+]c1 50193631 572868123 /nfs/dbraw/zinc/86/81/23/572868123.db2.gz CXARJTXDEASWGV-QMMMGPOBSA-N 1 2 154.213 1.044 20 0 ADADLO O[C@@H](Cn1cc[nH+]c1)c1ccccn1 141210954 572923521 /nfs/dbraw/zinc/92/35/21/572923521.db2.gz HJXYZJAUDOMDAZ-JTQLQIEISA-N 1 2 189.218 1.012 20 0 ADADLO O[C@H](Cn1cc[nH+]c1)c1ccccn1 141210755 572924415 /nfs/dbraw/zinc/92/44/15/572924415.db2.gz HJXYZJAUDOMDAZ-SNVBAGLBSA-N 1 2 189.218 1.012 20 0 ADADLO c1cc(C[NH2+]Cc2ccon2)ccn1 86452668 572940635 /nfs/dbraw/zinc/94/06/35/572940635.db2.gz DQDYJXLYNZQCFE-UHFFFAOYSA-N 1 2 189.218 1.359 20 0 ADADLO Cn1cccc1C[NH2+]Cc1ccon1 86452643 572942289 /nfs/dbraw/zinc/94/22/89/572942289.db2.gz XREXSKXMJDKJRP-UHFFFAOYSA-N 1 2 191.234 1.303 20 0 ADADLO CN(C/C=C/Cl)Cc1[nH+]ccn1C 308216831 572992595 /nfs/dbraw/zinc/99/25/95/572992595.db2.gz AKNHOGQMGDMDJC-ONEGZZNKSA-N 1 2 199.685 1.604 20 0 ADADLO CN(C)c1cc(N2CCCC2)nc[nH+]1 585415061 572997510 /nfs/dbraw/zinc/99/75/10/572997510.db2.gz KBJDEQYWQSCCNQ-UHFFFAOYSA-N 1 2 192.266 1.143 20 0 ADADLO CN(C)c1cc(N2CCCC2)[nH+]cn1 585415061 572997517 /nfs/dbraw/zinc/99/75/17/572997517.db2.gz KBJDEQYWQSCCNQ-UHFFFAOYSA-N 1 2 192.266 1.143 20 0 ADADLO CN(C)c1cc(NCC2CC2)[nH+]cn1 585415136 572998161 /nfs/dbraw/zinc/99/81/61/572998161.db2.gz LNENLTAAJIGTDI-UHFFFAOYSA-N 1 2 192.266 1.365 20 0 ADADLO CN(C)c1cc(NCC2CC2)nc[nH+]1 585415136 572998166 /nfs/dbraw/zinc/99/81/66/572998166.db2.gz LNENLTAAJIGTDI-UHFFFAOYSA-N 1 2 192.266 1.365 20 0 ADADLO CC(C)Cc1ccc(N)c[nH+]1 82408325 573028538 /nfs/dbraw/zinc/02/85/38/573028538.db2.gz CMGUMUKKWBMCIG-UHFFFAOYSA-N 1 2 150.225 1.862 20 0 ADADLO CN(CC(C)(C)C)c1cc(N)nc[nH+]1 82426788 573035399 /nfs/dbraw/zinc/03/53/99/573035399.db2.gz VEQIIHVDLCWWEJ-UHFFFAOYSA-N 1 2 194.282 1.541 20 0 ADADLO Cn1c[nH+]c(C(C)(C)C)c1 113843385 573035437 /nfs/dbraw/zinc/03/54/37/573035437.db2.gz ZVXPRRWUPGSDOJ-UHFFFAOYSA-N 1 2 138.214 1.718 20 0 ADADLO CC(C)CN(C)c1cc(N)nc[nH+]1 82426733 573039525 /nfs/dbraw/zinc/03/95/25/573039525.db2.gz DGOAIJLCOSODGA-UHFFFAOYSA-N 1 2 180.255 1.151 20 0 ADADLO FCCCn1cc[nH+]c1 88027146 573044181 /nfs/dbraw/zinc/04/41/81/573044181.db2.gz UVGZPDFJKGVBMR-UHFFFAOYSA-N 1 2 128.150 1.243 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)F 308488779 573067023 /nfs/dbraw/zinc/06/70/23/573067023.db2.gz PNSBLWQXNOJJTO-UHFFFAOYSA-N 1 2 199.229 1.116 20 0 ADADLO CC(C)[NH2+]c1ccc(OCCO)cc1 128652373 573094636 /nfs/dbraw/zinc/09/46/36/573094636.db2.gz LEKBGQQZRSEWQY-UHFFFAOYSA-N 1 2 195.262 1.878 20 0 ADADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc[nH]1 308501344 573096415 /nfs/dbraw/zinc/09/64/15/573096415.db2.gz GTTCNFKONDQFBF-MRVPVSSYSA-N 1 2 190.250 1.589 20 0 ADADLO c1cn(CCC2OCCCO2)c[nH+]1 85705794 573120677 /nfs/dbraw/zinc/12/06/77/573120677.db2.gz FFNHJSGQJCDRFE-UHFFFAOYSA-N 1 2 182.223 1.036 20 0 ADADLO OC1(Cn2cc[nH+]c2)CCCCC1 88430226 573121026 /nfs/dbraw/zinc/12/10/26/573121026.db2.gz LNRQBFAKMFAGDE-UHFFFAOYSA-N 1 2 180.251 1.578 20 0 ADADLO CC[NH2+][C@]1(C)CC(C)(C)OC1=O 238280985 573122867 /nfs/dbraw/zinc/12/28/67/573122867.db2.gz IEHOQNVMNQUGLO-SECBINFHSA-N 1 2 171.240 1.080 20 0 ADADLO c1cn(Cc2cscn2)c[nH+]1 82615243 573125998 /nfs/dbraw/zinc/12/59/98/573125998.db2.gz PSWPTTJILTZHQP-UHFFFAOYSA-N 1 2 165.221 1.388 20 0 ADADLO CC[C@@H](C)Cn1cc[nH+]c1 82615226 573127303 /nfs/dbraw/zinc/12/73/03/573127303.db2.gz VNGVXQZJLFNBAF-MRVPVSSYSA-N 1 2 138.214 1.929 20 0 ADADLO CCc1csc(-n2cc[nH+]c2)n1 82615585 573129440 /nfs/dbraw/zinc/12/94/40/573129440.db2.gz HHPINBCJYFYMON-UHFFFAOYSA-N 1 2 179.248 1.891 20 0 ADADLO CC[C@H](C)Cn1cc[nH+]c1 82615227 573129952 /nfs/dbraw/zinc/12/99/52/573129952.db2.gz VNGVXQZJLFNBAF-QMMMGPOBSA-N 1 2 138.214 1.929 20 0 ADADLO Cc1noc(C)c1C[N@H+](C)CCF 308281336 573138242 /nfs/dbraw/zinc/13/82/42/573138242.db2.gz XYVOQEJFSMHHDQ-UHFFFAOYSA-N 1 2 186.230 1.693 20 0 ADADLO Cc1noc(C)c1C[N@@H+](C)CCF 308281336 573138245 /nfs/dbraw/zinc/13/82/45/573138245.db2.gz XYVOQEJFSMHHDQ-UHFFFAOYSA-N 1 2 186.230 1.693 20 0 ADADLO CCCOC(=O)NCc1[nH+]ccn1C 308502739 573142996 /nfs/dbraw/zinc/14/29/96/573142996.db2.gz XGUUQTZZOILLHF-UHFFFAOYSA-N 1 2 197.238 1.056 20 0 ADADLO CC(C)C([NH2+]Cc1ncn[nH]1)C(C)C 308502825 573144221 /nfs/dbraw/zinc/14/42/21/573144221.db2.gz XJSHENXWHVYUMC-UHFFFAOYSA-N 1 2 196.298 1.575 20 0 ADADLO CN([NH3+])CCCC(C)(C)C 238290208 573145711 /nfs/dbraw/zinc/14/57/11/573145711.db2.gz WBKNHLYDMLFSDA-UHFFFAOYSA-N 1 2 144.262 1.618 20 0 ADADLO COc1ccccc1[C@@H]([NH3+])C(C)=O 104668725 573152483 /nfs/dbraw/zinc/15/24/83/573152483.db2.gz KOFRUKOOWHYHBR-JTQLQIEISA-N 1 2 179.219 1.284 20 0 ADADLO COc1ccccc1[C@H]([NH3+])C(C)=O 104668727 573154208 /nfs/dbraw/zinc/15/42/08/573154208.db2.gz KOFRUKOOWHYHBR-SNVBAGLBSA-N 1 2 179.219 1.284 20 0 ADADLO CC(C)(C)Cc1nc(N)cc[nH+]1 82674869 573155578 /nfs/dbraw/zinc/15/55/78/573155578.db2.gz MZVQPOYLOCIUDF-UHFFFAOYSA-N 1 2 165.240 1.647 20 0 ADADLO C[N@H+](CCF)CCC(F)(F)F 393615990 573159540 /nfs/dbraw/zinc/15/95/40/573159540.db2.gz KJVDTJJAACYJGT-UHFFFAOYSA-N 1 2 173.153 1.840 20 0 ADADLO C[N@@H+](CCF)CCC(F)(F)F 393615990 573159543 /nfs/dbraw/zinc/15/95/43/573159543.db2.gz KJVDTJJAACYJGT-UHFFFAOYSA-N 1 2 173.153 1.840 20 0 ADADLO C[N@H+](CCO)C/C(Cl)=C/Cl 86001405 573219606 /nfs/dbraw/zinc/21/96/06/573219606.db2.gz RJMTVAKIPVBQBY-XQRVVYSFSA-N 1 2 184.066 1.230 20 0 ADADLO C[N@@H+](CCO)C/C(Cl)=C/Cl 86001405 573219610 /nfs/dbraw/zinc/21/96/10/573219610.db2.gz RJMTVAKIPVBQBY-XQRVVYSFSA-N 1 2 184.066 1.230 20 0 ADADLO CC[C@H](C)[N@H+](CCF)CC(=O)OC 308314103 573234079 /nfs/dbraw/zinc/23/40/79/573234079.db2.gz UFGMCWPBWHWWTD-QMMMGPOBSA-N 1 2 191.246 1.229 20 0 ADADLO CC[C@H](C)[N@@H+](CCF)CC(=O)OC 308314103 573234083 /nfs/dbraw/zinc/23/40/83/573234083.db2.gz UFGMCWPBWHWWTD-QMMMGPOBSA-N 1 2 191.246 1.229 20 0 ADADLO Cn1cnc(CNc2cccc[nH+]2)c1 142383095 573265496 /nfs/dbraw/zinc/26/54/96/573265496.db2.gz BNFHYZKVFVATPD-UHFFFAOYSA-N 1 2 188.234 1.427 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H]1CC 308541612 573287740 /nfs/dbraw/zinc/28/77/40/573287740.db2.gz USGBIXKYPIJKEO-GUBZILKMSA-N 1 2 199.294 1.716 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@H]1CC 308541610 573288666 /nfs/dbraw/zinc/28/86/66/573288666.db2.gz USGBIXKYPIJKEO-AEJSXWLSSA-N 1 2 199.294 1.716 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H]1CC 308541613 573289316 /nfs/dbraw/zinc/28/93/16/573289316.db2.gz USGBIXKYPIJKEO-IVZWLZJFSA-N 1 2 199.294 1.716 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]1CC 308541614 573290999 /nfs/dbraw/zinc/29/09/99/573290999.db2.gz USGBIXKYPIJKEO-LPEHRKFASA-N 1 2 199.294 1.716 20 0 ADADLO CCCOC(=O)N[C@H](C)c1[nH]cc[nH+]1 308558552 573349527 /nfs/dbraw/zinc/34/95/27/573349527.db2.gz URLNJNFYWINEEK-SSDOTTSWSA-N 1 2 197.238 1.607 20 0 ADADLO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCC1(C)C 308564276 573366882 /nfs/dbraw/zinc/36/68/82/573366882.db2.gz ZGDJUHSIWGBAKB-RKDXNWHRSA-N 1 2 199.294 1.716 20 0 ADADLO CCCC(=O)NCc1ccc(N)[nH+]c1 308374003 573367355 /nfs/dbraw/zinc/36/73/55/573367355.db2.gz IIWUOOQEHCMOLJ-UHFFFAOYSA-N 1 2 193.250 1.080 20 0 ADADLO O=Cc1cccc(F)c1-n1cc[nH+]c1 236217747 573422380 /nfs/dbraw/zinc/42/23/80/573422380.db2.gz JOERTFUQMMECCD-UHFFFAOYSA-N 1 2 190.177 1.824 20 0 ADADLO Cc1cc(NCc2ccon2)nc[nH+]1 86443474 573428005 /nfs/dbraw/zinc/42/80/05/573428005.db2.gz SBWCXZFDRFJNOM-UHFFFAOYSA-N 1 2 190.206 1.385 20 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CNSGEAMMCYLSGJ-UHFFFAOYSA-N 1 2 193.237 1.752 20 0 ADADLO CCOC(=O)[C@@H](C)[NH2+]C1CC(C)(C)C1 143808023 573529985 /nfs/dbraw/zinc/52/99/85/573529985.db2.gz SLNFRXSYZVKAPF-MRVPVSSYSA-N 1 2 199.294 1.716 20 0 ADADLO COc1c(C(F)F)cc[nH+]c1N 238429745 573534058 /nfs/dbraw/zinc/53/40/58/573534058.db2.gz YORJADBPBADTDS-UHFFFAOYSA-N 1 2 174.150 1.610 20 0 ADADLO CCc1[nH+]cc(C)cc1N 107454714 573610472 /nfs/dbraw/zinc/61/04/72/573610472.db2.gz WBEHYQNWTZVUJT-UHFFFAOYSA-N 1 2 136.198 1.535 20 0 ADADLO Nc1c[nH+]ccc1OCC(F)F 96653031 573642220 /nfs/dbraw/zinc/64/22/20/573642220.db2.gz QFIMWDLQXPQFMR-UHFFFAOYSA-N 1 2 174.150 1.308 20 0 ADADLO CC[NH2+]Cc1noc([C@@H](CC)OC)n1 308875595 573674102 /nfs/dbraw/zinc/67/41/02/573674102.db2.gz NBPPWQIHPVZVEC-SSDOTTSWSA-N 1 2 199.254 1.277 20 0 ADADLO CC[NH2+]Cc1noc([C@H](CC)OC)n1 308875596 573674251 /nfs/dbraw/zinc/67/42/51/573674251.db2.gz NBPPWQIHPVZVEC-ZETCQYMHSA-N 1 2 199.254 1.277 20 0 ADADLO c1cn(CC2CCC2)c[nH+]1 83842134 573685054 /nfs/dbraw/zinc/68/50/54/573685054.db2.gz GKGZJGGFZPGLHP-UHFFFAOYSA-N 1 2 136.198 1.683 20 0 ADADLO CC(C)OC(=O)C[NH2+]C1(C2CC2)CC1 308683305 573700334 /nfs/dbraw/zinc/70/03/34/573700334.db2.gz YLVKGVQTKIJXEG-UHFFFAOYSA-N 1 2 197.278 1.470 20 0 ADADLO Cc1cc(N)nc(Cc2ccccc2)[nH+]1 50845025 573778044 /nfs/dbraw/zinc/77/80/44/573778044.db2.gz RYJVRXFJKYTQIS-UHFFFAOYSA-N 1 2 199.257 1.958 20 0 ADADLO Cc1ncc(C[NH2+]CC(F)F)s1 40997950 573793282 /nfs/dbraw/zinc/79/32/82/573793282.db2.gz JLFUVTGUGHKZBJ-UHFFFAOYSA-N 1 2 192.234 1.806 20 0 ADADLO Cc1ccc([C@H](C)[C@@H](C)O)c[nH+]1 87142045 573798082 /nfs/dbraw/zinc/79/80/82/573798082.db2.gz UTIHDQJBSONVNA-RKDXNWHRSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1cc[nH+]cc1[C@H](C)[C@@H](C)O 87142296 573797281 /nfs/dbraw/zinc/79/72/81/573797281.db2.gz VKPJHCFPQKGZBX-RKDXNWHRSA-N 1 2 165.236 1.874 20 0 ADADLO CCCC[N@H+](C)Cc1cc(C)[nH]n1 308451689 573836570 /nfs/dbraw/zinc/83/65/70/573836570.db2.gz DPZXEPFCXNDPIN-UHFFFAOYSA-N 1 2 181.283 1.950 20 0 ADADLO CCCC[N@@H+](C)Cc1cc(C)[nH]n1 308451689 573836577 /nfs/dbraw/zinc/83/65/77/573836577.db2.gz DPZXEPFCXNDPIN-UHFFFAOYSA-N 1 2 181.283 1.950 20 0 ADADLO CC(C)C1(O)C[NH+](C/C=C/Cl)C1 84376934 573863087 /nfs/dbraw/zinc/86/30/87/573863087.db2.gz SFWJBXROCATEHG-ONEGZZNKSA-N 1 2 189.686 1.442 20 0 ADADLO Cc1c[nH+]c2c(O)cccn12 258440977 573868841 /nfs/dbraw/zinc/86/88/41/573868841.db2.gz FBISBXUANJGHNI-UHFFFAOYSA-N 1 2 148.165 1.348 20 0 ADADLO CNc1cc(N2CC[C@@H](F)C2)nc[nH+]1 689828476 573905265 /nfs/dbraw/zinc/90/52/65/573905265.db2.gz MGCJBGLCCSSSCP-SSDOTTSWSA-N 1 2 196.229 1.067 20 0 ADADLO CNc1cc(N2CC[C@@H](F)C2)[nH+]cn1 689828476 573905268 /nfs/dbraw/zinc/90/52/68/573905268.db2.gz MGCJBGLCCSSSCP-SSDOTTSWSA-N 1 2 196.229 1.067 20 0 ADADLO CNc1cc(N2CC[C@H](F)C2)nc[nH+]1 689828477 573905574 /nfs/dbraw/zinc/90/55/74/573905574.db2.gz MGCJBGLCCSSSCP-ZETCQYMHSA-N 1 2 196.229 1.067 20 0 ADADLO CNc1cc(N2CC[C@H](F)C2)[nH+]cn1 689828477 573905578 /nfs/dbraw/zinc/90/55/78/573905578.db2.gz MGCJBGLCCSSSCP-ZETCQYMHSA-N 1 2 196.229 1.067 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)C(F)F 235820051 573935095 /nfs/dbraw/zinc/93/50/95/573935095.db2.gz FKQUUQBMZONMDL-UHFFFAOYSA-N 1 2 186.161 1.594 20 0 ADADLO COc1ccc([C@@H]([NH3+])C(C)=O)c(F)c1 104493526 574008839 /nfs/dbraw/zinc/00/88/39/574008839.db2.gz JHBQHQUPKXDREZ-JTQLQIEISA-N 1 2 197.209 1.423 20 0 ADADLO CC(=O)[C@@H]([NH3+])c1cc(F)ccc1F 104491169 574008905 /nfs/dbraw/zinc/00/89/05/574008905.db2.gz SLSGSNORKUJKPP-SECBINFHSA-N 1 2 185.173 1.554 20 0 ADADLO CC(=O)[C@@H]([NH3+])c1c(F)cccc1F 104492747 574010198 /nfs/dbraw/zinc/01/01/98/574010198.db2.gz HGZKVFVLNVFCEH-SECBINFHSA-N 1 2 185.173 1.554 20 0 ADADLO CC(C)[NH2+]CC(=O)OC1CCCCC1 48632178 574012605 /nfs/dbraw/zinc/01/26/05/574012605.db2.gz BWBSEENAJNAHBN-UHFFFAOYSA-N 1 2 199.294 1.860 20 0 ADADLO COc1ccc(F)cc1[C@H]([NH3+])C(C)=O 104494845 574014120 /nfs/dbraw/zinc/01/41/20/574014120.db2.gz ULYAFGRCLFISJE-SNVBAGLBSA-N 1 2 197.209 1.423 20 0 ADADLO COc1cc(F)ccc1[C@H]([NH3+])C(C)=O 104494873 574015179 /nfs/dbraw/zinc/01/51/79/574015179.db2.gz BCJNBCWQSNDJKX-SNVBAGLBSA-N 1 2 197.209 1.423 20 0 ADADLO CCCNc1cc(NCC)[nH+]cn1 87806658 574038075 /nfs/dbraw/zinc/03/80/75/574038075.db2.gz UUHRXNNORYVBKH-UHFFFAOYSA-N 1 2 180.255 1.730 20 0 ADADLO CCCNc1cc(NCC)nc[nH+]1 87806658 574038076 /nfs/dbraw/zinc/03/80/76/574038076.db2.gz UUHRXNNORYVBKH-UHFFFAOYSA-N 1 2 180.255 1.730 20 0 ADADLO CNc1cc(N(C)CC(C)C)nc[nH+]1 87809263 574040265 /nfs/dbraw/zinc/04/02/65/574040265.db2.gz SWWINRFVUKNFGW-UHFFFAOYSA-N 1 2 194.282 1.611 20 0 ADADLO CNc1cc(N(C)CC(C)C)[nH+]cn1 87809263 574040267 /nfs/dbraw/zinc/04/02/67/574040267.db2.gz SWWINRFVUKNFGW-UHFFFAOYSA-N 1 2 194.282 1.611 20 0 ADADLO CNc1cc(NC2CCC2)[nH+]cn1 87827073 574042900 /nfs/dbraw/zinc/04/29/00/574042900.db2.gz ZNFILUNERJCCJJ-UHFFFAOYSA-N 1 2 178.239 1.483 20 0 ADADLO C[C@H]1CCCN1c1cc(N)nc[nH+]1 87820069 574042931 /nfs/dbraw/zinc/04/29/31/574042931.db2.gz SELMJWQASRKNRJ-ZETCQYMHSA-N 1 2 178.239 1.048 20 0 ADADLO CNc1cc(N2CC[C@H](C)C2)nc[nH+]1 87820817 574043007 /nfs/dbraw/zinc/04/30/07/574043007.db2.gz JDFMMGTYVFPVAT-QMMMGPOBSA-N 1 2 192.266 1.365 20 0 ADADLO CNc1cc(N2CC[C@H](C)C2)[nH+]cn1 87820817 574043008 /nfs/dbraw/zinc/04/30/08/574043008.db2.gz JDFMMGTYVFPVAT-QMMMGPOBSA-N 1 2 192.266 1.365 20 0 ADADLO CNc1cc(N(C)CC2CC2)nc[nH+]1 87820447 574043053 /nfs/dbraw/zinc/04/30/53/574043053.db2.gz VDKCTUSCJMALSX-UHFFFAOYSA-N 1 2 192.266 1.365 20 0 ADADLO CNc1cc(N(C)CC2CC2)[nH+]cn1 87820447 574043055 /nfs/dbraw/zinc/04/30/55/574043055.db2.gz VDKCTUSCJMALSX-UHFFFAOYSA-N 1 2 192.266 1.365 20 0 ADADLO C[C@@H]1CCCN1c1cc(N)nc[nH+]1 87820067 574043059 /nfs/dbraw/zinc/04/30/59/574043059.db2.gz SELMJWQASRKNRJ-SSDOTTSWSA-N 1 2 178.239 1.048 20 0 ADADLO C[C@H](C1CC1)N(C)c1cc(N)nc[nH+]1 87813127 574043137 /nfs/dbraw/zinc/04/31/37/574043137.db2.gz OREOMHSPCJZSGK-SSDOTTSWSA-N 1 2 192.266 1.294 20 0 ADADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)C[C@H]1C 87838319 574045453 /nfs/dbraw/zinc/04/54/53/574045453.db2.gz DCJFZDIOXAAIKI-HTQZYQBOSA-N 1 2 192.266 1.151 20 0 ADADLO C[C@@H]1CN(c2cc(N)nc[nH+]2)C[C@@H]1C 87838315 574045505 /nfs/dbraw/zinc/04/55/05/574045505.db2.gz DCJFZDIOXAAIKI-OCAPTIKFSA-N 1 2 192.266 1.151 20 0 ADADLO C[C@H]1CN(c2cc(N)nc[nH+]2)C[C@@H]1C 87838317 574045784 /nfs/dbraw/zinc/04/57/84/574045784.db2.gz DCJFZDIOXAAIKI-YUMQZZPRSA-N 1 2 192.266 1.151 20 0 ADADLO FC(F)C[NH2+]Cc1ccncc1 37755832 486721845 /nfs/dbraw/zinc/72/18/45/486721845.db2.gz PRENHLYQEMNYDG-UHFFFAOYSA-N 1 2 172.178 1.436 20 0 ADADLO CCCN(CCO)c1cccc[nH+]1 48922200 486731044 /nfs/dbraw/zinc/73/10/44/486731044.db2.gz PLVFEFKGZCKVBH-UHFFFAOYSA-N 1 2 180.251 1.290 20 0 ADADLO Cn1c[nH+]c(/C=C\c2ccncn2)c1 669819000 486734165 /nfs/dbraw/zinc/73/41/65/486734165.db2.gz HZGQFUPZZFNSKP-IHWYPQMZSA-N 1 2 186.218 1.381 20 0 ADADLO Cn1c[nH+]c(/C=C/c2ccncn2)c1 669819001 486734218 /nfs/dbraw/zinc/73/42/18/486734218.db2.gz HZGQFUPZZFNSKP-NSCUHMNNSA-N 1 2 186.218 1.381 20 0 ADADLO CC(C)[N@@H+](CCCO)CC(F)F 50105497 486736497 /nfs/dbraw/zinc/73/64/97/486736497.db2.gz LDDPEEUGFMBYTI-UHFFFAOYSA-N 1 2 181.226 1.344 20 0 ADADLO CC(C)[N@H+](CCCO)CC(F)F 50105497 486736495 /nfs/dbraw/zinc/73/64/95/486736495.db2.gz LDDPEEUGFMBYTI-UHFFFAOYSA-N 1 2 181.226 1.344 20 0 ADADLO CCn1cc(CCn2cc[nH+]c2)cn1 671617945 486748788 /nfs/dbraw/zinc/74/87/88/486748788.db2.gz XUAZUIRGXJQQAU-UHFFFAOYSA-N 1 2 190.250 1.342 20 0 ADADLO CCCN(C)C(=O)CCc1[nH]cc[nH+]1 670417435 486740551 /nfs/dbraw/zinc/74/05/51/486740551.db2.gz QXFVQADUBKRNJV-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO CCCN(C)C(=O)Cc1[nH]c[nH+]c1C 670417455 486740833 /nfs/dbraw/zinc/74/08/33/486740833.db2.gz ZCDZKCLVDKAFFM-UHFFFAOYSA-N 1 2 195.266 1.129 20 0 ADADLO CCCCc1nc(C[NH2+]C)no1 51848492 486741602 /nfs/dbraw/zinc/74/16/02/486741602.db2.gz BLEJSLWMLIRSKK-UHFFFAOYSA-N 1 2 169.228 1.132 20 0 ADADLO C[N@H+](CCC(C)(C)O)Cc1ncc[nH]1 670983174 486741615 /nfs/dbraw/zinc/74/16/15/486741615.db2.gz PSKFLZXDURTMDF-UHFFFAOYSA-N 1 2 197.282 1.003 20 0 ADADLO C[N@@H+](CCC(C)(C)O)Cc1ncc[nH]1 670983174 486741620 /nfs/dbraw/zinc/74/16/20/486741620.db2.gz PSKFLZXDURTMDF-UHFFFAOYSA-N 1 2 197.282 1.003 20 0 ADADLO C[N@@H+](Cc1cn[nH]n1)CC1CCCC1 670990774 486743531 /nfs/dbraw/zinc/74/35/31/486743531.db2.gz XVWMGAFCLBNTIC-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C[N@H+](Cc1cn[nH]n1)CC1CCCC1 670990774 486743536 /nfs/dbraw/zinc/74/35/36/486743536.db2.gz XVWMGAFCLBNTIC-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CCc1cnc(C[N@H+](C)[C@H](C)CO)o1 671249050 486746142 /nfs/dbraw/zinc/74/61/42/486746142.db2.gz WGEKUQNZCXZWOK-MRVPVSSYSA-N 1 2 198.266 1.050 20 0 ADADLO CCc1cnc(C[N@@H+](C)[C@H](C)CO)o1 671249050 486746149 /nfs/dbraw/zinc/74/61/49/486746149.db2.gz WGEKUQNZCXZWOK-MRVPVSSYSA-N 1 2 198.266 1.050 20 0 ADADLO CC[N@H+](CC(F)F)[C@H]1CCOC1 671626623 486749372 /nfs/dbraw/zinc/74/93/72/486749372.db2.gz GATFWHDSQQGNHN-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO CC[N@@H+](CC(F)F)[C@H]1CCOC1 671626623 486749376 /nfs/dbraw/zinc/74/93/76/486749376.db2.gz GATFWHDSQQGNHN-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO CC[N@H+](CC(F)F)[C@@H]1CCOC1 671626622 486749897 /nfs/dbraw/zinc/74/98/97/486749897.db2.gz GATFWHDSQQGNHN-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO CC[N@@H+](CC(F)F)[C@@H]1CCOC1 671626622 486749902 /nfs/dbraw/zinc/74/99/02/486749902.db2.gz GATFWHDSQQGNHN-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO CCc1noc(CCc2c[nH]c[nH+]2)n1 671669989 486751930 /nfs/dbraw/zinc/75/19/30/486751930.db2.gz OXFUFUUHDNRZKP-UHFFFAOYSA-N 1 2 192.222 1.140 20 0 ADADLO CCc1noc(CCc2c[nH+]c[nH]2)n1 671669989 486751936 /nfs/dbraw/zinc/75/19/36/486751936.db2.gz OXFUFUUHDNRZKP-UHFFFAOYSA-N 1 2 192.222 1.140 20 0 ADADLO CO[C@H](C)C[N@H+](C)Cc1ncc(C)o1 671737109 486755448 /nfs/dbraw/zinc/75/54/48/486755448.db2.gz ZIPVHTSFNGOSEE-SECBINFHSA-N 1 2 198.266 1.450 20 0 ADADLO CO[C@H](C)C[N@@H+](C)Cc1ncc(C)o1 671737109 486755454 /nfs/dbraw/zinc/75/54/54/486755454.db2.gz ZIPVHTSFNGOSEE-SECBINFHSA-N 1 2 198.266 1.450 20 0 ADADLO CO[C@@H](C)C[N@H+](C)Cc1ncc(C)o1 671737110 486755961 /nfs/dbraw/zinc/75/59/61/486755961.db2.gz ZIPVHTSFNGOSEE-VIFPVBQESA-N 1 2 198.266 1.450 20 0 ADADLO CO[C@@H](C)C[N@@H+](C)Cc1ncc(C)o1 671737110 486755963 /nfs/dbraw/zinc/75/59/63/486755963.db2.gz ZIPVHTSFNGOSEE-VIFPVBQESA-N 1 2 198.266 1.450 20 0 ADADLO Cc1nc(N2CCC[C@H]3C[C@H]32)cc[nH+]1 672323670 486764274 /nfs/dbraw/zinc/76/42/74/486764274.db2.gz NSHNKEMHBMRBIW-VHSXEESVSA-N 1 2 189.262 1.774 20 0 ADADLO CO[C@H](C)CN(C)c1cc(C)[nH+]cn1 672337953 486764352 /nfs/dbraw/zinc/76/43/52/486764352.db2.gz YDGWWNTXKXOCRK-SECBINFHSA-N 1 2 195.266 1.256 20 0 ADADLO Cc1nc(N2CCC[C@@H]3C[C@@H]32)cc[nH+]1 672323671 486764431 /nfs/dbraw/zinc/76/44/31/486764431.db2.gz NSHNKEMHBMRBIW-ZJUUUORDSA-N 1 2 189.262 1.774 20 0 ADADLO Cc1cc(N2CCC[C@H]3C[C@H]32)nc[nH+]1 672323162 486764745 /nfs/dbraw/zinc/76/47/45/486764745.db2.gz YUTNQRWXQJCMRJ-VHSXEESVSA-N 1 2 189.262 1.774 20 0 ADADLO Cc1cc(N2CCC[C@@H]3C[C@@H]32)nc[nH+]1 672323163 486764778 /nfs/dbraw/zinc/76/47/78/486764778.db2.gz YUTNQRWXQJCMRJ-ZJUUUORDSA-N 1 2 189.262 1.774 20 0 ADADLO CO[C@H](C)CN(C)c1cc[nH+]c(C)n1 672338003 486764816 /nfs/dbraw/zinc/76/48/16/486764816.db2.gz UWSXEMFGIXIQPC-MRVPVSSYSA-N 1 2 195.266 1.256 20 0 ADADLO CO[C@@H](C)CN(C)c1cc(C)[nH+]cn1 672337954 486764914 /nfs/dbraw/zinc/76/49/14/486764914.db2.gz YDGWWNTXKXOCRK-VIFPVBQESA-N 1 2 195.266 1.256 20 0 ADADLO CO[C@@H](C)CN(C)c1cc[nH+]c(C)n1 672338004 486765569 /nfs/dbraw/zinc/76/55/69/486765569.db2.gz UWSXEMFGIXIQPC-QMMMGPOBSA-N 1 2 195.266 1.256 20 0 ADADLO c1c[nH+]c(COCCOC2CCC2)[nH]1 672363193 486767153 /nfs/dbraw/zinc/76/71/53/486767153.db2.gz JZQDBXDRUDECMJ-UHFFFAOYSA-N 1 2 196.250 1.495 20 0 ADADLO COCC[N@@H+](C)Cc1nccs1 673755441 486778305 /nfs/dbraw/zinc/77/83/05/486778305.db2.gz LYWPHXCTUGNQFD-UHFFFAOYSA-N 1 2 186.280 1.221 20 0 ADADLO C[C@H](c1nncn1C)[N@H+]1CC=CCC1 672553143 486769975 /nfs/dbraw/zinc/76/99/75/486769975.db2.gz YTAWOKKCAJGKLA-SECBINFHSA-N 1 2 192.266 1.138 20 0 ADADLO C[C@H](c1nncn1C)[N@@H+]1CC=CCC1 672553143 486769980 /nfs/dbraw/zinc/76/99/80/486769980.db2.gz YTAWOKKCAJGKLA-SECBINFHSA-N 1 2 192.266 1.138 20 0 ADADLO C[C@@H](c1nncn1C)[N@H+]1CC=CCC1 672553144 486770247 /nfs/dbraw/zinc/77/02/47/486770247.db2.gz YTAWOKKCAJGKLA-VIFPVBQESA-N 1 2 192.266 1.138 20 0 ADADLO C[C@@H](c1nncn1C)[N@@H+]1CC=CCC1 672553144 486770251 /nfs/dbraw/zinc/77/02/51/486770251.db2.gz YTAWOKKCAJGKLA-VIFPVBQESA-N 1 2 192.266 1.138 20 0 ADADLO O=C(CCc1[nH]cc[nH+]1)NC1CCC1 672874427 486770734 /nfs/dbraw/zinc/77/07/34/486770734.db2.gz BJNUVEOKIUBCES-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO Cc1cc(-c2[nH+]ccn2C)ccc1N 69027547 486772794 /nfs/dbraw/zinc/77/27/94/486772794.db2.gz HIVOLBRYMWLPFK-UHFFFAOYSA-N 1 2 187.246 1.978 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)CC1CCCC1 673716386 486777301 /nfs/dbraw/zinc/77/73/01/486777301.db2.gz VJPIKOKLJSAHGO-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)CC1CCCC1 673716386 486777308 /nfs/dbraw/zinc/77/73/08/486777308.db2.gz VJPIKOKLJSAHGO-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO COCC[N@H+](C)Cc1nccs1 673755441 486778300 /nfs/dbraw/zinc/77/83/00/486778300.db2.gz LYWPHXCTUGNQFD-UHFFFAOYSA-N 1 2 186.280 1.221 20 0 ADADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccno1 673927716 486781976 /nfs/dbraw/zinc/78/19/76/486781976.db2.gz NWQACKRHZOVXPR-UHFFFAOYSA-N 1 2 192.222 1.030 20 0 ADADLO C[N@H+](Cc1cn[nH]c1)Cc1ccno1 673927716 486781978 /nfs/dbraw/zinc/78/19/78/486781978.db2.gz NWQACKRHZOVXPR-UHFFFAOYSA-N 1 2 192.222 1.030 20 0 ADADLO CC(C)OCCn1cc[nH+]c1 70162523 486782369 /nfs/dbraw/zinc/78/23/69/486782369.db2.gz AYOQRHYWWXYNHS-UHFFFAOYSA-N 1 2 154.213 1.308 20 0 ADADLO c1ccn2cc(Cn3cc[nH+]c3)nc2c1 70163097 486782610 /nfs/dbraw/zinc/78/26/10/486782610.db2.gz ZDVHVCRWAKYOSM-UHFFFAOYSA-N 1 2 198.229 1.579 20 0 ADADLO CC[C@H](COC)[NH2+]Cc1cn[nH]c1C 70624176 486789833 /nfs/dbraw/zinc/78/98/33/486789833.db2.gz BFCPCJAPICMSJA-SNVBAGLBSA-N 1 2 197.282 1.233 20 0 ADADLO CC[C@@H](COC)[NH2+]Cc1cn[nH]c1C 70624175 486790021 /nfs/dbraw/zinc/79/00/21/486790021.db2.gz BFCPCJAPICMSJA-JTQLQIEISA-N 1 2 197.282 1.233 20 0 ADADLO CCC[N@H+](Cc1ncnn1C)C1CC1 674249677 486790106 /nfs/dbraw/zinc/79/01/06/486790106.db2.gz DZNZYRAFMLOGKR-UHFFFAOYSA-N 1 2 194.282 1.190 20 0 ADADLO CCC[N@@H+](Cc1ncnn1C)C1CC1 674249677 486790110 /nfs/dbraw/zinc/79/01/10/486790110.db2.gz DZNZYRAFMLOGKR-UHFFFAOYSA-N 1 2 194.282 1.190 20 0 ADADLO CC(C)[N@H+](Cc1ncnn1C)C1CC1 674249456 486790366 /nfs/dbraw/zinc/79/03/66/486790366.db2.gz VVWLQLGWGUHRJY-UHFFFAOYSA-N 1 2 194.282 1.188 20 0 ADADLO CC(C)[N@@H+](Cc1ncnn1C)C1CC1 674249456 486790373 /nfs/dbraw/zinc/79/03/73/486790373.db2.gz VVWLQLGWGUHRJY-UHFFFAOYSA-N 1 2 194.282 1.188 20 0 ADADLO OC1C[NH+](Cc2cccc(Cl)c2)C1 70798055 486793144 /nfs/dbraw/zinc/79/31/44/486793144.db2.gz TZDRCOYJCOWZIM-UHFFFAOYSA-N 1 2 197.665 1.517 20 0 ADADLO OC1C[NH+](Cc2ccccc2F)C1 70798069 486793264 /nfs/dbraw/zinc/79/32/64/486793264.db2.gz VBUNOZYSYGFIPO-UHFFFAOYSA-N 1 2 181.210 1.002 20 0 ADADLO C[N@H+](CCC1CC1)Cc1nnc[nH]1 674372712 486795137 /nfs/dbraw/zinc/79/51/37/486795137.db2.gz SITULIUQHAELQV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1nnc[nH]1 674372712 486795143 /nfs/dbraw/zinc/79/51/43/486795143.db2.gz SITULIUQHAELQV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CN(Cc1c[nH+]cn1C)CC(F)F 674369550 486795247 /nfs/dbraw/zinc/79/52/47/486795247.db2.gz AXVJUJHOJTXYTH-UHFFFAOYSA-N 1 2 189.209 1.117 20 0 ADADLO C[N@H+](CCC(C)(C)C)Cc1nnc[nH]1 674372728 486795933 /nfs/dbraw/zinc/79/59/33/486795933.db2.gz STOSSYARCFVNQB-UHFFFAOYSA-N 1 2 196.298 1.673 20 0 ADADLO C[N@@H+](CCC(C)(C)C)Cc1nnc[nH]1 674372728 486795936 /nfs/dbraw/zinc/79/59/36/486795936.db2.gz STOSSYARCFVNQB-UHFFFAOYSA-N 1 2 196.298 1.673 20 0 ADADLO OC1C[NH+](Cc2cccc(F)c2)C1 70916186 486796635 /nfs/dbraw/zinc/79/66/35/486796635.db2.gz HERDZKYDWMXSLV-UHFFFAOYSA-N 1 2 181.210 1.002 20 0 ADADLO CO[C@H]1CCN(c2cc[nH+]c(C)n2)C1 674413161 486796930 /nfs/dbraw/zinc/79/69/30/486796930.db2.gz AGJXVCMZCGHZHN-VIFPVBQESA-N 1 2 193.250 1.010 20 0 ADADLO FC(F)(F)CCn1cc[nH+]c1 70916659 486797260 /nfs/dbraw/zinc/79/72/60/486797260.db2.gz WFGMWPDYPJNPBD-UHFFFAOYSA-N 1 2 164.130 1.836 20 0 ADADLO CCCC(=O)N1CCc2[nH]c[nH+]c2C1 74785456 486800169 /nfs/dbraw/zinc/80/01/69/486800169.db2.gz UCQHUCNSZXVRAK-UHFFFAOYSA-N 1 2 193.250 1.095 20 0 ADADLO CCCC(=O)N1CCc2[nH+]c[nH]c2C1 74785456 486800174 /nfs/dbraw/zinc/80/01/74/486800174.db2.gz UCQHUCNSZXVRAK-UHFFFAOYSA-N 1 2 193.250 1.095 20 0 ADADLO CC[C@H](O)CNc1cccc[nH+]1 82008872 486806101 /nfs/dbraw/zinc/80/61/01/486806101.db2.gz TVGHJFYICVCRMP-QMMMGPOBSA-N 1 2 166.224 1.264 20 0 ADADLO CC[C@@H](O)CNc1cccc[nH+]1 82008873 486806175 /nfs/dbraw/zinc/80/61/75/486806175.db2.gz TVGHJFYICVCRMP-MRVPVSSYSA-N 1 2 166.224 1.264 20 0 ADADLO CCC(=O)N[C@@H](C)c1[nH+]ccn1C 82274834 486809357 /nfs/dbraw/zinc/80/93/57/486809357.db2.gz SAERPERWZTYBJV-ZETCQYMHSA-N 1 2 181.239 1.007 20 0 ADADLO CC(C)CC(=O)NCCn1cc[nH+]c1 82277216 486809408 /nfs/dbraw/zinc/80/94/08/486809408.db2.gz LLOQTPUQYRXVKR-UHFFFAOYSA-N 1 2 195.266 1.045 20 0 ADADLO CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 82274763 486809444 /nfs/dbraw/zinc/80/94/44/486809444.db2.gz RHFHHFXCQYWJJQ-SECBINFHSA-N 1 2 193.250 1.483 20 0 ADADLO CCC(=O)N[C@H](C)c1[nH+]ccn1C 82274835 486809722 /nfs/dbraw/zinc/80/97/22/486809722.db2.gz SAERPERWZTYBJV-SSDOTTSWSA-N 1 2 181.239 1.007 20 0 ADADLO CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 82274764 486809849 /nfs/dbraw/zinc/80/98/49/486809849.db2.gz RHFHHFXCQYWJJQ-VIFPVBQESA-N 1 2 193.250 1.483 20 0 ADADLO Cc1cc(C)n(-c2[nH+]ccn2C)n1 82615520 486821023 /nfs/dbraw/zinc/82/10/23/486821023.db2.gz YLASPHXUDNOGTH-UHFFFAOYSA-N 1 2 176.223 1.223 20 0 ADADLO COC(C)(C)CN(C)c1cccc[nH+]1 675159916 486829411 /nfs/dbraw/zinc/82/94/11/486829411.db2.gz XZLKOQNQOSREFA-UHFFFAOYSA-N 1 2 194.278 1.943 20 0 ADADLO COC(C)(C)C[N@H+](C)CC(F)F 675199926 486831181 /nfs/dbraw/zinc/83/11/81/486831181.db2.gz MJAYNVOLYYIQGA-UHFFFAOYSA-N 1 2 181.226 1.608 20 0 ADADLO COC(C)(C)C[N@@H+](C)CC(F)F 675199926 486831186 /nfs/dbraw/zinc/83/11/86/486831186.db2.gz MJAYNVOLYYIQGA-UHFFFAOYSA-N 1 2 181.226 1.608 20 0 ADADLO Cc1[nH]c(C(=O)NC2CC=CC2)c[nH+]1 675415282 486836126 /nfs/dbraw/zinc/83/61/26/486836126.db2.gz QJMXCWDVXKXRQU-UHFFFAOYSA-N 1 2 191.234 1.167 20 0 ADADLO CC(C)OCC[N@H+](C)Cc1ncc[nH]1 675553311 486843420 /nfs/dbraw/zinc/84/34/20/486843420.db2.gz VJVAVLQQKFCEHF-UHFFFAOYSA-N 1 2 197.282 1.267 20 0 ADADLO CC(C)OCC[N@@H+](C)Cc1ncc[nH]1 675553311 486843425 /nfs/dbraw/zinc/84/34/25/486843425.db2.gz VJVAVLQQKFCEHF-UHFFFAOYSA-N 1 2 197.282 1.267 20 0 ADADLO COCC[N@H+](CC(F)F)CC1CC1 675639395 486845591 /nfs/dbraw/zinc/84/55/91/486845591.db2.gz JRZHGXJQKUOJBN-UHFFFAOYSA-N 1 2 193.237 1.610 20 0 ADADLO COCC[N@@H+](CC(F)F)CC1CC1 675639395 486845595 /nfs/dbraw/zinc/84/55/95/486845595.db2.gz JRZHGXJQKUOJBN-UHFFFAOYSA-N 1 2 193.237 1.610 20 0 ADADLO CCCCNC(=O)NCc1c[nH+]c[nH]1 84081858 486853189 /nfs/dbraw/zinc/85/31/89/486853189.db2.gz ZAHJRWZRIBWLJL-UHFFFAOYSA-N 1 2 196.254 1.009 20 0 ADADLO CCCCNC(=O)NCc1c[nH]c[nH+]1 84081858 486853196 /nfs/dbraw/zinc/85/31/96/486853196.db2.gz ZAHJRWZRIBWLJL-UHFFFAOYSA-N 1 2 196.254 1.009 20 0 ADADLO COCC[N@H+](CC(F)F)C(C)C 676041756 486854696 /nfs/dbraw/zinc/85/46/96/486854696.db2.gz NSWNSRAZXDCCIU-UHFFFAOYSA-N 1 2 181.226 1.608 20 0 ADADLO COCC[N@@H+](CC(F)F)C(C)C 676041756 486854700 /nfs/dbraw/zinc/85/47/00/486854700.db2.gz NSWNSRAZXDCCIU-UHFFFAOYSA-N 1 2 181.226 1.608 20 0 ADADLO CCOCC[N@H+](CC(F)F)C(C)C 676042099 486855157 /nfs/dbraw/zinc/85/51/57/486855157.db2.gz SKUPKISKVPBBHG-UHFFFAOYSA-N 1 2 195.253 1.998 20 0 ADADLO CCOCC[N@@H+](CC(F)F)C(C)C 676042099 486855165 /nfs/dbraw/zinc/85/51/65/486855165.db2.gz SKUPKISKVPBBHG-UHFFFAOYSA-N 1 2 195.253 1.998 20 0 ADADLO CCC(=O)N(C)CCCn1cc[nH+]c1 676066353 486855676 /nfs/dbraw/zinc/85/56/76/486855676.db2.gz ZGVTXJOSQPHBPY-UHFFFAOYSA-N 1 2 195.266 1.142 20 0 ADADLO Cc1ccc(C[NH+]2CC(C)(O)C2)o1 84357762 486858853 /nfs/dbraw/zinc/85/88/53/486858853.db2.gz PETZTQPGBWPNCK-UHFFFAOYSA-N 1 2 181.235 1.155 20 0 ADADLO CC1(O)C[NH+](Cc2ccsc2)C1 84356835 486858964 /nfs/dbraw/zinc/85/89/64/486858964.db2.gz MGUKUCVIBMZPOY-UHFFFAOYSA-N 1 2 183.276 1.315 20 0 ADADLO CC1(O)C[NH+](Cc2ccccc2F)C1 84357199 486859243 /nfs/dbraw/zinc/85/92/43/486859243.db2.gz AWWDSUXMUDUDIF-UHFFFAOYSA-N 1 2 195.237 1.392 20 0 ADADLO CC1(O)C[NH+](Cc2cccs2)C1 84356747 486859460 /nfs/dbraw/zinc/85/94/60/486859460.db2.gz YULGQJRITHRSQT-UHFFFAOYSA-N 1 2 183.276 1.315 20 0 ADADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H](C)O1 676462355 486861614 /nfs/dbraw/zinc/86/16/14/486861614.db2.gz KEPFOBWGAWQUFW-DTORHVGOSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H](C)O1 676462355 486861618 /nfs/dbraw/zinc/86/16/18/486861618.db2.gz KEPFOBWGAWQUFW-DTORHVGOSA-N 1 2 195.266 1.019 20 0 ADADLO OCCN(CC1CC1)c1cccc[nH+]1 676554951 486863762 /nfs/dbraw/zinc/86/37/62/486863762.db2.gz FHLBSZKMLOQUOX-UHFFFAOYSA-N 1 2 192.262 1.290 20 0 ADADLO Cc1cc(NC(=O)C2CC2)c(C)c[nH+]1 676588127 486865575 /nfs/dbraw/zinc/86/55/75/486865575.db2.gz PNWMIUXTOBILRT-UHFFFAOYSA-N 1 2 190.246 1.469 20 0 ADADLO C[C@H]1COCCC[N@@H+]1Cc1ccon1 676710909 486867987 /nfs/dbraw/zinc/86/79/87/486867987.db2.gz MRGAZEIIUIHVTM-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO C[C@H]1COCCC[N@H+]1Cc1ccon1 676710909 486867992 /nfs/dbraw/zinc/86/79/92/486867992.db2.gz MRGAZEIIUIHVTM-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO C[C@@H]1COCCC[N@@H+]1Cc1ccon1 676710907 486868332 /nfs/dbraw/zinc/86/83/32/486868332.db2.gz MRGAZEIIUIHVTM-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO C[C@@H]1COCCC[N@H+]1Cc1ccon1 676710907 486868337 /nfs/dbraw/zinc/86/83/37/486868337.db2.gz MRGAZEIIUIHVTM-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO Cc1nc(C[N@H+](C)CCC2CC2)no1 676716271 486868870 /nfs/dbraw/zinc/86/88/70/486868870.db2.gz ZUGSOGOCUFSIDG-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1nc(C[N@@H+](C)CCC2CC2)no1 676716271 486868879 /nfs/dbraw/zinc/86/88/79/486868879.db2.gz ZUGSOGOCUFSIDG-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO CCC[N@H+](CC)Cc1csnn1 676798062 486870148 /nfs/dbraw/zinc/87/01/48/486870148.db2.gz WAKQSEPPFQGQQM-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO CCC[N@@H+](CC)Cc1csnn1 676798062 486870154 /nfs/dbraw/zinc/87/01/54/486870154.db2.gz WAKQSEPPFQGQQM-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO Cc1nc(N2CC(C(C)C)C2)cc[nH+]1 677125165 486879858 /nfs/dbraw/zinc/87/98/58/486879858.db2.gz LPBDRNAIIGQUFZ-UHFFFAOYSA-N 1 2 191.278 1.877 20 0 ADADLO Cc1cc(N2CC(C(C)C)C2)nc[nH+]1 677125346 486879908 /nfs/dbraw/zinc/87/99/08/486879908.db2.gz UYCFTGZCVBICDR-UHFFFAOYSA-N 1 2 191.278 1.877 20 0 ADADLO c1cncc(C[NH2+]Cc2ccon2)c1 86452731 486881998 /nfs/dbraw/zinc/88/19/98/486881998.db2.gz WUQDZUBBRQFEPJ-UHFFFAOYSA-N 1 2 189.218 1.359 20 0 ADADLO Cc1[nH]c(C(=O)NC2(C)CCC2)c[nH+]1 677293312 486883197 /nfs/dbraw/zinc/88/31/97/486883197.db2.gz IYZBAFFLMPQTJL-UHFFFAOYSA-N 1 2 193.250 1.391 20 0 ADADLO Cc1cnc(COCc2[nH]cc[nH+]2)o1 677645625 486891255 /nfs/dbraw/zinc/89/12/55/486891255.db2.gz KOVOIRGGFLXJJA-UHFFFAOYSA-N 1 2 193.206 1.423 20 0 ADADLO Cc1cc(COCc2[nH]cc[nH+]2)on1 677646151 486891486 /nfs/dbraw/zinc/89/14/86/486891486.db2.gz UHWZQNIRTPHOIY-UHFFFAOYSA-N 1 2 193.206 1.423 20 0 ADADLO c1cncc(COCc2[nH]cc[nH+]2)c1 677646008 486891501 /nfs/dbraw/zinc/89/15/01/486891501.db2.gz QZKDMQPKRIQQEJ-UHFFFAOYSA-N 1 2 189.218 1.522 20 0 ADADLO Cc1cc(COCc2[nH]cc[nH+]2)no1 677645591 486891624 /nfs/dbraw/zinc/89/16/24/486891624.db2.gz IXQREOMUVAXQPQ-UHFFFAOYSA-N 1 2 193.206 1.423 20 0 ADADLO COCCCCCOCc1[nH]cc[nH+]1 677645754 486891649 /nfs/dbraw/zinc/89/16/49/486891649.db2.gz MLCRSFUCEGGKBH-UHFFFAOYSA-N 1 2 198.266 1.743 20 0 ADADLO c1ccc(COCc2[nH]cc[nH+]2)nc1 677645583 486891802 /nfs/dbraw/zinc/89/18/02/486891802.db2.gz IKRGWYFVDFUALF-UHFFFAOYSA-N 1 2 189.218 1.522 20 0 ADADLO CC(=O)C[N@@H+](C)Cc1cccc(C)n1 87332435 486893235 /nfs/dbraw/zinc/89/32/35/486893235.db2.gz OHRUDEFCTREETC-UHFFFAOYSA-N 1 2 192.262 1.411 20 0 ADADLO CC(=O)C[N@H+](C)Cc1cccc(C)n1 87332435 486893237 /nfs/dbraw/zinc/89/32/37/486893237.db2.gz OHRUDEFCTREETC-UHFFFAOYSA-N 1 2 192.262 1.411 20 0 ADADLO COCC1([N@H+](C)Cc2ccon2)CC1 677727064 486895196 /nfs/dbraw/zinc/89/51/96/486895196.db2.gz RXOGXZYYWDXURU-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO COCC1([N@@H+](C)Cc2ccon2)CC1 677727064 486895201 /nfs/dbraw/zinc/89/52/01/486895201.db2.gz RXOGXZYYWDXURU-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]c1 87689657 486900779 /nfs/dbraw/zinc/90/07/79/486900779.db2.gz MXFXJOMGOCEORZ-BBBLOLIVSA-N 1 2 190.246 1.813 20 0 ADADLO CCc1cc(N[C@@H]2CCOC2)nc[nH+]1 87787798 486903288 /nfs/dbraw/zinc/90/32/88/486903288.db2.gz XKGHYSLOIPIHCL-SECBINFHSA-N 1 2 193.250 1.240 20 0 ADADLO CCNc1cc(NC2CC2)nc[nH+]1 87807075 486905023 /nfs/dbraw/zinc/90/50/23/486905023.db2.gz XBGUJFBVENHVMQ-UHFFFAOYSA-N 1 2 178.239 1.483 20 0 ADADLO CCNc1cc(NC2CC2)[nH+]cn1 87807075 486905025 /nfs/dbraw/zinc/90/50/25/486905025.db2.gz XBGUJFBVENHVMQ-UHFFFAOYSA-N 1 2 178.239 1.483 20 0 ADADLO CN(C[C@@H](O)C1CC1)c1cccc[nH+]1 677880736 486905712 /nfs/dbraw/zinc/90/57/12/486905712.db2.gz BCFVAADJRXFXTA-SNVBAGLBSA-N 1 2 192.262 1.289 20 0 ADADLO CN(C[C@H](O)C1CC1)c1cccc[nH+]1 677880734 486905899 /nfs/dbraw/zinc/90/58/99/486905899.db2.gz BCFVAADJRXFXTA-JTQLQIEISA-N 1 2 192.262 1.289 20 0 ADADLO CN(CCn1cc[nH+]c1)CC(F)F 677983477 486910933 /nfs/dbraw/zinc/91/09/33/486910933.db2.gz LCVTYBBMBWCHEY-UHFFFAOYSA-N 1 2 189.209 1.080 20 0 ADADLO Cc1cn(Cc2ccc[nH+]c2C)nn1 93510375 486912174 /nfs/dbraw/zinc/91/21/74/486912174.db2.gz ZWZCQWHMHOEWFQ-UHFFFAOYSA-N 1 2 188.234 1.338 20 0 ADADLO CCNC(=O)Nc1cc(C)[nH+]cc1C 678097177 486917682 /nfs/dbraw/zinc/91/76/82/486917682.db2.gz SGIAOEWKWXQBRJ-UHFFFAOYSA-N 1 2 193.250 1.262 20 0 ADADLO CCCC[N@H+](C)Cc1csnn1 678120794 486917740 /nfs/dbraw/zinc/91/77/40/486917740.db2.gz ODBBWRIRFLOCMX-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO CCCC[N@@H+](C)Cc1csnn1 678120794 486917749 /nfs/dbraw/zinc/91/77/49/486917749.db2.gz ODBBWRIRFLOCMX-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccco1 678124496 486918615 /nfs/dbraw/zinc/91/86/15/486918615.db2.gz ZQKZMDODGXWMEG-UHFFFAOYSA-N 1 2 191.234 1.635 20 0 ADADLO C[N@H+](Cc1cn[nH]c1)Cc1ccco1 678124496 486918618 /nfs/dbraw/zinc/91/86/18/486918618.db2.gz ZQKZMDODGXWMEG-UHFFFAOYSA-N 1 2 191.234 1.635 20 0 ADADLO CC[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 678131352 486918655 /nfs/dbraw/zinc/91/86/55/486918655.db2.gz ADEKTDSQLNDUFO-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 678131352 486918659 /nfs/dbraw/zinc/91/86/59/486918659.db2.gz ADEKTDSQLNDUFO-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO c1snnc1C[NH+]1C2CCC1CC2 678131918 486918720 /nfs/dbraw/zinc/91/87/20/486918720.db2.gz RGALMUVIHJXMLN-UHFFFAOYSA-N 1 2 195.291 1.665 20 0 ADADLO c1ccc2c(c1)C[NH+](Cc1cn[nH]c1)C2 678241111 486927465 /nfs/dbraw/zinc/92/74/65/486927465.db2.gz QLOFCCGUVAOEPG-UHFFFAOYSA-N 1 2 199.257 1.926 20 0 ADADLO CCC[N@H+](C)Cc1csnn1 678132704 486918896 /nfs/dbraw/zinc/91/88/96/486918896.db2.gz LRBQAHYEVJTEDJ-UHFFFAOYSA-N 1 2 171.269 1.380 20 0 ADADLO CCC[N@@H+](C)Cc1csnn1 678132704 486918900 /nfs/dbraw/zinc/91/89/00/486918900.db2.gz LRBQAHYEVJTEDJ-UHFFFAOYSA-N 1 2 171.269 1.380 20 0 ADADLO CC[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 678131353 486919394 /nfs/dbraw/zinc/91/93/94/486919394.db2.gz ADEKTDSQLNDUFO-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 678131353 486919398 /nfs/dbraw/zinc/91/93/98/486919398.db2.gz ADEKTDSQLNDUFO-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO CC(C)C[N@H+](C)Cc1csnn1 678133264 486920370 /nfs/dbraw/zinc/92/03/70/486920370.db2.gz ZKHYOBNQQPMZJG-UHFFFAOYSA-N 1 2 185.296 1.626 20 0 ADADLO CC(C)C[N@@H+](C)Cc1csnn1 678133264 486920374 /nfs/dbraw/zinc/92/03/74/486920374.db2.gz ZKHYOBNQQPMZJG-UHFFFAOYSA-N 1 2 185.296 1.626 20 0 ADADLO CC[N@H+](CCOC)Cc1cn[nH]c1C 678134226 486920513 /nfs/dbraw/zinc/92/05/13/486920513.db2.gz KPZUOVGNPREJME-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO CC[N@@H+](CCOC)Cc1cn[nH]c1C 678134226 486920515 /nfs/dbraw/zinc/92/05/15/486920515.db2.gz KPZUOVGNPREJME-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO CC[C@H](C)[N@H+](C)Cc1csnn1 678141233 486921132 /nfs/dbraw/zinc/92/11/32/486921132.db2.gz SLASBGVWSPDKGJ-ZETCQYMHSA-N 1 2 185.296 1.768 20 0 ADADLO CC[C@H](C)[N@@H+](C)Cc1csnn1 678141233 486921135 /nfs/dbraw/zinc/92/11/35/486921135.db2.gz SLASBGVWSPDKGJ-ZETCQYMHSA-N 1 2 185.296 1.768 20 0 ADADLO CC[N@H+](Cc1csnn1)C1CC1 678138303 486921689 /nfs/dbraw/zinc/92/16/89/486921689.db2.gz BYKULDPONUDPJS-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO CC[N@@H+](Cc1csnn1)C1CC1 678138303 486921694 /nfs/dbraw/zinc/92/16/94/486921694.db2.gz BYKULDPONUDPJS-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO CC[C@@H](C)[N@H+](C)Cc1csnn1 678141231 486921988 /nfs/dbraw/zinc/92/19/88/486921988.db2.gz SLASBGVWSPDKGJ-SSDOTTSWSA-N 1 2 185.296 1.768 20 0 ADADLO CC[C@@H](C)[N@@H+](C)Cc1csnn1 678141231 486921993 /nfs/dbraw/zinc/92/19/93/486921993.db2.gz SLASBGVWSPDKGJ-SSDOTTSWSA-N 1 2 185.296 1.768 20 0 ADADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)[C@@H](C)CO1 678153673 486922560 /nfs/dbraw/zinc/92/25/60/486922560.db2.gz PQAAAAQKZHFJSN-IUCAKERBSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)[C@@H](C)CO1 678153673 486922564 /nfs/dbraw/zinc/92/25/64/486922564.db2.gz PQAAAAQKZHFJSN-IUCAKERBSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H]1C[N@H+](Cc2cn[nH]c2)[C@H](C)CO1 678153674 486922633 /nfs/dbraw/zinc/92/26/33/486922633.db2.gz PQAAAAQKZHFJSN-RKDXNWHRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cn[nH]c2)[C@H](C)CO1 678153674 486922635 /nfs/dbraw/zinc/92/26/35/486922635.db2.gz PQAAAAQKZHFJSN-RKDXNWHRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H](C1CC1)[N@H+](C)Cc1csnn1 678144767 486922668 /nfs/dbraw/zinc/92/26/68/486922668.db2.gz QUIDLIODXJIJNF-ZETCQYMHSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@@H](C1CC1)[N@@H+](C)Cc1csnn1 678144767 486922672 /nfs/dbraw/zinc/92/26/72/486922672.db2.gz QUIDLIODXJIJNF-ZETCQYMHSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@@H+]1Cc1cn[nH]c1 678153672 486922697 /nfs/dbraw/zinc/92/26/97/486922697.db2.gz PQAAAAQKZHFJSN-DTWKUNHWSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@H+]1Cc1cn[nH]c1 678153672 486922702 /nfs/dbraw/zinc/92/27/02/486922702.db2.gz PQAAAAQKZHFJSN-DTWKUNHWSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1C[N@H+](Cc2cn[nH]c2)[C@H](C)CO1 678153671 486923047 /nfs/dbraw/zinc/92/30/47/486923047.db2.gz PQAAAAQKZHFJSN-BDAKNGLRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1C[N@@H+](Cc2cn[nH]c2)[C@H](C)CO1 678153671 486923051 /nfs/dbraw/zinc/92/30/51/486923051.db2.gz PQAAAAQKZHFJSN-BDAKNGLRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H](C1CC1)[N@H+](C)Cc1csnn1 678144766 486923214 /nfs/dbraw/zinc/92/32/14/486923214.db2.gz QUIDLIODXJIJNF-SSDOTTSWSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H](C1CC1)[N@@H+](C)Cc1csnn1 678144766 486923217 /nfs/dbraw/zinc/92/32/17/486923217.db2.gz QUIDLIODXJIJNF-SSDOTTSWSA-N 1 2 197.307 1.768 20 0 ADADLO CC(C)[N@H+](Cc1csnn1)C1CC1 678152163 486923352 /nfs/dbraw/zinc/92/33/52/486923352.db2.gz GGIYPIVDMVCFBA-UHFFFAOYSA-N 1 2 197.307 1.911 20 0 ADADLO CC(C)[N@@H+](Cc1csnn1)C1CC1 678152163 486923356 /nfs/dbraw/zinc/92/33/56/486923356.db2.gz GGIYPIVDMVCFBA-UHFFFAOYSA-N 1 2 197.307 1.911 20 0 ADADLO CC[C@H]1COCC[N@@H+]1Cc1cn[nH]c1 678182572 486924360 /nfs/dbraw/zinc/92/43/60/486924360.db2.gz UWDUTAYIYNGCNN-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@H]1COCC[N@H+]1Cc1cn[nH]c1 678182572 486924365 /nfs/dbraw/zinc/92/43/65/486924365.db2.gz UWDUTAYIYNGCNN-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@@H]1COCC[N@@H+]1Cc1cn[nH]c1 678182573 486924465 /nfs/dbraw/zinc/92/44/65/486924465.db2.gz UWDUTAYIYNGCNN-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@@H]1COCC[N@H+]1Cc1cn[nH]c1 678182573 486924468 /nfs/dbraw/zinc/92/44/68/486924468.db2.gz UWDUTAYIYNGCNN-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO CC1(C)C[N@H+](Cc2cn[nH]c2)CCO1 678178553 486924651 /nfs/dbraw/zinc/92/46/51/486924651.db2.gz NGOCJIPRJOEDNM-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO CC1(C)C[N@@H+](Cc2cn[nH]c2)CCO1 678178553 486924656 /nfs/dbraw/zinc/92/46/56/486924656.db2.gz NGOCJIPRJOEDNM-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO COC[C@H](C)[N@H+](C)Cc1cn[nH]c1C 678193182 486925510 /nfs/dbraw/zinc/92/55/10/486925510.db2.gz QPJBXOXQEWOFDD-QMMMGPOBSA-N 1 2 197.282 1.185 20 0 ADADLO COC[C@H](C)[N@@H+](C)Cc1cn[nH]c1C 678193182 486925514 /nfs/dbraw/zinc/92/55/14/486925514.db2.gz QPJBXOXQEWOFDD-QMMMGPOBSA-N 1 2 197.282 1.185 20 0 ADADLO COC[C@@H](C)[N@H+](C)Cc1cn[nH]c1C 678193181 486925531 /nfs/dbraw/zinc/92/55/31/486925531.db2.gz QPJBXOXQEWOFDD-MRVPVSSYSA-N 1 2 197.282 1.185 20 0 ADADLO COC[C@@H](C)[N@@H+](C)Cc1cn[nH]c1C 678193181 486925535 /nfs/dbraw/zinc/92/55/35/486925535.db2.gz QPJBXOXQEWOFDD-MRVPVSSYSA-N 1 2 197.282 1.185 20 0 ADADLO CC1(C)COCC[N@@H+]1Cc1cn[nH]c1 678210731 486926114 /nfs/dbraw/zinc/92/61/14/486926114.db2.gz UOAVPDSIRDFCCS-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO CC1(C)COCC[N@H+]1Cc1cn[nH]c1 678210731 486926119 /nfs/dbraw/zinc/92/61/19/486926119.db2.gz UOAVPDSIRDFCCS-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO COCCC[N@H+](C)Cc1cn[nH]c1C 678215739 486926203 /nfs/dbraw/zinc/92/62/03/486926203.db2.gz GKCICLXEYGKVLJ-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO COCCC[N@@H+](C)Cc1cn[nH]c1C 678215739 486926206 /nfs/dbraw/zinc/92/62/06/486926206.db2.gz GKCICLXEYGKVLJ-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO CCCC[N@H+](CC)Cc1n[nH]c(=O)[nH]1 678219751 486926800 /nfs/dbraw/zinc/92/68/00/486926800.db2.gz WETNBIGZPDDHHV-UHFFFAOYSA-N 1 2 198.270 1.132 20 0 ADADLO CCCC[N@@H+](CC)Cc1n[nH]c(=O)[nH]1 678219751 486926804 /nfs/dbraw/zinc/92/68/04/486926804.db2.gz WETNBIGZPDDHHV-UHFFFAOYSA-N 1 2 198.270 1.132 20 0 ADADLO C[C@@H]1OCC[N@H+](Cc2cn[nH]c2)[C@H]1C 678267363 486927887 /nfs/dbraw/zinc/92/78/87/486927887.db2.gz PPGYGYSUAUPIHW-IUCAKERBSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H]1OCC[N@@H+](Cc2cn[nH]c2)[C@H]1C 678267363 486927892 /nfs/dbraw/zinc/92/78/92/486927892.db2.gz PPGYGYSUAUPIHW-IUCAKERBSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1OCC[N@H+](Cc2cn[nH]c2)[C@@H]1C 678267364 486928075 /nfs/dbraw/zinc/92/80/75/486928075.db2.gz PPGYGYSUAUPIHW-RKDXNWHRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1OCC[N@@H+](Cc2cn[nH]c2)[C@@H]1C 678267364 486928080 /nfs/dbraw/zinc/92/80/80/486928080.db2.gz PPGYGYSUAUPIHW-RKDXNWHRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H]1OCC[N@H+](Cc2cn[nH]c2)[C@@H]1C 678267361 486928306 /nfs/dbraw/zinc/92/83/06/486928306.db2.gz PPGYGYSUAUPIHW-BDAKNGLRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H]1OCC[N@@H+](Cc2cn[nH]c2)[C@@H]1C 678267361 486928311 /nfs/dbraw/zinc/92/83/11/486928311.db2.gz PPGYGYSUAUPIHW-BDAKNGLRSA-N 1 2 195.266 1.019 20 0 ADADLO CC[N@@H+](Cc1csnn1)CC1CC1 678263022 486928342 /nfs/dbraw/zinc/92/83/42/486928342.db2.gz AJMQSIQVPVHIAY-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC[N@H+](Cc1csnn1)CC1CC1 678263022 486928347 /nfs/dbraw/zinc/92/83/47/486928347.db2.gz AJMQSIQVPVHIAY-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@H]1[C@@H](C)OCC[N@@H+]1Cc1cn[nH]c1 678267362 486928484 /nfs/dbraw/zinc/92/84/84/486928484.db2.gz PPGYGYSUAUPIHW-DTWKUNHWSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1[C@@H](C)OCC[N@H+]1Cc1cn[nH]c1 678267362 486928489 /nfs/dbraw/zinc/92/84/89/486928489.db2.gz PPGYGYSUAUPIHW-DTWKUNHWSA-N 1 2 195.266 1.019 20 0 ADADLO OCC1(CNc2cccc[nH+]2)CC1 118907477 486929059 /nfs/dbraw/zinc/92/90/59/486929059.db2.gz PQYYHFNCDXUBOF-UHFFFAOYSA-N 1 2 178.235 1.266 20 0 ADADLO CCC(CC)C[N@H+](C)Cc1nnc[nH]1 678271184 486929327 /nfs/dbraw/zinc/92/93/27/486929327.db2.gz HSGXZSWMEYIOBX-UHFFFAOYSA-N 1 2 196.298 1.673 20 0 ADADLO CCC(CC)C[N@@H+](C)Cc1nnc[nH]1 678271184 486929334 /nfs/dbraw/zinc/92/93/34/486929334.db2.gz HSGXZSWMEYIOBX-UHFFFAOYSA-N 1 2 196.298 1.673 20 0 ADADLO CC[N@H+](Cc1csnn1)C1CCC1 678273640 486930413 /nfs/dbraw/zinc/93/04/13/486930413.db2.gz OPWOJXLLECDWBO-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO CC[N@@H+](Cc1csnn1)C1CCC1 678273640 486930415 /nfs/dbraw/zinc/93/04/15/486930415.db2.gz OPWOJXLLECDWBO-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO CC(C)C[C@H](C)[N@H+](C)Cc1nnc[nH]1 678348774 486933224 /nfs/dbraw/zinc/93/32/24/486933224.db2.gz ABYOEVPRLDLZIZ-VIFPVBQESA-N 1 2 196.298 1.671 20 0 ADADLO CC(C)C[C@H](C)[N@@H+](C)Cc1nnc[nH]1 678348774 486933229 /nfs/dbraw/zinc/93/32/29/486933229.db2.gz ABYOEVPRLDLZIZ-VIFPVBQESA-N 1 2 196.298 1.671 20 0 ADADLO CC(C)C[C@@H](C)[N@H+](C)Cc1nnc[nH]1 678348773 486933296 /nfs/dbraw/zinc/93/32/96/486933296.db2.gz ABYOEVPRLDLZIZ-SECBINFHSA-N 1 2 196.298 1.671 20 0 ADADLO CC(C)C[C@@H](C)[N@@H+](C)Cc1nnc[nH]1 678348773 486933300 /nfs/dbraw/zinc/93/33/00/486933300.db2.gz ABYOEVPRLDLZIZ-SECBINFHSA-N 1 2 196.298 1.671 20 0 ADADLO C[N@H+](CCC1CC1)Cc1csnn1 678340587 486933428 /nfs/dbraw/zinc/93/34/28/486933428.db2.gz XCBHFRCCKBVJTR-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1csnn1 678340587 486933430 /nfs/dbraw/zinc/93/34/30/486933430.db2.gz XCBHFRCCKBVJTR-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO Cc1[nH]ncc1C[N@H+](C)CCC1CC1 678338483 486933799 /nfs/dbraw/zinc/93/37/99/486933799.db2.gz BHAGWDQHTSCYPV-UHFFFAOYSA-N 1 2 193.294 1.950 20 0 ADADLO Cc1[nH]ncc1C[N@@H+](C)CCC1CC1 678338483 486933802 /nfs/dbraw/zinc/93/38/02/486933802.db2.gz BHAGWDQHTSCYPV-UHFFFAOYSA-N 1 2 193.294 1.950 20 0 ADADLO CC(C)[N@H+](CC(F)F)[C@@H]1CCOC1 678349729 486934125 /nfs/dbraw/zinc/93/41/25/486934125.db2.gz ZRTPQZYGOZQRGC-MRVPVSSYSA-N 1 2 193.237 1.751 20 0 ADADLO CC(C)[N@@H+](CC(F)F)[C@@H]1CCOC1 678349729 486934129 /nfs/dbraw/zinc/93/41/29/486934129.db2.gz ZRTPQZYGOZQRGC-MRVPVSSYSA-N 1 2 193.237 1.751 20 0 ADADLO CC(C)[N@H+](CC(F)F)[C@H]1CCOC1 678349731 486934289 /nfs/dbraw/zinc/93/42/89/486934289.db2.gz ZRTPQZYGOZQRGC-QMMMGPOBSA-N 1 2 193.237 1.751 20 0 ADADLO CC(C)[N@@H+](CC(F)F)[C@H]1CCOC1 678349731 486934293 /nfs/dbraw/zinc/93/42/93/486934293.db2.gz ZRTPQZYGOZQRGC-QMMMGPOBSA-N 1 2 193.237 1.751 20 0 ADADLO C[C@@H](O)CCC[N@H+](C)CC(F)F 122792284 486936292 /nfs/dbraw/zinc/93/62/92/486936292.db2.gz YDUCIMQOOXKQFV-SSDOTTSWSA-N 1 2 181.226 1.344 20 0 ADADLO C[C@@H](O)CCC[N@@H+](C)CC(F)F 122792284 486936295 /nfs/dbraw/zinc/93/62/95/486936295.db2.gz YDUCIMQOOXKQFV-SSDOTTSWSA-N 1 2 181.226 1.344 20 0 ADADLO C[N@H+](CC(F)F)C[C@H](O)C(C)(C)C 122800512 486936389 /nfs/dbraw/zinc/93/63/89/486936389.db2.gz ZTWOLKACFBRGBS-ZETCQYMHSA-N 1 2 195.253 1.590 20 0 ADADLO C[N@@H+](CC(F)F)C[C@H](O)C(C)(C)C 122800512 486936393 /nfs/dbraw/zinc/93/63/93/486936393.db2.gz ZTWOLKACFBRGBS-ZETCQYMHSA-N 1 2 195.253 1.590 20 0 ADADLO C[N@H+](CC(F)F)C[C@@H](O)C(C)(C)C 122800267 486936445 /nfs/dbraw/zinc/93/64/45/486936445.db2.gz ZTWOLKACFBRGBS-SSDOTTSWSA-N 1 2 195.253 1.590 20 0 ADADLO C[N@@H+](CC(F)F)C[C@@H](O)C(C)(C)C 122800267 486936449 /nfs/dbraw/zinc/93/64/49/486936449.db2.gz ZTWOLKACFBRGBS-SSDOTTSWSA-N 1 2 195.253 1.590 20 0 ADADLO C[C@H](O)CCC[N@H+](C)CC(F)F 122792065 486936548 /nfs/dbraw/zinc/93/65/48/486936548.db2.gz YDUCIMQOOXKQFV-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO C[C@H](O)CCC[N@@H+](C)CC(F)F 122792065 486936552 /nfs/dbraw/zinc/93/65/52/486936552.db2.gz YDUCIMQOOXKQFV-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO COCC[N@H+](C)[C@@H](C)c1ncc(C)o1 678461778 486936602 /nfs/dbraw/zinc/93/66/02/486936602.db2.gz PDVGDKBTXFGYRB-VIFPVBQESA-N 1 2 198.266 1.622 20 0 ADADLO COCC[N@@H+](C)[C@@H](C)c1ncc(C)o1 678461778 486936608 /nfs/dbraw/zinc/93/66/08/486936608.db2.gz PDVGDKBTXFGYRB-VIFPVBQESA-N 1 2 198.266 1.622 20 0 ADADLO COCC[N@H+](C)[C@H](C)c1ncc(C)o1 678461777 486936791 /nfs/dbraw/zinc/93/67/91/486936791.db2.gz PDVGDKBTXFGYRB-SECBINFHSA-N 1 2 198.266 1.622 20 0 ADADLO COCC[N@@H+](C)[C@H](C)c1ncc(C)o1 678461777 486936796 /nfs/dbraw/zinc/93/67/96/486936796.db2.gz PDVGDKBTXFGYRB-SECBINFHSA-N 1 2 198.266 1.622 20 0 ADADLO CCOCCN(C)c1cc[nH+]c(C)n1 678484491 486937360 /nfs/dbraw/zinc/93/73/60/486937360.db2.gz PSBJEOVJPCMMBQ-UHFFFAOYSA-N 1 2 195.266 1.258 20 0 ADADLO CCOCCN(C)c1cc(C)[nH+]cn1 678485347 486937562 /nfs/dbraw/zinc/93/75/62/486937562.db2.gz XROITBSGUCXDIQ-UHFFFAOYSA-N 1 2 195.266 1.258 20 0 ADADLO CCOCC[N@H+](C)Cc1ncc(C)o1 678536564 486939197 /nfs/dbraw/zinc/93/91/97/486939197.db2.gz IKCMRHWZUUKHDC-UHFFFAOYSA-N 1 2 198.266 1.451 20 0 ADADLO CCOCC[N@@H+](C)Cc1ncc(C)o1 678536564 486939200 /nfs/dbraw/zinc/93/92/00/486939200.db2.gz IKCMRHWZUUKHDC-UHFFFAOYSA-N 1 2 198.266 1.451 20 0 ADADLO COC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1C 134540047 486941677 /nfs/dbraw/zinc/94/16/77/486941677.db2.gz XZLKVIRYUVQHKZ-YUMQZZPRSA-N 1 2 197.282 1.404 20 0 ADADLO COC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1C 134540024 486941775 /nfs/dbraw/zinc/94/17/75/486941775.db2.gz XZLKVIRYUVQHKZ-JGVFFNPUSA-N 1 2 197.282 1.404 20 0 ADADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCOC1 134595481 486942334 /nfs/dbraw/zinc/94/23/34/486942334.db2.gz AKYCBQDUAXCSTI-VXNVDRBHSA-N 1 2 195.266 1.158 20 0 ADADLO COc1c(NC2CCC2)nc[nH+]c1N 134877343 486942527 /nfs/dbraw/zinc/94/25/27/486942527.db2.gz HHLICHCYGGVXLY-UHFFFAOYSA-N 1 2 194.238 1.032 20 0 ADADLO COc1c(N)nc[nH+]c1NC1CCC1 134877343 486942531 /nfs/dbraw/zinc/94/25/31/486942531.db2.gz HHLICHCYGGVXLY-UHFFFAOYSA-N 1 2 194.238 1.032 20 0 ADADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCOC1 134595502 486942691 /nfs/dbraw/zinc/94/26/91/486942691.db2.gz AKYCBQDUAXCSTI-IONNQARKSA-N 1 2 195.266 1.158 20 0 ADADLO CCCCNc1nc[nH+]c(N)c1OC 134813925 486942715 /nfs/dbraw/zinc/94/27/15/486942715.db2.gz BPAQPRKJHLMUCX-UHFFFAOYSA-N 1 2 196.254 1.279 20 0 ADADLO CCCCNc1[nH+]cnc(N)c1OC 134813925 486942718 /nfs/dbraw/zinc/94/27/18/486942718.db2.gz BPAQPRKJHLMUCX-UHFFFAOYSA-N 1 2 196.254 1.279 20 0 ADADLO COc1c(NCC(C)C)nc[nH+]c1N 134811854 486942773 /nfs/dbraw/zinc/94/27/73/486942773.db2.gz VUTKTBCUIVYSNS-UHFFFAOYSA-N 1 2 196.254 1.135 20 0 ADADLO COc1c(N)nc[nH+]c1NCC(C)C 134811854 486942775 /nfs/dbraw/zinc/94/27/75/486942775.db2.gz VUTKTBCUIVYSNS-UHFFFAOYSA-N 1 2 196.254 1.135 20 0 ADADLO Cc1nc(C[NH+](C(C)C)C(C)C)no1 678714363 486942936 /nfs/dbraw/zinc/94/29/36/486942936.db2.gz KQJCEELGONTIHH-UHFFFAOYSA-N 1 2 197.282 1.997 20 0 ADADLO CCC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 678714773 486943081 /nfs/dbraw/zinc/94/30/81/486943081.db2.gz OTPAUMJCLDPHAO-ZETCQYMHSA-N 1 2 198.270 1.131 20 0 ADADLO CCC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 678714773 486943082 /nfs/dbraw/zinc/94/30/82/486943082.db2.gz OTPAUMJCLDPHAO-ZETCQYMHSA-N 1 2 198.270 1.131 20 0 ADADLO CCC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 678714772 486943727 /nfs/dbraw/zinc/94/37/27/486943727.db2.gz OTPAUMJCLDPHAO-SSDOTTSWSA-N 1 2 198.270 1.131 20 0 ADADLO CCC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 678714772 486943734 /nfs/dbraw/zinc/94/37/34/486943734.db2.gz OTPAUMJCLDPHAO-SSDOTTSWSA-N 1 2 198.270 1.131 20 0 ADADLO CCC(C)(C)[N@H+](C)Cc1n[nH]c(=O)[nH]1 678716963 486945007 /nfs/dbraw/zinc/94/50/07/486945007.db2.gz CTNRMUWBSGJHSD-UHFFFAOYSA-N 1 2 198.270 1.131 20 0 ADADLO CCC(C)(C)[N@@H+](C)Cc1n[nH]c(=O)[nH]1 678716963 486945010 /nfs/dbraw/zinc/94/50/10/486945010.db2.gz CTNRMUWBSGJHSD-UHFFFAOYSA-N 1 2 198.270 1.131 20 0 ADADLO COCCCN(C)c1cc[nH+]cc1F 678787807 486945469 /nfs/dbraw/zinc/94/54/69/486945469.db2.gz ZSEAXZMHXGYFGY-UHFFFAOYSA-N 1 2 198.241 1.693 20 0 ADADLO C[C@H](O)CCN(C)c1cc[nH+]cc1F 678787476 486945597 /nfs/dbraw/zinc/94/55/97/486945597.db2.gz PIIZWHFOFHBSLX-QMMMGPOBSA-N 1 2 198.241 1.428 20 0 ADADLO CN(CC(C)(C)O)c1cc[nH+]cc1F 678787421 486945614 /nfs/dbraw/zinc/94/56/14/486945614.db2.gz NZQQUECSBDEGDX-UHFFFAOYSA-N 1 2 198.241 1.428 20 0 ADADLO CCCN(CCO)c1cc[nH+]cc1F 678787268 486945775 /nfs/dbraw/zinc/94/57/75/486945775.db2.gz GNGSNNVFQMAGLX-UHFFFAOYSA-N 1 2 198.241 1.429 20 0 ADADLO C[C@@H](O)CCN(C)c1cc[nH+]cc1F 678787475 486945855 /nfs/dbraw/zinc/94/58/55/486945855.db2.gz PIIZWHFOFHBSLX-MRVPVSSYSA-N 1 2 198.241 1.428 20 0 ADADLO FC1(F)CC[N@@H+]([C@@H]2CCCOC2)C1 678975325 486950745 /nfs/dbraw/zinc/95/07/45/486950745.db2.gz UTEPNSLXWYURIJ-MRVPVSSYSA-N 1 2 191.221 1.506 20 0 ADADLO FC1(F)CC[N@H+]([C@@H]2CCCOC2)C1 678975325 486950747 /nfs/dbraw/zinc/95/07/47/486950747.db2.gz UTEPNSLXWYURIJ-MRVPVSSYSA-N 1 2 191.221 1.506 20 0 ADADLO CCOCCC[N@@H+]1CCC(F)(F)C1 678975352 486950812 /nfs/dbraw/zinc/95/08/12/486950812.db2.gz VLOKDUOKNBOPOF-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO CCOCCC[N@H+]1CCC(F)(F)C1 678975352 486950814 /nfs/dbraw/zinc/95/08/14/486950814.db2.gz VLOKDUOKNBOPOF-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO FC1(F)CC[N@@H+]([C@H]2CCCOC2)C1 678975327 486950918 /nfs/dbraw/zinc/95/09/18/486950918.db2.gz UTEPNSLXWYURIJ-QMMMGPOBSA-N 1 2 191.221 1.506 20 0 ADADLO FC1(F)CC[N@H+]([C@H]2CCCOC2)C1 678975327 486950921 /nfs/dbraw/zinc/95/09/21/486950921.db2.gz UTEPNSLXWYURIJ-QMMMGPOBSA-N 1 2 191.221 1.506 20 0 ADADLO CC1(C[N@@H+]2CCC(F)(F)C2)COC1 678975082 486951047 /nfs/dbraw/zinc/95/10/47/486951047.db2.gz PKDUOQOFFWUQMW-UHFFFAOYSA-N 1 2 191.221 1.364 20 0 ADADLO CC1(C[N@H+]2CCC(F)(F)C2)COC1 678975082 486951051 /nfs/dbraw/zinc/95/10/51/486951051.db2.gz PKDUOQOFFWUQMW-UHFFFAOYSA-N 1 2 191.221 1.364 20 0 ADADLO c1c[nH+]c(COC[C@H]2CCCOC2)[nH]1 679009910 486951465 /nfs/dbraw/zinc/95/14/65/486951465.db2.gz 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/nfs/dbraw/zinc/95/48/69/486954869.db2.gz CXWFPWQZYFCHTH-UHFFFAOYSA-N 1 2 174.194 1.380 20 0 ADADLO Cc1ccncc1C[NH2+]CC(F)F 147409132 486954930 /nfs/dbraw/zinc/95/49/30/486954930.db2.gz VZYRNQNJLXMRRL-UHFFFAOYSA-N 1 2 186.205 1.745 20 0 ADADLO FC(F)C[NH2+]Cc1cc[nH]c1 147314608 486955168 /nfs/dbraw/zinc/95/51/68/486955168.db2.gz QLAMWAHYLABHOZ-UHFFFAOYSA-N 1 2 160.167 1.369 20 0 ADADLO Cc1n[nH]c(C)c1C[NH2+]CC(F)F 147400259 486955234 /nfs/dbraw/zinc/95/52/34/486955234.db2.gz CRRYVOIMKHFGQH-UHFFFAOYSA-N 1 2 189.209 1.381 20 0 ADADLO Cn1cccc1C[NH2+]CC(F)F 147371103 486955284 /nfs/dbraw/zinc/95/52/84/486955284.db2.gz AZLLLPSZNVGTEV-UHFFFAOYSA-N 1 2 174.194 1.380 20 0 ADADLO Oc1ccc(C[NH2+]CC(F)F)cc1 147344824 486955359 /nfs/dbraw/zinc/95/53/59/486955359.db2.gz VJMFBDRPLNJUSX-UHFFFAOYSA-N 1 2 187.189 1.747 20 0 ADADLO Cc1ncccc1C[NH2+]CC(F)F 147740269 486957194 /nfs/dbraw/zinc/95/71/94/486957194.db2.gz DSFJYCLFJJDFCX-UHFFFAOYSA-N 1 2 186.205 1.745 20 0 ADADLO CC(C)[NH+](Cc1n[nH]c(=O)[nH]1)C(C)C 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193.250 1.701 20 0 ADADLO Cc1noc([C@H](C)[N@@H+]2CC=CCC2)n1 679324644 486959675 /nfs/dbraw/zinc/95/96/75/486959675.db2.gz ZSGMAOSSZJUVEU-QMMMGPOBSA-N 1 2 193.250 1.701 20 0 ADADLO CCc1cnc(C[N@H+]2CC=CCC2)o1 679324119 486960016 /nfs/dbraw/zinc/96/00/16/486960016.db2.gz QHFIDTJKMCXWBB-UHFFFAOYSA-N 1 2 192.262 1.999 20 0 ADADLO CCc1cnc(C[N@@H+]2CC=CCC2)o1 679324119 486960022 /nfs/dbraw/zinc/96/00/22/486960022.db2.gz QHFIDTJKMCXWBB-UHFFFAOYSA-N 1 2 192.262 1.999 20 0 ADADLO CCc1nnc(C[N@H+]2CC=CCC2)o1 679324229 486960246 /nfs/dbraw/zinc/96/02/46/486960246.db2.gz PSQRBUNWIYJCDB-UHFFFAOYSA-N 1 2 193.250 1.394 20 0 ADADLO CCc1nnc(C[N@@H+]2CC=CCC2)o1 679324229 486960252 /nfs/dbraw/zinc/96/02/52/486960252.db2.gz PSQRBUNWIYJCDB-UHFFFAOYSA-N 1 2 193.250 1.394 20 0 ADADLO Cc1noc([C@@H](C)[N@H+]2CC=CCC2)n1 679324643 486960303 /nfs/dbraw/zinc/96/03/03/486960303.db2.gz ZSGMAOSSZJUVEU-MRVPVSSYSA-N 1 2 193.250 1.701 20 0 ADADLO Cc1noc([C@@H](C)[N@@H+]2CC=CCC2)n1 679324643 486960306 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/nfs/dbraw/zinc/99/43/66/486994366.db2.gz OEAWCWBZTVCIOT-QMMMGPOBSA-N 1 2 195.253 1.998 20 0 ADADLO CCc1cc(C)nc(-n2cc[nH+]c2)n1 680950407 487001298 /nfs/dbraw/zinc/00/12/98/487001298.db2.gz CPWZDGQZEGKYNQ-UHFFFAOYSA-N 1 2 188.234 1.533 20 0 ADADLO CC/C=C/CC[N@H+](C)Cc1nnc[nH]1 681023532 487006624 /nfs/dbraw/zinc/00/66/24/487006624.db2.gz AZLGIATVIASOKR-SNAWJCMRSA-N 1 2 194.282 1.593 20 0 ADADLO CC/C=C/CC[N@@H+](C)Cc1nnc[nH]1 681023532 487006626 /nfs/dbraw/zinc/00/66/26/487006626.db2.gz AZLGIATVIASOKR-SNAWJCMRSA-N 1 2 194.282 1.593 20 0 ADADLO CC/C=C\CC[N@H+](C)Cc1nnc[nH]1 681023531 487006870 /nfs/dbraw/zinc/00/68/70/487006870.db2.gz AZLGIATVIASOKR-PLNGDYQASA-N 1 2 194.282 1.593 20 0 ADADLO CC/C=C\CC[N@@H+](C)Cc1nnc[nH]1 681023531 487006874 /nfs/dbraw/zinc/00/68/74/487006874.db2.gz AZLGIATVIASOKR-PLNGDYQASA-N 1 2 194.282 1.593 20 0 ADADLO CN(C)C(=O)c1ccc2[nH+]ccn2c1 169931466 487008932 /nfs/dbraw/zinc/00/89/32/487008932.db2.gz UMZRGVIVIKGRQL-UHFFFAOYSA-N 1 2 189.218 1.036 20 0 ADADLO CCc1nnc(C[N@H+]2CC=CCC2)[nH]1 681217963 487013837 /nfs/dbraw/zinc/01/38/37/487013837.db2.gz SUQASRZZHVMHIL-UHFFFAOYSA-N 1 2 192.266 1.129 20 0 ADADLO CCc1nnc(C[N@@H+]2CC=CCC2)[nH]1 681217963 487013840 /nfs/dbraw/zinc/01/38/40/487013840.db2.gz SUQASRZZHVMHIL-UHFFFAOYSA-N 1 2 192.266 1.129 20 0 ADADLO CCc1nnc(C[N@H+](C)C2CCC2)[nH]1 681209215 487014105 /nfs/dbraw/zinc/01/41/05/487014105.db2.gz BCUANVVJYXPTQX-UHFFFAOYSA-N 1 2 194.282 1.351 20 0 ADADLO CCc1nnc(C[N@@H+](C)C2CCC2)[nH]1 681209215 487014109 /nfs/dbraw/zinc/01/41/09/487014109.db2.gz BCUANVVJYXPTQX-UHFFFAOYSA-N 1 2 194.282 1.351 20 0 ADADLO C[N@@H+](Cc1c[nH]cn1)C[C@H]1CCCO1 681508850 487025427 /nfs/dbraw/zinc/02/54/27/487025427.db2.gz YMFQMFSVKXUIBW-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCCO1 681508850 487025419 /nfs/dbraw/zinc/02/54/19/487025419.db2.gz YMFQMFSVKXUIBW-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1cnc[nH]1)C[C@H]1CCCO1 681508850 487025423 /nfs/dbraw/zinc/02/54/23/487025423.db2.gz YMFQMFSVKXUIBW-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1c[nH]cn1)C[C@H]1CCCO1 681508850 487025432 /nfs/dbraw/zinc/02/54/32/487025432.db2.gz YMFQMFSVKXUIBW-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCCO1 681508849 487025736 /nfs/dbraw/zinc/02/57/36/487025736.db2.gz YMFQMFSVKXUIBW-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCCO1 681508849 487025739 /nfs/dbraw/zinc/02/57/39/487025739.db2.gz YMFQMFSVKXUIBW-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](Cc1c[nH]cn1)C[C@@H]1CCCO1 681508849 487025742 /nfs/dbraw/zinc/02/57/42/487025742.db2.gz YMFQMFSVKXUIBW-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1c[nH]cn1)C[C@@H]1CCCO1 681508849 487025744 /nfs/dbraw/zinc/02/57/44/487025744.db2.gz YMFQMFSVKXUIBW-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO C[C@H]1C[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 221217954 487032020 /nfs/dbraw/zinc/03/20/20/487032020.db2.gz 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224344099 487039939 /nfs/dbraw/zinc/03/99/39/487039939.db2.gz XDIDOVWCZOTTMT-QMMMGPOBSA-N 1 2 181.239 1.232 20 0 ADADLO CO[C@H](C)CNc1cc[nH+]c(C)n1 224354721 487040097 /nfs/dbraw/zinc/04/00/97/487040097.db2.gz QAZGCZWIIBJKQX-SSDOTTSWSA-N 1 2 181.239 1.232 20 0 ADADLO CCc1cc(NC[C@@H](C)OC)nc[nH+]1 224343966 487040106 /nfs/dbraw/zinc/04/01/06/487040106.db2.gz LORRQXRDUKTDDK-MRVPVSSYSA-N 1 2 195.266 1.486 20 0 ADADLO CO[C@H](C)CNc1cc(CO)cc[nH+]1 224525517 487040474 /nfs/dbraw/zinc/04/04/74/487040474.db2.gz LDFWPFRTHFAMLH-MRVPVSSYSA-N 1 2 196.250 1.021 20 0 ADADLO CO[C@@H](C)CNc1cc(CO)cc[nH+]1 224525470 487041086 /nfs/dbraw/zinc/04/10/86/487041086.db2.gz LDFWPFRTHFAMLH-QMMMGPOBSA-N 1 2 196.250 1.021 20 0 ADADLO C[N@H+](CC[C@@H]1CCOC1)CC(F)F 682152021 487048007 /nfs/dbraw/zinc/04/80/07/487048007.db2.gz NIISBFVRZQGDHH-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO C[N@@H+](CC[C@@H]1CCOC1)CC(F)F 682152021 487048009 /nfs/dbraw/zinc/04/80/09/487048009.db2.gz NIISBFVRZQGDHH-MRVPVSSYSA-N 1 2 193.237 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/nfs/dbraw/zinc/05/99/81/487059981.db2.gz ZQWKAFMKFIVSIR-VIFPVBQESA-N 1 2 196.250 1.495 20 0 ADADLO CC(C)OCC[C@@H](O)Cn1cc[nH+]c1 682615137 487063852 /nfs/dbraw/zinc/06/38/52/487063852.db2.gz INMITGROXQQNHI-SNVBAGLBSA-N 1 2 198.266 1.059 20 0 ADADLO CC(C)OCC[C@H](O)Cn1cc[nH+]c1 682615136 487064038 /nfs/dbraw/zinc/06/40/38/487064038.db2.gz INMITGROXQQNHI-JTQLQIEISA-N 1 2 198.266 1.059 20 0 ADADLO CC(C)N(C)C(=O)CCc1c[nH+]c[nH]1 682693756 487067127 /nfs/dbraw/zinc/06/71/27/487067127.db2.gz GQQYHZJAQSXOLL-UHFFFAOYSA-N 1 2 195.266 1.209 20 0 ADADLO CC(C)N(C)C(=O)CCc1c[nH]c[nH+]1 682693756 487067131 /nfs/dbraw/zinc/06/71/31/487067131.db2.gz GQQYHZJAQSXOLL-UHFFFAOYSA-N 1 2 195.266 1.209 20 0 ADADLO C[C@H]([NH2+][C@H](C)C(F)F)c1cn[nH]c1 229629652 487068855 /nfs/dbraw/zinc/06/88/55/487068855.db2.gz BZRWUSMHSORWNL-NTSWFWBYSA-N 1 2 189.209 1.714 20 0 ADADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cn[nH]c1 229629636 487068920 /nfs/dbraw/zinc/06/89/20/487068920.db2.gz BZRWUSMHSORWNL-WDSKDSINSA-N 1 2 189.209 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/nfs/dbraw/zinc/09/17/70/487091770.db2.gz UACWGZTXXJDPEO-MRVPVSSYSA-N 1 2 193.250 1.010 20 0 ADADLO Cc1cc(N2CCOC[C@H]2C)nc[nH+]1 683461061 487091853 /nfs/dbraw/zinc/09/18/53/487091853.db2.gz OUCIBOWMJPAGDX-SECBINFHSA-N 1 2 193.250 1.010 20 0 ADADLO CCCC[N@H+](C)Cc1ncnn1CC 683779120 487096554 /nfs/dbraw/zinc/09/65/54/487096554.db2.gz WPNIWBPTFJXZNS-UHFFFAOYSA-N 1 2 196.298 1.530 20 0 ADADLO CCCC[N@@H+](C)Cc1ncnn1CC 683779120 487096557 /nfs/dbraw/zinc/09/65/57/487096557.db2.gz WPNIWBPTFJXZNS-UHFFFAOYSA-N 1 2 196.298 1.530 20 0 ADADLO CCn1ncnc1C[N@H+](CC)C1CC1 683779660 487096721 /nfs/dbraw/zinc/09/67/21/487096721.db2.gz LJHSHBUKEXQSEA-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO CCn1ncnc1C[N@@H+](CC)C1CC1 683779660 487096727 /nfs/dbraw/zinc/09/67/27/487096727.db2.gz LJHSHBUKEXQSEA-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO CCn1ncnc1C[N@H+](C)C1CCC1 683783622 487098061 /nfs/dbraw/zinc/09/80/61/487098061.db2.gz ZYJNJERPGLECIH-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO CCn1ncnc1C[N@@H+](C)C1CCC1 683783622 487098064 /nfs/dbraw/zinc/09/80/64/487098064.db2.gz ZYJNJERPGLECIH-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO CCn1ncnc1C[N@H+]1CC=CCC1 683787104 487098214 /nfs/dbraw/zinc/09/82/14/487098214.db2.gz ZCJVYWMSQXOCQV-UHFFFAOYSA-N 1 2 192.266 1.060 20 0 ADADLO CCn1ncnc1C[N@@H+]1CC=CCC1 683787104 487098218 /nfs/dbraw/zinc/09/82/18/487098218.db2.gz ZCJVYWMSQXOCQV-UHFFFAOYSA-N 1 2 192.266 1.060 20 0 ADADLO CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C 683917560 487104530 /nfs/dbraw/zinc/10/45/30/487104530.db2.gz FFTSNOHRWAVKIA-SSDOTTSWSA-N 1 2 195.266 1.175 20 0 ADADLO CC[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C 683917560 487104534 /nfs/dbraw/zinc/10/45/34/487104534.db2.gz FFTSNOHRWAVKIA-SSDOTTSWSA-N 1 2 195.266 1.175 20 0 ADADLO Cc1[nH+]c[nH]c1CC(=O)NCC(C)C 683917942 487104573 /nfs/dbraw/zinc/10/45/73/487104573.db2.gz SBIQAXOXQLFVON-UHFFFAOYSA-N 1 2 195.266 1.033 20 0 ADADLO Cc1[nH]c[nH+]c1CC(=O)NCC(C)C 683917942 487104576 /nfs/dbraw/zinc/10/45/76/487104576.db2.gz SBIQAXOXQLFVON-UHFFFAOYSA-N 1 2 195.266 1.033 20 0 ADADLO CCCCNC(=O)Cc1[nH]c[nH+]c1C 683917535 487104603 /nfs/dbraw/zinc/10/46/03/487104603.db2.gz CCWRQOIRZAXPDK-UHFFFAOYSA-N 1 2 195.266 1.177 20 0 ADADLO CCCCNC(=O)Cc1[nH+]c[nH]c1C 683917535 487104609 /nfs/dbraw/zinc/10/46/09/487104609.db2.gz CCWRQOIRZAXPDK-UHFFFAOYSA-N 1 2 195.266 1.177 20 0 ADADLO CCN(CC)C(=O)Cc1[nH]c[nH+]c1C 683917578 487104767 /nfs/dbraw/zinc/10/47/67/487104767.db2.gz GTLXOPDTXATLIM-UHFFFAOYSA-N 1 2 195.266 1.129 20 0 ADADLO CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C 683917561 487105094 /nfs/dbraw/zinc/10/50/94/487105094.db2.gz FFTSNOHRWAVKIA-ZETCQYMHSA-N 1 2 195.266 1.175 20 0 ADADLO CC[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C 683917561 487105096 /nfs/dbraw/zinc/10/50/96/487105096.db2.gz FFTSNOHRWAVKIA-ZETCQYMHSA-N 1 2 195.266 1.175 20 0 ADADLO CCC[N@H+](C)Cc1ncnn1C(C)C 683993790 487105645 /nfs/dbraw/zinc/10/56/45/487105645.db2.gz PSZPIXJIQCKSSB-UHFFFAOYSA-N 1 2 196.298 1.701 20 0 ADADLO CCC[N@@H+](C)Cc1ncnn1C(C)C 683993790 487105651 /nfs/dbraw/zinc/10/56/51/487105651.db2.gz PSZPIXJIQCKSSB-UHFFFAOYSA-N 1 2 196.298 1.701 20 0 ADADLO CC(C)n1ncnc1C[N@H+](C)C1CC1 683992932 487106064 /nfs/dbraw/zinc/10/60/64/487106064.db2.gz RIASLTTZXLBEAU-UHFFFAOYSA-N 1 2 194.282 1.453 20 0 ADADLO CC(C)n1ncnc1C[N@@H+](C)C1CC1 683992932 487106067 /nfs/dbraw/zinc/10/60/67/487106067.db2.gz RIASLTTZXLBEAU-UHFFFAOYSA-N 1 2 194.282 1.453 20 0 ADADLO CCCn1ncnc1C[N@H+](C)CCC 684090974 487107498 /nfs/dbraw/zinc/10/74/98/487107498.db2.gz ITDXYNSWZPXVMI-UHFFFAOYSA-N 1 2 196.298 1.530 20 0 ADADLO CCCn1ncnc1C[N@@H+](C)CCC 684090974 487107503 /nfs/dbraw/zinc/10/75/03/487107503.db2.gz ITDXYNSWZPXVMI-UHFFFAOYSA-N 1 2 196.298 1.530 20 0 ADADLO CCCn1ncnc1C[N@H+](C)C1CC1 684092285 487107823 /nfs/dbraw/zinc/10/78/23/487107823.db2.gz XGQVYFVQGFEYLL-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO CCCn1ncnc1C[N@@H+](C)C1CC1 684092285 487107828 /nfs/dbraw/zinc/10/78/28/487107828.db2.gz XGQVYFVQGFEYLL-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO CC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 684169435 487110661 /nfs/dbraw/zinc/11/06/61/487110661.db2.gz UDPBQQBOACJEPX-MRVPVSSYSA-N 1 2 195.266 1.257 20 0 ADADLO CC(C)N(C)C(=O)CCc1[nH]cc[nH+]1 684169844 487110676 /nfs/dbraw/zinc/11/06/76/487110676.db2.gz SIRKAESXDLAQLN-UHFFFAOYSA-N 1 2 195.266 1.209 20 0 ADADLO CCCCNC(=O)CCc1[nH]cc[nH+]1 684169651 487110732 /nfs/dbraw/zinc/11/07/32/487110732.db2.gz NGZRKGSQRQWUCF-UHFFFAOYSA-N 1 2 195.266 1.259 20 0 ADADLO CC(C)CNC(=O)CCc1[nH]cc[nH+]1 684169697 487110978 /nfs/dbraw/zinc/11/09/78/487110978.db2.gz PTZGNYHISRCRLI-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO CC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 684190364 487111033 /nfs/dbraw/zinc/11/10/33/487111033.db2.gz ICEDNKOIXFILQD-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CCN(CC)C(=O)CCc1[nH]cc[nH+]1 684169188 487111062 /nfs/dbraw/zinc/11/10/62/487111062.db2.gz NIARZNFJPCFMQY-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO CC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 684169443 487111169 /nfs/dbraw/zinc/11/11/69/487111169.db2.gz UDPBQQBOACJEPX-QMMMGPOBSA-N 1 2 195.266 1.257 20 0 ADADLO CCCN(C)C(=O)CCc1c[nH+]c[nH]1 684418461 487120483 /nfs/dbraw/zinc/12/04/83/487120483.db2.gz DUHQLRULOJJNGI-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO CCCN(C)C(=O)CCc1c[nH]c[nH+]1 684418461 487120487 /nfs/dbraw/zinc/12/04/87/487120487.db2.gz DUHQLRULOJJNGI-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO O=C(CCc1c[nH+]c[nH]1)NC1CCC1 684436267 487121938 /nfs/dbraw/zinc/12/19/38/487121938.db2.gz ROOSHBQSLXQWNB-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO O=C(CCc1c[nH]c[nH+]1)NC1CCC1 684436267 487121942 /nfs/dbraw/zinc/12/19/42/487121942.db2.gz ROOSHBQSLXQWNB-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO CC(C)OCC[N@H+](C)Cc1cnc[nH]1 684618934 487126010 /nfs/dbraw/zinc/12/60/10/487126010.db2.gz ZBTVZUVZAMUMSV-UHFFFAOYSA-N 1 2 197.282 1.267 20 0 ADADLO CC(C)OCC[N@@H+](C)Cc1cnc[nH]1 684618934 487126016 /nfs/dbraw/zinc/12/60/16/487126016.db2.gz ZBTVZUVZAMUMSV-UHFFFAOYSA-N 1 2 197.282 1.267 20 0 ADADLO CC(C)OCC[N@H+](C)Cc1c[nH]cn1 684618934 487126018 /nfs/dbraw/zinc/12/60/18/487126018.db2.gz ZBTVZUVZAMUMSV-UHFFFAOYSA-N 1 2 197.282 1.267 20 0 ADADLO CC(C)OCC[N@@H+](C)Cc1c[nH]cn1 684618934 487126023 /nfs/dbraw/zinc/12/60/23/487126023.db2.gz ZBTVZUVZAMUMSV-UHFFFAOYSA-N 1 2 197.282 1.267 20 0 ADADLO CN(Cc1ccon1)Cc1c[nH+]c[nH]1 684617385 487126329 /nfs/dbraw/zinc/12/63/29/487126329.db2.gz LTTSBPJDNPMGCD-UHFFFAOYSA-N 1 2 192.222 1.030 20 0 ADADLO CN(Cc1ccon1)Cc1c[nH]c[nH+]1 684617385 487126332 /nfs/dbraw/zinc/12/63/32/487126332.db2.gz LTTSBPJDNPMGCD-UHFFFAOYSA-N 1 2 192.222 1.030 20 0 ADADLO OCCCC[N@@H+]1CCCC(F)(F)C1 259520309 487138155 /nfs/dbraw/zinc/13/81/55/487138155.db2.gz PQKVRPOJXWWUBR-UHFFFAOYSA-N 1 2 193.237 1.490 20 0 ADADLO OCCCC[N@H+]1CCCC(F)(F)C1 259520309 487138160 /nfs/dbraw/zinc/13/81/60/487138160.db2.gz PQKVRPOJXWWUBR-UHFFFAOYSA-N 1 2 193.237 1.490 20 0 ADADLO COCCC[N@@H+]1CCCC(F)(F)C1 259275495 487138646 /nfs/dbraw/zinc/13/86/46/487138646.db2.gz KCPRWODPZHDQQX-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO COCCC[N@H+]1CCCC(F)(F)C1 259275495 487138652 /nfs/dbraw/zinc/13/86/52/487138652.db2.gz KCPRWODPZHDQQX-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO C[C@H](O)C[N@H+](CC(F)F)CC1CC1 685002938 487139701 /nfs/dbraw/zinc/13/97/01/487139701.db2.gz DHQHYUQDTVDKLK-ZETCQYMHSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@H](O)C[N@@H+](CC(F)F)CC1CC1 685002938 487139704 /nfs/dbraw/zinc/13/97/04/487139704.db2.gz DHQHYUQDTVDKLK-ZETCQYMHSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H](O)C[N@H+](CC(F)F)CC1CC1 685002937 487139849 /nfs/dbraw/zinc/13/98/49/487139849.db2.gz DHQHYUQDTVDKLK-SSDOTTSWSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1CC1 685002937 487139850 /nfs/dbraw/zinc/13/98/50/487139850.db2.gz DHQHYUQDTVDKLK-SSDOTTSWSA-N 1 2 193.237 1.344 20 0 ADADLO CO[C@H](C)C[N@H+](C)Cc1cn[nH]c1C 685447695 487144492 /nfs/dbraw/zinc/14/44/92/487144492.db2.gz VNANYGSGYQZATF-MRVPVSSYSA-N 1 2 197.282 1.185 20 0 ADADLO CO[C@H](C)C[N@@H+](C)Cc1cn[nH]c1C 685447695 487144494 /nfs/dbraw/zinc/14/44/94/487144494.db2.gz VNANYGSGYQZATF-MRVPVSSYSA-N 1 2 197.282 1.185 20 0 ADADLO CC(C)n1cc(C[N@H+](C)C2CC2)nn1 685410559 487143645 /nfs/dbraw/zinc/14/36/45/487143645.db2.gz WYJKQCUPZPMXLV-UHFFFAOYSA-N 1 2 194.282 1.453 20 0 ADADLO CC(C)n1cc(C[N@@H+](C)C2CC2)nn1 685410559 487143649 /nfs/dbraw/zinc/14/36/49/487143649.db2.gz WYJKQCUPZPMXLV-UHFFFAOYSA-N 1 2 194.282 1.453 20 0 ADADLO C[N@@H+](Cc1ncc[nH]1)[C@@H]1CCCOC1 685438636 487144661 /nfs/dbraw/zinc/14/46/61/487144661.db2.gz MMJXONBOOTVGJS-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1ncc[nH]1)[C@@H]1CCCOC1 685438636 487144658 /nfs/dbraw/zinc/14/46/58/487144658.db2.gz MMJXONBOOTVGJS-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO CO[C@@H](C)C[N@H+](C)Cc1cn[nH]c1C 685447696 487144745 /nfs/dbraw/zinc/14/47/45/487144745.db2.gz VNANYGSGYQZATF-QMMMGPOBSA-N 1 2 197.282 1.185 20 0 ADADLO CO[C@@H](C)C[N@@H+](C)Cc1cn[nH]c1C 685447696 487144748 /nfs/dbraw/zinc/14/47/48/487144748.db2.gz VNANYGSGYQZATF-QMMMGPOBSA-N 1 2 197.282 1.185 20 0 ADADLO C[N@H+](Cc1ncc[nH]1)[C@H]1CCCOC1 685438637 487144844 /nfs/dbraw/zinc/14/48/44/487144844.db2.gz MMJXONBOOTVGJS-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](Cc1ncc[nH]1)[C@H]1CCCOC1 685438637 487144846 /nfs/dbraw/zinc/14/48/46/487144846.db2.gz MMJXONBOOTVGJS-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO Cc1nc([C@H](C)[N@H+](C)CC2CC2)no1 685561670 487146655 /nfs/dbraw/zinc/14/66/55/487146655.db2.gz ZKEPZMGWRSOXSL-ZETCQYMHSA-N 1 2 195.266 1.781 20 0 ADADLO Cc1nc([C@H](C)[N@@H+](C)CC2CC2)no1 685561670 487146657 /nfs/dbraw/zinc/14/66/57/487146657.db2.gz ZKEPZMGWRSOXSL-ZETCQYMHSA-N 1 2 195.266 1.781 20 0 ADADLO Cc1nc([C@@H](C)[N@H+](C)CC2CC2)no1 685561667 487146892 /nfs/dbraw/zinc/14/68/92/487146892.db2.gz ZKEPZMGWRSOXSL-SSDOTTSWSA-N 1 2 195.266 1.781 20 0 ADADLO Cc1nc([C@@H](C)[N@@H+](C)CC2CC2)no1 685561667 487146895 /nfs/dbraw/zinc/14/68/95/487146895.db2.gz ZKEPZMGWRSOXSL-SSDOTTSWSA-N 1 2 195.266 1.781 20 0 ADADLO Cn1cnnc1C[N@H+](C)CC1(C)CC1 685472755 487146922 /nfs/dbraw/zinc/14/69/22/487146922.db2.gz QZWQUPNLTIBUCX-UHFFFAOYSA-N 1 2 194.282 1.047 20 0 ADADLO Cn1cnnc1C[N@@H+](C)CC1(C)CC1 685472755 487146925 /nfs/dbraw/zinc/14/69/25/487146925.db2.gz QZWQUPNLTIBUCX-UHFFFAOYSA-N 1 2 194.282 1.047 20 0 ADADLO Cc1nc([C@H](C)[N@H+]2CC=CCC2)no1 685571762 487147726 /nfs/dbraw/zinc/14/77/26/487147726.db2.gz QWLFIXIYOXUSBF-QMMMGPOBSA-N 1 2 193.250 1.701 20 0 ADADLO Cc1nc([C@H](C)[N@@H+]2CC=CCC2)no1 685571762 487147729 /nfs/dbraw/zinc/14/77/29/487147729.db2.gz QWLFIXIYOXUSBF-QMMMGPOBSA-N 1 2 193.250 1.701 20 0 ADADLO Cc1nc([C@@H](C)[N@H+]2CC=CCC2)no1 685571761 487148045 /nfs/dbraw/zinc/14/80/45/487148045.db2.gz QWLFIXIYOXUSBF-MRVPVSSYSA-N 1 2 193.250 1.701 20 0 ADADLO Cc1nc([C@@H](C)[N@@H+]2CC=CCC2)no1 685571761 487148051 /nfs/dbraw/zinc/14/80/51/487148051.db2.gz QWLFIXIYOXUSBF-MRVPVSSYSA-N 1 2 193.250 1.701 20 0 ADADLO CC[N@H+](CCOC)Cc1[nH]ncc1C 685833593 487149901 /nfs/dbraw/zinc/14/99/01/487149901.db2.gz VPLKTHQPGBZPBW-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO CC[N@@H+](CCOC)Cc1[nH]ncc1C 685833593 487149904 /nfs/dbraw/zinc/14/99/04/487149904.db2.gz VPLKTHQPGBZPBW-UHFFFAOYSA-N 1 2 197.282 1.186 20 0 ADADLO Cc1nc(N[C@@H]2CCC[C@H]2O)cc[nH+]1 306353931 487154238 /nfs/dbraw/zinc/15/42/38/487154238.db2.gz BHVRTYLUNASERR-RKDXNWHRSA-N 1 2 193.250 1.110 20 0 ADADLO C[C@@H]1C[C@H]([N@H+](C)CC(F)F)CCO1 306378764 487155278 /nfs/dbraw/zinc/15/52/78/487155278.db2.gz NNRPMUAQBKHBMP-HTQZYQBOSA-N 1 2 193.237 1.751 20 0 ADADLO C[C@@H]1C[C@H]([N@@H+](C)CC(F)F)CCO1 306378764 487155281 /nfs/dbraw/zinc/15/52/81/487155281.db2.gz NNRPMUAQBKHBMP-HTQZYQBOSA-N 1 2 193.237 1.751 20 0 ADADLO CC1(COc2cc[nH+]cc2)COC1 306503144 487159238 /nfs/dbraw/zinc/15/92/38/487159238.db2.gz HRAXUDDVUNCBCZ-UHFFFAOYSA-N 1 2 179.219 1.497 20 0 ADADLO C[C@@H]1C[N@H+](CC(F)F)[C@@H]1C 306525497 487159878 /nfs/dbraw/zinc/15/98/78/487159878.db2.gz QENSUFBDDLCTPE-PHDIDXHHSA-N 1 2 149.184 1.592 20 0 ADADLO C[C@@H]1C[N@@H+](CC(F)F)[C@@H]1C 306525497 487159880 /nfs/dbraw/zinc/15/98/80/487159880.db2.gz QENSUFBDDLCTPE-PHDIDXHHSA-N 1 2 149.184 1.592 20 0 ADADLO C[C@H]1C[N@H+](CC(F)F)[C@H]1C 306525499 487159890 /nfs/dbraw/zinc/15/98/90/487159890.db2.gz QENSUFBDDLCTPE-WDSKDSINSA-N 1 2 149.184 1.592 20 0 ADADLO C[C@H]1C[N@@H+](CC(F)F)[C@H]1C 306525499 487159891 /nfs/dbraw/zinc/15/98/91/487159891.db2.gz QENSUFBDDLCTPE-WDSKDSINSA-N 1 2 149.184 1.592 20 0 ADADLO C[C@H]1C[N@H+](CC(F)F)[C@@H]1C 306525496 487159907 /nfs/dbraw/zinc/15/99/07/487159907.db2.gz QENSUFBDDLCTPE-NTSWFWBYSA-N 1 2 149.184 1.592 20 0 ADADLO C[C@H]1C[N@@H+](CC(F)F)[C@@H]1C 306525496 487159908 /nfs/dbraw/zinc/15/99/08/487159908.db2.gz QENSUFBDDLCTPE-NTSWFWBYSA-N 1 2 149.184 1.592 20 0 ADADLO C[C@H]1[C@H](C)C[N@@H+]1CC(F)F 306525498 487159922 /nfs/dbraw/zinc/15/99/22/487159922.db2.gz QENSUFBDDLCTPE-RITPCOANSA-N 1 2 149.184 1.592 20 0 ADADLO C[C@H]1[C@H](C)C[N@H+]1CC(F)F 306525498 487159923 /nfs/dbraw/zinc/15/99/23/487159923.db2.gz QENSUFBDDLCTPE-RITPCOANSA-N 1 2 149.184 1.592 20 0 ADADLO Cc1cc(C)[nH+]c(N2CCCCN2)n1 306661066 487163711 /nfs/dbraw/zinc/16/37/11/487163711.db2.gz RFUIGKCDFIYXEN-UHFFFAOYSA-N 1 2 192.266 1.198 20 0 ADADLO CCc1csc(N2CCCC[NH2+]2)n1 306656584 487163788 /nfs/dbraw/zinc/16/37/88/487163788.db2.gz LZDBNJLSIGMIGK-UHFFFAOYSA-N 1 2 197.307 1.810 20 0 ADADLO C[C@@H]1C[C@H]([NH2+]CC(F)F)[C@@H](C)O1 306947867 487170070 /nfs/dbraw/zinc/17/00/70/487170070.db2.gz QZWLXCGMPWCJPQ-QYNIQEEDSA-N 1 2 179.210 1.407 20 0 ADADLO C[C@@H]1C[C@@H]([NH2+]CC(F)F)[C@@H](C)O1 306947866 487170090 /nfs/dbraw/zinc/17/00/90/487170090.db2.gz QZWLXCGMPWCJPQ-FSDSQADBSA-N 1 2 179.210 1.407 20 0 ADADLO C[C@@H]1O[C@H](C)C[C@H]1[NH2+]CC(F)F 306947865 487170138 /nfs/dbraw/zinc/17/01/38/487170138.db2.gz QZWLXCGMPWCJPQ-DSYKOEDSSA-N 1 2 179.210 1.407 20 0 ADADLO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]CC(F)F 306947868 487170192 /nfs/dbraw/zinc/17/01/92/487170192.db2.gz QZWLXCGMPWCJPQ-VQVTYTSYSA-N 1 2 179.210 1.407 20 0 ADADLO c1[nH]nnc1C[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306940746 487170251 /nfs/dbraw/zinc/17/02/51/487170251.db2.gz QCONIZMYDJYKTF-JEZHCXPESA-N 1 2 192.266 1.083 20 0 ADADLO c1n[nH]nc1C[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306940746 487170254 /nfs/dbraw/zinc/17/02/54/487170254.db2.gz QCONIZMYDJYKTF-JEZHCXPESA-N 1 2 192.266 1.083 20 0 ADADLO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(F)F 307176378 487175291 /nfs/dbraw/zinc/17/52/91/487175291.db2.gz HBHRMAHDLPGTMZ-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(F)F 307176378 487175296 /nfs/dbraw/zinc/17/52/96/487175296.db2.gz HBHRMAHDLPGTMZ-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO COc1cc(Cn2cc[nH+]c2)sn1 307541949 487183258 /nfs/dbraw/zinc/18/32/58/487183258.db2.gz OQRKKOJFECNVCB-UHFFFAOYSA-N 1 2 195.247 1.397 20 0 ADADLO Cc1cc([C@@H](C)[NH2+]CCF)no1 307942101 487191600 /nfs/dbraw/zinc/19/16/00/487191600.db2.gz DANNGMZZGAYPSR-SSDOTTSWSA-N 1 2 172.203 1.603 20 0 ADADLO Cc1cc([C@H](C)[NH2+]CCF)no1 307942102 487191632 /nfs/dbraw/zinc/19/16/32/487191632.db2.gz DANNGMZZGAYPSR-ZETCQYMHSA-N 1 2 172.203 1.603 20 0 ADADLO CCC[N@@H+](CC(F)F)C[C@H](C)O 307938903 487191921 /nfs/dbraw/zinc/19/19/21/487191921.db2.gz AMQJLEIHLNHRKT-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO CCC[N@H+](CC(F)F)C[C@H](C)O 307938903 487191924 /nfs/dbraw/zinc/19/19/24/487191924.db2.gz AMQJLEIHLNHRKT-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO CCC[N@@H+](CC(F)F)C[C@@H](C)O 307938902 487191964 /nfs/dbraw/zinc/19/19/64/487191964.db2.gz AMQJLEIHLNHRKT-SSDOTTSWSA-N 1 2 181.226 1.344 20 0 ADADLO CCC[N@H+](CC(F)F)C[C@@H](C)O 307938902 487191966 /nfs/dbraw/zinc/19/19/66/487191966.db2.gz AMQJLEIHLNHRKT-SSDOTTSWSA-N 1 2 181.226 1.344 20 0 ADADLO CC[C@H](C)CNCC(F)(F)C[NH3+] 308123765 487194266 /nfs/dbraw/zinc/19/42/66/487194266.db2.gz SUZRLVXCAHOYOJ-ZETCQYMHSA-N 1 2 180.242 1.216 20 0 ADADLO CC[C@@H](C)CNCC(F)(F)C[NH3+] 308123764 487193904 /nfs/dbraw/zinc/19/39/04/487193904.db2.gz SUZRLVXCAHOYOJ-SSDOTTSWSA-N 1 2 180.242 1.216 20 0 ADADLO CCC(CC)CNCC(F)(F)C[NH3+] 308352062 487199581 /nfs/dbraw/zinc/19/95/81/487199581.db2.gz YVPJXXHRQYEZQB-UHFFFAOYSA-N 1 2 194.269 1.606 20 0 ADADLO Cc1occc1C[NH2+]Cc1ccno1 321745954 487215682 /nfs/dbraw/zinc/21/56/82/487215682.db2.gz ZZSGGGIBIWZEAY-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO CC[C@@](C)(C[NH2+]Cc1ccn[nH]1)OC 323078919 487223569 /nfs/dbraw/zinc/22/35/69/487223569.db2.gz YIEXPVKPZFPIKN-JTQLQIEISA-N 1 2 197.282 1.314 20 0 ADADLO CC[C@](C)(C[NH2+]Cc1ccn[nH]1)OC 323078922 487223730 /nfs/dbraw/zinc/22/37/30/487223730.db2.gz YIEXPVKPZFPIKN-SNVBAGLBSA-N 1 2 197.282 1.314 20 0 ADADLO CO[C@H](CNc1cccc[nH+]1)C1CC1 378664342 487233715 /nfs/dbraw/zinc/23/37/15/487233715.db2.gz DZVUUMSKSYQCQW-SNVBAGLBSA-N 1 2 192.262 1.919 20 0 ADADLO CO[C@@H](CNc1cccc[nH+]1)C1CC1 378664341 487233724 /nfs/dbraw/zinc/23/37/24/487233724.db2.gz DZVUUMSKSYQCQW-JTQLQIEISA-N 1 2 192.262 1.919 20 0 ADADLO Cc1noc(C[C@H](C)n2cc[nH+]c2)n1 351408731 487233810 /nfs/dbraw/zinc/23/38/10/487233810.db2.gz QIEMVIFBZBIKAB-ZETCQYMHSA-N 1 2 192.222 1.378 20 0 ADADLO Cc1noc(C[C@@H](C)n2cc[nH+]c2)n1 351408730 487233827 /nfs/dbraw/zinc/23/38/27/487233827.db2.gz QIEMVIFBZBIKAB-SSDOTTSWSA-N 1 2 192.222 1.378 20 0 ADADLO CCOCC(C)(C)[NH2+]Cc1ccn[nH]1 378674862 487234612 /nfs/dbraw/zinc/23/46/12/487234612.db2.gz NYZYPRGGTACZLB-UHFFFAOYSA-N 1 2 197.282 1.314 20 0 ADADLO C[C@@H](O)C[N@H+](CC(F)F)C1CC1 379322802 487237515 /nfs/dbraw/zinc/23/75/15/487237515.db2.gz LJSMTODOEGADBH-ZCFIWIBFSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H](O)C[N@@H+](CC(F)F)C1CC1 379322802 487237517 /nfs/dbraw/zinc/23/75/17/487237517.db2.gz LJSMTODOEGADBH-ZCFIWIBFSA-N 1 2 179.210 1.097 20 0 ADADLO CC(C)[N@H+](CC[C@H](C)O)CC(F)F 379262386 487237824 /nfs/dbraw/zinc/23/78/24/487237824.db2.gz NVYFHTMILKPYRH-QMMMGPOBSA-N 1 2 195.253 1.733 20 0 ADADLO CC(C)[N@@H+](CC[C@H](C)O)CC(F)F 379262386 487237828 /nfs/dbraw/zinc/23/78/28/487237828.db2.gz NVYFHTMILKPYRH-QMMMGPOBSA-N 1 2 195.253 1.733 20 0 ADADLO CC(C)[N@H+](CC[C@@H](C)O)CC(F)F 379262385 487237838 /nfs/dbraw/zinc/23/78/38/487237838.db2.gz NVYFHTMILKPYRH-MRVPVSSYSA-N 1 2 195.253 1.733 20 0 ADADLO CC(C)[N@@H+](CC[C@@H](C)O)CC(F)F 379262385 487237840 /nfs/dbraw/zinc/23/78/40/487237840.db2.gz NVYFHTMILKPYRH-MRVPVSSYSA-N 1 2 195.253 1.733 20 0 ADADLO C[C@H](O)C[N@H+](CC(F)F)C1CC1 379322801 487237913 /nfs/dbraw/zinc/23/79/13/487237913.db2.gz LJSMTODOEGADBH-LURJTMIESA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H](O)C[N@@H+](CC(F)F)C1CC1 379322801 487237918 /nfs/dbraw/zinc/23/79/18/487237918.db2.gz LJSMTODOEGADBH-LURJTMIESA-N 1 2 179.210 1.097 20 0 ADADLO Cc1cc([C@H](C)[NH2+]CCF)nn1C 379385553 487241178 /nfs/dbraw/zinc/24/11/78/487241178.db2.gz UGCAKWWKFLFCDV-QMMMGPOBSA-N 1 2 185.246 1.349 20 0 ADADLO Cc1cc([C@@H](C)[NH2+]CCF)nn1C 379385552 487241271 /nfs/dbraw/zinc/24/12/71/487241271.db2.gz UGCAKWWKFLFCDV-MRVPVSSYSA-N 1 2 185.246 1.349 20 0 ADADLO CO[C@H](C)C[NH2+][C@H](C)c1cn[nH]c1C 379594358 487246124 /nfs/dbraw/zinc/24/61/24/487246124.db2.gz COYDTDIYSJDVTD-HTQZYQBOSA-N 1 2 197.282 1.404 20 0 ADADLO CO[C@@H](C)C[NH2+][C@@H](C)c1cn[nH]c1C 379594362 487246447 /nfs/dbraw/zinc/24/64/47/487246447.db2.gz COYDTDIYSJDVTD-YUMQZZPRSA-N 1 2 197.282 1.404 20 0 ADADLO CO[C@H](C)C[NH2+][C@@H](C)c1cn[nH]c1C 379594360 487246455 /nfs/dbraw/zinc/24/64/55/487246455.db2.gz COYDTDIYSJDVTD-SFYZADRCSA-N 1 2 197.282 1.404 20 0 ADADLO CO[C@@H](C)C[NH2+][C@H](C)c1cn[nH]c1C 379594359 487246574 /nfs/dbraw/zinc/24/65/74/487246574.db2.gz COYDTDIYSJDVTD-JGVFFNPUSA-N 1 2 197.282 1.404 20 0 ADADLO C[NH2+]Cc1noc(CCC2CCC2)n1 380000852 487247844 /nfs/dbraw/zinc/24/78/44/487247844.db2.gz MQHUBINCXFJGML-UHFFFAOYSA-N 1 2 195.266 1.522 20 0 ADADLO C[C@H]([N@H+](C)CC(F)F)C(C)(C)O 382873530 487251296 /nfs/dbraw/zinc/25/12/96/487251296.db2.gz PWAPDCSVZFNZNB-LURJTMIESA-N 1 2 181.226 1.343 20 0 ADADLO C[C@H]([N@@H+](C)CC(F)F)C(C)(C)O 382873530 487251298 /nfs/dbraw/zinc/25/12/98/487251298.db2.gz PWAPDCSVZFNZNB-LURJTMIESA-N 1 2 181.226 1.343 20 0 ADADLO C[C@@H]([N@H+](C)CC(F)F)C(C)(C)O 382873538 487251484 /nfs/dbraw/zinc/25/14/84/487251484.db2.gz PWAPDCSVZFNZNB-ZCFIWIBFSA-N 1 2 181.226 1.343 20 0 ADADLO C[C@@H]([N@@H+](C)CC(F)F)C(C)(C)O 382873538 487251490 /nfs/dbraw/zinc/25/14/90/487251490.db2.gz PWAPDCSVZFNZNB-ZCFIWIBFSA-N 1 2 181.226 1.343 20 0 ADADLO CCn1cc[nH+]c1CNC(=O)C(C)C 385397416 487255504 /nfs/dbraw/zinc/25/55/04/487255504.db2.gz VYIUQQZOWWXTRD-UHFFFAOYSA-N 1 2 195.266 1.175 20 0 ADADLO CCCC(=O)NCc1[nH+]ccn1CC 385293718 487255569 /nfs/dbraw/zinc/25/55/69/487255569.db2.gz CVBHBBBJBBGNPK-UHFFFAOYSA-N 1 2 195.266 1.319 20 0 ADADLO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccn[nH]1 385844764 487255731 /nfs/dbraw/zinc/25/57/31/487255731.db2.gz OMBNUXJIFYWPJX-MWLCHTKSSA-N 1 2 193.294 1.934 20 0 ADADLO CC[C@@H]1C[C@H]1c1nc(C[NH2+]C)no1 387758205 487257884 /nfs/dbraw/zinc/25/78/84/487257884.db2.gz RGYUSLKNLPIQFN-RNFRBKRXSA-N 1 2 181.239 1.303 20 0 ADADLO C[NH2+]Cc1noc(C[C@@H]2C=CCC2)n1 393619256 487267397 /nfs/dbraw/zinc/26/73/97/487267397.db2.gz KTYLCHNHZVCFEO-MRVPVSSYSA-N 1 2 193.250 1.298 20 0 ADADLO C[NH2+]Cc1noc(C[C@H]2C=CCC2)n1 393619257 487267509 /nfs/dbraw/zinc/26/75/09/487267509.db2.gz KTYLCHNHZVCFEO-QMMMGPOBSA-N 1 2 193.250 1.298 20 0 ADADLO CC(C)OC[C@@H](C)[NH2+]Cc1ccn[nH]1 393660675 487267960 /nfs/dbraw/zinc/26/79/60/487267960.db2.gz STNKRICHOPEQNM-SECBINFHSA-N 1 2 197.282 1.313 20 0 ADADLO CC(C)OC[C@H](C)[NH2+]Cc1ccn[nH]1 393660678 487268445 /nfs/dbraw/zinc/26/84/45/487268445.db2.gz STNKRICHOPEQNM-VIFPVBQESA-N 1 2 197.282 1.313 20 0 ADADLO C[N@H+](CCC1(O)CCC1)CC(F)F 396792993 487274983 /nfs/dbraw/zinc/27/49/83/487274983.db2.gz UNNMAEHKMQBXCW-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO C[N@@H+](CCC1(O)CCC1)CC(F)F 396792993 487274987 /nfs/dbraw/zinc/27/49/87/487274987.db2.gz UNNMAEHKMQBXCW-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO CCSc1c[nH+]c(N)c(C)c1 584883582 487296811 /nfs/dbraw/zinc/29/68/11/487296811.db2.gz VOIPWFXVGHHTQF-UHFFFAOYSA-N 1 2 168.265 2.084 20 0 ADADLO C1=CCC(Cn2cc[nH+]c2)C1 606243325 487302325 /nfs/dbraw/zinc/30/23/25/487302325.db2.gz AMPSOKCTXVTLAW-UHFFFAOYSA-N 1 2 148.209 1.849 20 0 ADADLO OCc1cc[nH+]c(NC2CCC2)c1 606254164 487302880 /nfs/dbraw/zinc/30/28/80/487302880.db2.gz DODBEGSETWAWDR-UHFFFAOYSA-N 1 2 178.235 1.538 20 0 ADADLO OC[C@H]1C[C@@H](Nc2cccc[nH+]2)C1 606254213 487302896 /nfs/dbraw/zinc/30/28/96/487302896.db2.gz IFBSHFVUMUQVIG-DTORHVGOSA-N 1 2 178.235 1.264 20 0 ADADLO c1nc(C2CC2)cc(-n2cc[nH+]c2)n1 606259452 487303591 /nfs/dbraw/zinc/30/35/91/487303591.db2.gz OORIODJUTABFRI-UHFFFAOYSA-N 1 2 186.218 1.540 20 0 ADADLO Cc1c[nH]c(CNc2cnn(C)c2)[nH+]1 606263807 487304501 /nfs/dbraw/zinc/30/45/01/487304501.db2.gz YFIYPKSPYULRHK-UHFFFAOYSA-N 1 2 191.238 1.064 20 0 ADADLO Cc1nn(-c2[nH+]ccn2C)c(C)c1C 606263192 487304517 /nfs/dbraw/zinc/30/45/17/487304517.db2.gz MSHCPLXIJOCOSX-UHFFFAOYSA-N 1 2 190.250 1.531 20 0 ADADLO O[C@H]1CCCN(c2cc[nH+]cc2F)C1 606270505 487304874 /nfs/dbraw/zinc/30/48/74/487304874.db2.gz OHUAXSGIVBQIBL-QMMMGPOBSA-N 1 2 196.225 1.182 20 0 ADADLO OCc1cc[nH+]c(N2CC[C@H](F)C2)c1 606270497 487304884 /nfs/dbraw/zinc/30/48/84/487304884.db2.gz NMIQNZSDFZZORH-VIFPVBQESA-N 1 2 196.225 1.122 20 0 ADADLO OCc1cc[nH+]c(N2CC[C@@H](F)C2)c1 606270490 487304977 /nfs/dbraw/zinc/30/49/77/487304977.db2.gz NMIQNZSDFZZORH-SECBINFHSA-N 1 2 196.225 1.122 20 0 ADADLO O[C@@H]1CCCN(c2cc[nH+]cc2F)C1 606270504 487304984 /nfs/dbraw/zinc/30/49/84/487304984.db2.gz OHUAXSGIVBQIBL-MRVPVSSYSA-N 1 2 196.225 1.182 20 0 ADADLO FCC[NH2+][C@@H]1CCCn2ccnc21 655764549 487312290 /nfs/dbraw/zinc/31/22/90/487312290.db2.gz KRBFWSPBMDGFOS-MRVPVSSYSA-N 1 2 183.230 1.277 20 0 ADADLO FCC[NH2+][C@H]1CCCn2ccnc21 655764550 487312484 /nfs/dbraw/zinc/31/24/84/487312484.db2.gz KRBFWSPBMDGFOS-QMMMGPOBSA-N 1 2 183.230 1.277 20 0 ADADLO CCOC1C[NH+](Cc2ccoc2C)C1 666391289 487328065 /nfs/dbraw/zinc/32/80/65/487328065.db2.gz XAQGSSLKPASPSB-UHFFFAOYSA-N 1 2 195.262 1.809 20 0 ADADLO CCC(=Cc1nc(C[NH2+]C)no1)CC 666420264 487329547 /nfs/dbraw/zinc/32/95/47/487329547.db2.gz IJVILDNMSRKYAL-UHFFFAOYSA-N 1 2 195.266 1.992 20 0 ADADLO C[NH2+]Cc1noc(C(C)(C)C(C)C)n1 666572940 487330587 /nfs/dbraw/zinc/33/05/87/487330587.db2.gz YDRLVXHXEKNKSS-UHFFFAOYSA-N 1 2 197.282 1.723 20 0 ADADLO CCC[C@@H](CC)NCC(F)(F)C[NH3+] 666866207 487343027 /nfs/dbraw/zinc/34/30/27/487343027.db2.gz VSWVYEWWATWOFO-MRVPVSSYSA-N 1 2 194.269 1.749 20 0 ADADLO CCC[C@H](CC)NCC(F)(F)C[NH3+] 666866208 487343268 /nfs/dbraw/zinc/34/32/68/487343268.db2.gz VSWVYEWWATWOFO-QMMMGPOBSA-N 1 2 194.269 1.749 20 0 ADADLO C[C@H](NCC(F)(F)C[NH3+])C1CCC1 666866746 487343481 /nfs/dbraw/zinc/34/34/81/487343481.db2.gz CBWORLDESCCZEA-ZETCQYMHSA-N 1 2 192.253 1.359 20 0 ADADLO C[C@@H](NCC(F)(F)C[NH3+])C1CCC1 666866745 487343653 /nfs/dbraw/zinc/34/36/53/487343653.db2.gz CBWORLDESCCZEA-SSDOTTSWSA-N 1 2 192.253 1.359 20 0 ADADLO CC(C)n1ccnc1C[NH2+]CCF 668099904 487359827 /nfs/dbraw/zinc/35/98/27/487359827.db2.gz YWDUBBJAURTKAW-UHFFFAOYSA-N 1 2 185.246 1.523 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)CCCF 668419518 487362077 /nfs/dbraw/zinc/36/20/77/487362077.db2.gz FKSCHPQRNBSXBY-UHFFFAOYSA-N 1 2 196.225 1.500 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCCF 668448734 487362651 /nfs/dbraw/zinc/36/26/51/487362651.db2.gz UJWMPCBWVKWBGJ-UHFFFAOYSA-N 1 2 199.229 1.118 20 0 ADADLO Cc1cc(NC(=O)CCCF)cc[nH+]1 668635020 487365265 /nfs/dbraw/zinc/36/52/65/487365265.db2.gz HAPJLTNEXKQBTP-UHFFFAOYSA-N 1 2 196.225 1.500 20 0 ADADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]2C[C@H]2C1 668675458 487365700 /nfs/dbraw/zinc/36/57/00/487365700.db2.gz CGKBGOMPGPVNBW-UWVGGRQHSA-N 1 2 191.278 1.560 20 0 ADADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]2C[C@H]2C1 668675458 487365703 /nfs/dbraw/zinc/36/57/03/487365703.db2.gz CGKBGOMPGPVNBW-UWVGGRQHSA-N 1 2 191.278 1.560 20 0 ADADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 668675457 487366087 /nfs/dbraw/zinc/36/60/87/487366087.db2.gz CGKBGOMPGPVNBW-NXEZZACHSA-N 1 2 191.278 1.560 20 0 ADADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 668675457 487366090 /nfs/dbraw/zinc/36/60/90/487366090.db2.gz CGKBGOMPGPVNBW-NXEZZACHSA-N 1 2 191.278 1.560 20 0 ADADLO Cc1nc(C[N@@H+](C)C[C@@H]2C[C@@H]2C)no1 668795915 487368996 /nfs/dbraw/zinc/36/89/96/487368996.db2.gz KOHREBCKVDNANB-CBAPKCEASA-N 1 2 195.266 1.466 20 0 ADADLO Cc1nc(C[N@H+](C)C[C@@H]2C[C@@H]2C)no1 668795915 487368999 /nfs/dbraw/zinc/36/89/99/487368999.db2.gz KOHREBCKVDNANB-CBAPKCEASA-N 1 2 195.266 1.466 20 0 ADADLO Cc1nc(C[N@@H+](C)C[C@H]2C[C@@H]2C)no1 668795917 487369233 /nfs/dbraw/zinc/36/92/33/487369233.db2.gz KOHREBCKVDNANB-IONNQARKSA-N 1 2 195.266 1.466 20 0 ADADLO Cc1nc(C[N@H+](C)C[C@H]2C[C@@H]2C)no1 668795917 487369235 /nfs/dbraw/zinc/36/92/35/487369235.db2.gz KOHREBCKVDNANB-IONNQARKSA-N 1 2 195.266 1.466 20 0 ADADLO Cc1nc(C[N@@H+](C)C[C@H]2C[C@H]2C)no1 668795919 487369240 /nfs/dbraw/zinc/36/92/40/487369240.db2.gz KOHREBCKVDNANB-VXNVDRBHSA-N 1 2 195.266 1.466 20 0 ADADLO Cc1nc(C[N@H+](C)C[C@H]2C[C@H]2C)no1 668795919 487369243 /nfs/dbraw/zinc/36/92/43/487369243.db2.gz KOHREBCKVDNANB-VXNVDRBHSA-N 1 2 195.266 1.466 20 0 ADADLO Cc1nc(C[N@@H+](C)CC2(C)CC2)no1 668797848 487369337 /nfs/dbraw/zinc/36/93/37/487369337.db2.gz FOBBIKWCJZJVKZ-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1nc(C[N@H+](C)CC2(C)CC2)no1 668797848 487369339 /nfs/dbraw/zinc/36/93/39/487369339.db2.gz FOBBIKWCJZJVKZ-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1nc(C[N@@H+](C)C[C@@H]2C[C@H]2C)no1 668795913 487369451 /nfs/dbraw/zinc/36/94/51/487369451.db2.gz KOHREBCKVDNANB-APPZFPTMSA-N 1 2 195.266 1.466 20 0 ADADLO Cc1nc(C[N@H+](C)C[C@@H]2C[C@H]2C)no1 668795913 487369454 /nfs/dbraw/zinc/36/94/54/487369454.db2.gz KOHREBCKVDNANB-APPZFPTMSA-N 1 2 195.266 1.466 20 0 ADADLO c1cn(CCOCC2CCC2)c[nH+]1 668916043 487369825 /nfs/dbraw/zinc/36/98/25/487369825.db2.gz QJISPBGRTWWUTE-UHFFFAOYSA-N 1 2 180.251 1.700 20 0 ADADLO CCc1ccc(C)[nH+]c1CO 238358026 582459596 /nfs/dbraw/zinc/45/95/96/582459596.db2.gz GITOBLGVUONBMI-UHFFFAOYSA-N 1 2 151.209 1.445 20 0 ADADLO Cc1[nH]c(C(=O)NCC=CCl)c[nH+]1 891207061 582474854 /nfs/dbraw/zinc/47/48/54/582474854.db2.gz BAWRQWODPRDXQI-IHWYPQMZSA-N 1 2 199.641 1.200 20 0 ADADLO Cc1[nH]c(C(=O)NCC=CCl)c[nH+]1 891207062 582475007 /nfs/dbraw/zinc/47/50/07/582475007.db2.gz BAWRQWODPRDXQI-NSCUHMNNSA-N 1 2 199.641 1.200 20 0 ADADLO COCCn1c[nH+]c(C(C)(C)C)c1 201209954 582482910 /nfs/dbraw/zinc/48/29/10/582482910.db2.gz JLMBATDEXXKXII-UHFFFAOYSA-N 1 2 182.267 1.827 20 0 ADADLO CC(C)C[N@H+](CCO)CC(F)F 231345459 582483410 /nfs/dbraw/zinc/48/34/10/582483410.db2.gz IBDMOCHBQKJSEF-UHFFFAOYSA-N 1 2 181.226 1.202 20 0 ADADLO CC(C)C[N@@H+](CCO)CC(F)F 231345459 582483413 /nfs/dbraw/zinc/48/34/13/582483413.db2.gz IBDMOCHBQKJSEF-UHFFFAOYSA-N 1 2 181.226 1.202 20 0 ADADLO CC[C@H](C)C[N@H+](CCO)CC(F)F 231344495 582483429 /nfs/dbraw/zinc/48/34/29/582483429.db2.gz DSNDYLOBOZVNIO-QMMMGPOBSA-N 1 2 195.253 1.592 20 0 ADADLO CC[C@H](C)C[N@@H+](CCO)CC(F)F 231344495 582483430 /nfs/dbraw/zinc/48/34/30/582483430.db2.gz DSNDYLOBOZVNIO-QMMMGPOBSA-N 1 2 195.253 1.592 20 0 ADADLO CC(C)CC[N@H+](CCO)CC(F)F 231345101 582483469 /nfs/dbraw/zinc/48/34/69/582483469.db2.gz BSDXHBUNAQAYOF-UHFFFAOYSA-N 1 2 195.253 1.592 20 0 ADADLO CC(C)CC[N@@H+](CCO)CC(F)F 231345101 582483472 /nfs/dbraw/zinc/48/34/72/582483472.db2.gz BSDXHBUNAQAYOF-UHFFFAOYSA-N 1 2 195.253 1.592 20 0 ADADLO OCC[N@H+](CCC1CC1)CC(F)F 231345360 582483476 /nfs/dbraw/zinc/48/34/76/582483476.db2.gz XHWHALLHSIOLHY-UHFFFAOYSA-N 1 2 193.237 1.346 20 0 ADADLO OCC[N@@H+](CCC1CC1)CC(F)F 231345360 582483479 /nfs/dbraw/zinc/48/34/79/582483479.db2.gz XHWHALLHSIOLHY-UHFFFAOYSA-N 1 2 193.237 1.346 20 0 ADADLO CC[C@@H](C)C[N@H+](CCO)CC(F)F 231344492 582483500 /nfs/dbraw/zinc/48/35/00/582483500.db2.gz DSNDYLOBOZVNIO-MRVPVSSYSA-N 1 2 195.253 1.592 20 0 ADADLO CC[C@@H](C)C[N@@H+](CCO)CC(F)F 231344492 582483503 /nfs/dbraw/zinc/48/35/03/582483503.db2.gz DSNDYLOBOZVNIO-MRVPVSSYSA-N 1 2 195.253 1.592 20 0 ADADLO CC[C@H](C)[N@H+](CCO)CC(F)F 231347531 582483536 /nfs/dbraw/zinc/48/35/36/582483536.db2.gz ODOPBVXRFFFPMQ-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO CC[C@H](C)[N@@H+](CCO)CC(F)F 231347531 582483544 /nfs/dbraw/zinc/48/35/44/582483544.db2.gz ODOPBVXRFFFPMQ-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO CCCOCc1[nH]cc[nH+]1 306241867 582485492 /nfs/dbraw/zinc/48/54/92/582485492.db2.gz SGHDHZOGEPQYPC-UHFFFAOYSA-N 1 2 140.186 1.336 20 0 ADADLO Fc1c[nH+]ccc1NC1CCOCC1 306465507 582487138 /nfs/dbraw/zinc/48/71/38/582487138.db2.gz JDMXJFMSIDVLGH-UHFFFAOYSA-N 1 2 196.225 1.812 20 0 ADADLO CO[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cn1 306528941 582487327 /nfs/dbraw/zinc/48/73/27/582487327.db2.gz FBRQJCBKNFAJKP-RKDXNWHRSA-N 1 2 195.266 1.620 20 0 ADADLO CO[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cn1 306528935 582487344 /nfs/dbraw/zinc/48/73/44/582487344.db2.gz FBRQJCBKNFAJKP-BDAKNGLRSA-N 1 2 195.266 1.620 20 0 ADADLO c1c[nH+]c(COCc2ccon2)[nH]1 308340301 582488833 /nfs/dbraw/zinc/48/88/33/582488833.db2.gz QPJJDFDDXVACCA-UHFFFAOYSA-N 1 2 179.179 1.115 20 0 ADADLO CC[C@H](C)CNc1ccc(CO)c[nH+]1 393680996 582492138 /nfs/dbraw/zinc/49/21/38/582492138.db2.gz BWXSMUNDTBEGNF-VIFPVBQESA-N 1 2 194.278 1.454 20 0 ADADLO CNc1cc(NC2CC=CC2)nc[nH+]1 892916998 582496998 /nfs/dbraw/zinc/49/69/98/582496998.db2.gz OBVZQVCZIKTGRJ-UHFFFAOYSA-N 1 2 190.250 1.649 20 0 ADADLO CNc1cc(NC2CC=CC2)[nH+]cn1 892916998 582497000 /nfs/dbraw/zinc/49/70/00/582497000.db2.gz OBVZQVCZIKTGRJ-UHFFFAOYSA-N 1 2 190.250 1.649 20 0 ADADLO CC(C)CC(=O)NCc1cn(C)c[nH+]1 202437815 582501289 /nfs/dbraw/zinc/50/12/89/582501289.db2.gz ZZFXXLCJWDRPGZ-UHFFFAOYSA-N 1 2 195.266 1.082 20 0 ADADLO CC[N@H+](CCOC)CC(F)F 590942662 582504815 /nfs/dbraw/zinc/50/48/15/582504815.db2.gz XUJLIFRSDRFTNQ-UHFFFAOYSA-N 1 2 167.199 1.220 20 0 ADADLO CC[N@@H+](CCOC)CC(F)F 590942662 582504816 /nfs/dbraw/zinc/50/48/16/582504816.db2.gz XUJLIFRSDRFTNQ-UHFFFAOYSA-N 1 2 167.199 1.220 20 0 ADADLO CC(C)C[N@H+](C)CC(F)F 590942666 582504845 /nfs/dbraw/zinc/50/48/45/582504845.db2.gz IRVOCFJUHLECNK-UHFFFAOYSA-N 1 2 151.200 1.839 20 0 ADADLO CC(C)C[N@@H+](C)CC(F)F 590942666 582504846 /nfs/dbraw/zinc/50/48/46/582504846.db2.gz IRVOCFJUHLECNK-UHFFFAOYSA-N 1 2 151.200 1.839 20 0 ADADLO CC/C=C/CNc1cc(NC)[nH+]cn1 894045212 582509815 /nfs/dbraw/zinc/50/98/15/582509815.db2.gz DQVLEAZQJYBRDX-SNAWJCMRSA-N 1 2 192.266 1.896 20 0 ADADLO CC/C=C/CNc1cc(NC)nc[nH+]1 894045212 582509817 /nfs/dbraw/zinc/50/98/17/582509817.db2.gz DQVLEAZQJYBRDX-SNAWJCMRSA-N 1 2 192.266 1.896 20 0 ADADLO CC/C=C\CNc1cc(NC)[nH+]cn1 894045211 582510024 /nfs/dbraw/zinc/51/00/24/582510024.db2.gz DQVLEAZQJYBRDX-PLNGDYQASA-N 1 2 192.266 1.896 20 0 ADADLO CC/C=C\CNc1cc(NC)nc[nH+]1 894045211 582510025 /nfs/dbraw/zinc/51/00/25/582510025.db2.gz DQVLEAZQJYBRDX-PLNGDYQASA-N 1 2 192.266 1.896 20 0 ADADLO ClC1=CCC[N@H+](Cc2cn[nH]c2)C1 878791107 582513485 /nfs/dbraw/zinc/51/34/85/582513485.db2.gz FNQUTVBLLPFYNH-UHFFFAOYSA-N 1 2 197.669 1.738 20 0 ADADLO ClC1=CCC[N@@H+](Cc2cn[nH]c2)C1 878791107 582513489 /nfs/dbraw/zinc/51/34/89/582513489.db2.gz FNQUTVBLLPFYNH-UHFFFAOYSA-N 1 2 197.669 1.738 20 0 ADADLO CNc1cc(N[C@H]2C=CCC2)nc[nH+]1 894523541 582515669 /nfs/dbraw/zinc/51/56/69/582515669.db2.gz ZDGGPEIENKOJKL-QMMMGPOBSA-N 1 2 190.250 1.649 20 0 ADADLO CNc1cc(N[C@H]2C=CCC2)[nH+]cn1 894523541 582515672 /nfs/dbraw/zinc/51/56/72/582515672.db2.gz ZDGGPEIENKOJKL-QMMMGPOBSA-N 1 2 190.250 1.649 20 0 ADADLO CN(Cc1c[nH+]c[nH]1)c1nccs1 894472676 582515790 /nfs/dbraw/zinc/51/57/90/582515790.db2.gz UNNLLWNHUSMINO-UHFFFAOYSA-N 1 2 194.263 1.503 20 0 ADADLO CN(Cc1c[nH]c[nH+]1)c1nccs1 894472676 582515792 /nfs/dbraw/zinc/51/57/92/582515792.db2.gz UNNLLWNHUSMINO-UHFFFAOYSA-N 1 2 194.263 1.503 20 0 ADADLO CNc1cc(N[C@@H]2C=CCC2)nc[nH+]1 894523540 582516102 /nfs/dbraw/zinc/51/61/02/582516102.db2.gz ZDGGPEIENKOJKL-MRVPVSSYSA-N 1 2 190.250 1.649 20 0 ADADLO CNc1cc(N[C@@H]2C=CCC2)[nH+]cn1 894523540 582516105 /nfs/dbraw/zinc/51/61/05/582516105.db2.gz ZDGGPEIENKOJKL-MRVPVSSYSA-N 1 2 190.250 1.649 20 0 ADADLO CC(=O)OC[C@@H](C)[NH2+]CC(C)(F)F 894624688 582516878 /nfs/dbraw/zinc/51/68/78/582516878.db2.gz MDOUWKLRIXZNBK-ZCFIWIBFSA-N 1 2 195.209 1.183 20 0 ADADLO CC(=O)OC[C@H](C)[NH2+]CC(C)(F)F 894624687 582517222 /nfs/dbraw/zinc/51/72/22/582517222.db2.gz MDOUWKLRIXZNBK-LURJTMIESA-N 1 2 195.209 1.183 20 0 ADADLO FC1CC[NH+](Cc2ncccn2)CC1 880239149 582517815 /nfs/dbraw/zinc/51/78/15/582517815.db2.gz AHVZJVCFQNUHHO-UHFFFAOYSA-N 1 2 195.241 1.411 20 0 ADADLO COC1(C)C[NH+](Cc2ocnc2C)C1 894780856 582518711 /nfs/dbraw/zinc/51/87/11/582518711.db2.gz KMAQQIPFPQQQKS-UHFFFAOYSA-N 1 2 196.250 1.204 20 0 ADADLO CCC1C[NH+](Cc2cn(CC)nn2)C1 894814084 582518736 /nfs/dbraw/zinc/51/87/36/582518736.db2.gz XWTXITSFWJIGED-UHFFFAOYSA-N 1 2 194.282 1.140 20 0 ADADLO Cc1ncoc1C[N@@H+]1CC[C@H](F)C1 894873526 582520511 /nfs/dbraw/zinc/52/05/11/582520511.db2.gz INYLGWBYXQTXPW-QMMMGPOBSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1ncoc1C[N@H+]1CC[C@H](F)C1 894873526 582520512 /nfs/dbraw/zinc/52/05/12/582520512.db2.gz INYLGWBYXQTXPW-QMMMGPOBSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1ncoc1C[N@@H+]1CC[C@@H](F)C1 894873510 582520763 /nfs/dbraw/zinc/52/07/63/582520763.db2.gz INYLGWBYXQTXPW-MRVPVSSYSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1ncoc1C[N@H+]1CC[C@@H](F)C1 894873510 582520764 /nfs/dbraw/zinc/52/07/64/582520764.db2.gz INYLGWBYXQTXPW-MRVPVSSYSA-N 1 2 184.214 1.527 20 0 ADADLO CCC1(C)C[NH+](Cc2cnc[nH]2)C1 894980664 582521845 /nfs/dbraw/zinc/52/18/45/582521845.db2.gz VRGITYSYEWYDDR-UHFFFAOYSA-N 1 2 179.267 1.642 20 0 ADADLO CCOC1C[NH+](Cc2ocnc2C)C1 894971170 582522336 /nfs/dbraw/zinc/52/23/36/582522336.db2.gz UASUTQFSCOKVKO-UHFFFAOYSA-N 1 2 196.250 1.204 20 0 ADADLO O[C@H]1C[C@@H](Nc2cccc[nH+]2)C1 335132153 582524430 /nfs/dbraw/zinc/52/44/30/582524430.db2.gz SRJRLBRUNLEZKF-OCAPTIKFSA-N 1 2 164.208 1.017 20 0 ADADLO CC1(C)C[NH+](Cc2c[nH]cn2)C1 895456532 582528700 /nfs/dbraw/zinc/52/87/00/582528700.db2.gz GQAFGFYQVUMCFJ-UHFFFAOYSA-N 1 2 165.240 1.252 20 0 ADADLO CC1(C)C[NH+](Cc2cnc[nH]2)C1 895456532 582528702 /nfs/dbraw/zinc/52/87/02/582528702.db2.gz GQAFGFYQVUMCFJ-UHFFFAOYSA-N 1 2 165.240 1.252 20 0 ADADLO Cc1c[nH]c(C[NH+]2CCC(F)CC2)n1 895545935 582528914 /nfs/dbraw/zinc/52/89/14/582528914.db2.gz IXVFJMGUZHYKCC-UHFFFAOYSA-N 1 2 197.257 1.652 20 0 ADADLO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCOC1=O 895807297 582530797 /nfs/dbraw/zinc/53/07/97/582530797.db2.gz NLHSGUKEBZWKQU-VGMNWLOBSA-N 1 2 183.251 1.080 20 0 ADADLO CCn1cc(C[NH+]2CC(C)(C)C2)nn1 895825841 582530826 /nfs/dbraw/zinc/53/08/26/582530826.db2.gz OQEJTEBZAUMYSR-UHFFFAOYSA-N 1 2 194.282 1.140 20 0 ADADLO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCOC1=O 895807296 582530968 /nfs/dbraw/zinc/53/09/68/582530968.db2.gz NLHSGUKEBZWKQU-HLTSFMKQSA-N 1 2 183.251 1.080 20 0 ADADLO O=C1OCC[C@@H]1[NH2+]C1CC2(CCC2)C1 895809255 582531002 /nfs/dbraw/zinc/53/10/02/582531002.db2.gz SEFZZXDJAACEIN-VIFPVBQESA-N 1 2 195.262 1.224 20 0 ADADLO CC1(C)CC([NH2+][C@H]2CCOC2=O)C1 895804748 582531170 /nfs/dbraw/zinc/53/11/70/582531170.db2.gz WVHDJYREPVOWOU-QMMMGPOBSA-N 1 2 183.251 1.080 20 0 ADADLO CC[C@H]1CC[C@H]1[NH2+][C@H]1CCOC1=O 895807298 582531182 /nfs/dbraw/zinc/53/11/82/582531182.db2.gz NLHSGUKEBZWKQU-YIZRAAEISA-N 1 2 183.251 1.080 20 0 ADADLO CC[C@H]1CC[C@@H]1[NH2+][C@H]1CCOC1=O 895807295 582531282 /nfs/dbraw/zinc/53/12/82/582531282.db2.gz NLHSGUKEBZWKQU-CIUDSAMLSA-N 1 2 183.251 1.080 20 0 ADADLO C[NH+](C)C1(c2nc(C3CC3)no2)CC1 895986013 582531692 /nfs/dbraw/zinc/53/16/92/582531692.db2.gz LYPRQSBPTCIZHF-UHFFFAOYSA-N 1 2 193.250 1.498 20 0 ADADLO c1cc(C[NH+]2CC3(CC3)C2)n[nH]1 896120944 582531964 /nfs/dbraw/zinc/53/19/64/582531964.db2.gz ASHXGHJEAMQXRP-UHFFFAOYSA-N 1 2 163.224 1.006 20 0 ADADLO Cn1ccc(C[NH+]2CC3(CC3)C2)n1 896121865 582532494 /nfs/dbraw/zinc/53/24/94/582532494.db2.gz LWNNOSJZGBBPSY-UHFFFAOYSA-N 1 2 177.251 1.016 20 0 ADADLO OC[C@H]1C[C@H](Nc2cccc[nH+]2)C1 896689750 582534464 /nfs/dbraw/zinc/53/44/64/582534464.db2.gz IFBSHFVUMUQVIG-KYZUINATSA-N 1 2 178.235 1.264 20 0 ADADLO CCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 896929411 582537297 /nfs/dbraw/zinc/53/72/97/582537297.db2.gz HRIXWNFYWMXRGU-UHFFFAOYSA-N 1 2 195.266 1.443 20 0 ADADLO CCC(=O)NCc1[nH]c(C)c(C)[nH+]1 896929891 582537368 /nfs/dbraw/zinc/53/73/68/582537368.db2.gz PPTKGXAYGVHBOJ-UHFFFAOYSA-N 1 2 181.239 1.053 20 0 ADADLO Cc1[nH]c(CNC(=O)C(C)C)[nH+]c1C 896929304 582537427 /nfs/dbraw/zinc/53/74/27/582537427.db2.gz GQQKHRUBJLLZAN-UHFFFAOYSA-N 1 2 195.266 1.299 20 0 ADADLO Cc1[nH]c(CNC(=O)C2CC2)[nH+]c1C 896930159 582537798 /nfs/dbraw/zinc/53/77/98/582537798.db2.gz UYNILIXJHHJOGJ-UHFFFAOYSA-N 1 2 193.250 1.053 20 0 ADADLO CC(C)(O)Cn1c[nH+]c(C(C)(C)C)c1 144330450 582540549 /nfs/dbraw/zinc/54/05/49/582540549.db2.gz FWGNYURCQMSCCV-UHFFFAOYSA-N 1 2 196.294 1.952 20 0 ADADLO Cc1nc(NC/C=C\Cl)cc[nH+]1 897506327 582547621 /nfs/dbraw/zinc/54/76/21/582547621.db2.gz ZEBPPLIAVZMOBG-RQOWECAXSA-N 1 2 183.642 1.949 20 0 ADADLO Cc1nc(NC/C=C/Cl)cc[nH+]1 897506326 582547684 /nfs/dbraw/zinc/54/76/84/582547684.db2.gz ZEBPPLIAVZMOBG-DUXPYHPUSA-N 1 2 183.642 1.949 20 0 ADADLO FC(F)C1C[NH+](Cc2ccco2)C1 585382473 582551554 /nfs/dbraw/zinc/55/15/54/582551554.db2.gz JZYBSRNSUCVZFQ-UHFFFAOYSA-N 1 2 187.189 1.977 20 0 ADADLO ClC=CC[NH2+]Cc1c[nH]cn1 898427655 582554017 /nfs/dbraw/zinc/55/40/17/582554017.db2.gz DJNCQWYZIGOBSB-UPHRSURJSA-N 1 2 171.631 1.252 20 0 ADADLO ClC=CC[NH2+]Cc1c[nH]cn1 898427646 582554081 /nfs/dbraw/zinc/55/40/81/582554081.db2.gz DJNCQWYZIGOBSB-OWOJBTEDSA-N 1 2 171.631 1.252 20 0 ADADLO Cc1[nH]c(CNC/C=C/Cl)[nH+]c1C 898430000 582554551 /nfs/dbraw/zinc/55/45/51/582554551.db2.gz SBPOYNXNIBDZAR-ONEGZZNKSA-N 1 2 199.685 1.869 20 0 ADADLO Cc1[nH]c(CNC/C=C\Cl)[nH+]c1C 898429999 582554713 /nfs/dbraw/zinc/55/47/13/582554713.db2.gz SBPOYNXNIBDZAR-ARJAWSKDSA-N 1 2 199.685 1.869 20 0 ADADLO Cl/C=C/C[NH2+]Cc1cscn1 898435825 582554772 /nfs/dbraw/zinc/55/47/72/582554772.db2.gz NINYJWMBEUHULL-OWOJBTEDSA-N 1 2 188.683 1.985 20 0 ADADLO Cc1[nH]ncc1C[NH2+]C/C=C\Cl 898436063 582554807 /nfs/dbraw/zinc/55/48/07/582554807.db2.gz QEFPFGCBYCRGHR-IHWYPQMZSA-N 1 2 185.658 1.560 20 0 ADADLO Cl/C=C\C[NH2+]Cc1cscn1 898435826 582554844 /nfs/dbraw/zinc/55/48/44/582554844.db2.gz NINYJWMBEUHULL-UPHRSURJSA-N 1 2 188.683 1.985 20 0 ADADLO Cc1[nH]ncc1C[NH2+]C/C=C/Cl 898436064 582554975 /nfs/dbraw/zinc/55/49/75/582554975.db2.gz QEFPFGCBYCRGHR-NSCUHMNNSA-N 1 2 185.658 1.560 20 0 ADADLO CCC(CC)NC(=O)Cc1c[nH]c[nH+]1 899930458 582567131 /nfs/dbraw/zinc/56/71/31/582567131.db2.gz VEBPSNLNJLPZHU-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CCC(CC)NC(=O)Cc1c[nH+]c[nH]1 899930458 582567132 /nfs/dbraw/zinc/56/71/32/582567132.db2.gz VEBPSNLNJLPZHU-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 900075926 582568619 /nfs/dbraw/zinc/56/86/19/582568619.db2.gz GGLWZXXAVNKKTR-MRVPVSSYSA-N 1 2 195.266 1.257 20 0 ADADLO CCC[C@@H](C)NC(=O)Cc1c[nH+]c[nH]1 900075926 582568621 /nfs/dbraw/zinc/56/86/21/582568621.db2.gz GGLWZXXAVNKKTR-MRVPVSSYSA-N 1 2 195.266 1.257 20 0 ADADLO COCCC(=O)Nc1cc[nH+]c(C)c1 169811672 582568667 /nfs/dbraw/zinc/56/86/67/582568667.db2.gz VKGLMDCMYZUZKM-UHFFFAOYSA-N 1 2 194.234 1.365 20 0 ADADLO CCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 900075927 582568696 /nfs/dbraw/zinc/56/86/96/582568696.db2.gz GGLWZXXAVNKKTR-QMMMGPOBSA-N 1 2 195.266 1.257 20 0 ADADLO CCC[C@H](C)NC(=O)Cc1c[nH+]c[nH]1 900075927 582568699 /nfs/dbraw/zinc/56/86/99/582568699.db2.gz GGLWZXXAVNKKTR-QMMMGPOBSA-N 1 2 195.266 1.257 20 0 ADADLO CCC(C)(C)NC(=O)Cc1c[nH]c[nH+]1 900093341 582569628 /nfs/dbraw/zinc/56/96/28/582569628.db2.gz WVYCSXOSVIZNQR-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CCC(C)(C)NC(=O)Cc1c[nH+]c[nH]1 900093341 582569631 /nfs/dbraw/zinc/56/96/31/582569631.db2.gz WVYCSXOSVIZNQR-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CC(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 900143068 582570397 /nfs/dbraw/zinc/57/03/97/582570397.db2.gz AWSYQWTUBCMBOX-UHFFFAOYSA-N 1 2 195.266 1.067 20 0 ADADLO CCCN(CC)C(=O)Cc1c[nH+]c[nH]1 900143404 582570812 /nfs/dbraw/zinc/57/08/12/582570812.db2.gz GOIHOPFWKQAYQB-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C 900294135 582571949 /nfs/dbraw/zinc/57/19/49/582571949.db2.gz FHKCPBSCDMHCLW-UHFFFAOYSA-N 1 2 195.266 1.209 20 0 ADADLO C/C(Cl)=C/C(=O)NCc1[nH]cc[nH+]1 900666980 582576376 /nfs/dbraw/zinc/57/63/76/582576376.db2.gz XYMZWFIYZLDDAF-XQRVVYSFSA-N 1 2 199.641 1.169 20 0 ADADLO CC(Cl)=CC(=O)NCc1[nH]cc[nH+]1 900666980 582576378 /nfs/dbraw/zinc/57/63/78/582576378.db2.gz XYMZWFIYZLDDAF-XQRVVYSFSA-N 1 2 199.641 1.169 20 0 ADADLO C/C(Cl)=C\C(=O)NCc1[nH]cc[nH+]1 900666979 582576445 /nfs/dbraw/zinc/57/64/45/582576445.db2.gz XYMZWFIYZLDDAF-GQCTYLIASA-N 1 2 199.641 1.169 20 0 ADADLO CC(Cl)=CC(=O)NCc1[nH]cc[nH+]1 900666979 582576447 /nfs/dbraw/zinc/57/64/47/582576447.db2.gz XYMZWFIYZLDDAF-GQCTYLIASA-N 1 2 199.641 1.169 20 0 ADADLO C/C(Cl)=C\C(=O)NCc1c[nH+]c[nH]1 900781985 582576793 /nfs/dbraw/zinc/57/67/93/582576793.db2.gz SQVMTAWVSRWTMY-QHHAFSJGSA-N 1 2 199.641 1.169 20 0 ADADLO CC(Cl)=CC(=O)NCc1c[nH]c[nH+]1 900781985 582576795 /nfs/dbraw/zinc/57/67/95/582576795.db2.gz SQVMTAWVSRWTMY-QHHAFSJGSA-N 1 2 199.641 1.169 20 0 ADADLO C/C(Cl)=C/C(=O)NCc1c[nH+]c[nH]1 900781984 582577121 /nfs/dbraw/zinc/57/71/21/582577121.db2.gz SQVMTAWVSRWTMY-KXFIGUGUSA-N 1 2 199.641 1.169 20 0 ADADLO CC(Cl)=CC(=O)NCc1c[nH]c[nH+]1 900781984 582577123 /nfs/dbraw/zinc/57/71/23/582577123.db2.gz SQVMTAWVSRWTMY-KXFIGUGUSA-N 1 2 199.641 1.169 20 0 ADADLO C/C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1 901001473 582578476 /nfs/dbraw/zinc/57/84/76/582578476.db2.gz WKSLRPLAIWUQOI-PLNGDYQASA-N 1 2 193.250 1.219 20 0 ADADLO CC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 901001473 582578479 /nfs/dbraw/zinc/57/84/79/582578479.db2.gz WKSLRPLAIWUQOI-PLNGDYQASA-N 1 2 193.250 1.219 20 0 ADADLO C/C=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1 901001474 582578576 /nfs/dbraw/zinc/57/85/76/582578576.db2.gz WKSLRPLAIWUQOI-SNAWJCMRSA-N 1 2 193.250 1.219 20 0 ADADLO CC=CC(=O)NCc1[nH]c(C)c(C)[nH+]1 901001474 582578578 /nfs/dbraw/zinc/57/85/78/582578578.db2.gz WKSLRPLAIWUQOI-SNAWJCMRSA-N 1 2 193.250 1.219 20 0 ADADLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 901210183 582580588 /nfs/dbraw/zinc/58/05/88/582580588.db2.gz NHFTYDJTRUMKAY-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO CC1(NC(=O)Cc2c[nH+]c[nH]2)CCC1 901210183 582580592 /nfs/dbraw/zinc/58/05/92/582580592.db2.gz NHFTYDJTRUMKAY-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO Cn1c[nH+]c(CSC2COC2)c1 901632199 582589031 /nfs/dbraw/zinc/58/90/31/582589031.db2.gz GDYSPKWIRGRRGJ-UHFFFAOYSA-N 1 2 184.264 1.052 20 0 ADADLO Cn1cc[nH+]c1CSC1COC1 901634867 582589516 /nfs/dbraw/zinc/58/95/16/582589516.db2.gz UFSIZHBEVWGQCB-UHFFFAOYSA-N 1 2 184.264 1.052 20 0 ADADLO c1cn(CCSC2COC2)c[nH+]1 901635611 582589526 /nfs/dbraw/zinc/58/95/26/582589526.db2.gz UCBJMZAUYBPJDY-UHFFFAOYSA-N 1 2 184.264 1.015 20 0 ADADLO Cn1c[nH+]cc1CSC1COC1 901642159 582590348 /nfs/dbraw/zinc/59/03/48/582590348.db2.gz MKDAYPPMEMATKU-UHFFFAOYSA-N 1 2 184.264 1.052 20 0 ADADLO Cc1[nH]c(CNc2ccon2)[nH+]c1C 902035686 582593334 /nfs/dbraw/zinc/59/33/34/582593334.db2.gz BYDLNAOTIWJUTR-UHFFFAOYSA-N 1 2 192.222 1.627 20 0 ADADLO Cc1[nH]c(CNc2nnco2)[nH+]c1C 902078877 582593551 /nfs/dbraw/zinc/59/35/51/582593551.db2.gz QLOXGRYWZJEKLI-UHFFFAOYSA-N 1 2 193.210 1.022 20 0 ADADLO CC[C@@H]1C[C@H]1COCc1[nH]cc[nH+]1 902395890 582602673 /nfs/dbraw/zinc/60/26/73/582602673.db2.gz FPRQQOWJLGQQOB-BDAKNGLRSA-N 1 2 180.251 1.972 20 0 ADADLO CCO[NH+]=C(N)Cc1ccccc1F 902623001 582610584 /nfs/dbraw/zinc/61/05/84/582610584.db2.gz LTJXXUJFVPPPRS-UHFFFAOYSA-N 1 2 196.225 1.887 20 0 ADADLO C[C@H](O[NH+]=C(N)CO)c1ccccc1 902763914 582612256 /nfs/dbraw/zinc/61/22/56/582612256.db2.gz NFXDOGFMBYHJMS-QMMMGPOBSA-N 1 2 194.234 1.238 20 0 ADADLO C[C@@H](O[NH+]=C(N)CO)c1ccccc1 902763913 582612492 /nfs/dbraw/zinc/61/24/92/582612492.db2.gz NFXDOGFMBYHJMS-MRVPVSSYSA-N 1 2 194.234 1.238 20 0 ADADLO CC(C)CC(=O)NCc1[nH+]ccn1C 169946792 582619438 /nfs/dbraw/zinc/61/94/38/582619438.db2.gz QEGCSLBRFICPSJ-UHFFFAOYSA-N 1 2 195.266 1.082 20 0 ADADLO FCC[N@@H+]1CCC[C@@H](F)C1 902996539 582619926 /nfs/dbraw/zinc/61/99/26/582619926.db2.gz UOBLQFIXXZGUKW-SSDOTTSWSA-N 1 2 149.184 1.390 20 0 ADADLO FCC[N@H+]1CCC[C@@H](F)C1 902996539 582619928 /nfs/dbraw/zinc/61/99/28/582619928.db2.gz UOBLQFIXXZGUKW-SSDOTTSWSA-N 1 2 149.184 1.390 20 0 ADADLO Cn1c[nH+]c(CN2CCC[C@@H](F)C2)c1 902994790 582619953 /nfs/dbraw/zinc/61/99/53/582619953.db2.gz INSRCJPZRIPGPY-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cnc(C[N@@H+]2CCC[C@@H](F)C2)c1 902994790 582619959 /nfs/dbraw/zinc/61/99/59/582619959.db2.gz INSRCJPZRIPGPY-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cnc(C[N@H+]2CCC[C@@H](F)C2)c1 902994790 582619961 /nfs/dbraw/zinc/61/99/61/582619961.db2.gz INSRCJPZRIPGPY-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cc1oncc1C[N@H+]1CCC[C@@H](F)C1 902994259 582620333 /nfs/dbraw/zinc/62/03/33/582620333.db2.gz ARDXAYPLIFCGKX-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO F[C@H]1CCC[N@H+](Cc2ccno2)C1 902996746 582620217 /nfs/dbraw/zinc/62/02/17/582620217.db2.gz WJBXUVAEINOPJZ-QMMMGPOBSA-N 1 2 184.214 1.609 20 0 ADADLO F[C@H]1CCC[N@@H+](Cc2ccno2)C1 902996746 582620218 /nfs/dbraw/zinc/62/02/18/582620218.db2.gz WJBXUVAEINOPJZ-QMMMGPOBSA-N 1 2 184.214 1.609 20 0 ADADLO Cc1oncc1C[N@@H+]1CCC[C@@H](F)C1 902994259 582620331 /nfs/dbraw/zinc/62/03/31/582620331.db2.gz ARDXAYPLIFCGKX-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO F[C@@H]1CCC[N@H+](Cc2ccno2)C1 902996742 582620578 /nfs/dbraw/zinc/62/05/78/582620578.db2.gz WJBXUVAEINOPJZ-MRVPVSSYSA-N 1 2 184.214 1.609 20 0 ADADLO F[C@@H]1CCC[N@@H+](Cc2ccno2)C1 902996742 582620581 /nfs/dbraw/zinc/62/05/81/582620581.db2.gz WJBXUVAEINOPJZ-MRVPVSSYSA-N 1 2 184.214 1.609 20 0 ADADLO Cc1oncc1C[N@@H+]1CCC[C@H](F)C1 902994258 582620651 /nfs/dbraw/zinc/62/06/51/582620651.db2.gz ARDXAYPLIFCGKX-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1oncc1C[N@H+]1CCC[C@H](F)C1 902994258 582620654 /nfs/dbraw/zinc/62/06/54/582620654.db2.gz ARDXAYPLIFCGKX-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cn1c[nH+]c(CN2CCC[C@H](F)C2)c1 902994791 582620750 /nfs/dbraw/zinc/62/07/50/582620750.db2.gz INSRCJPZRIPGPY-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cnc(C[N@@H+]2CCC[C@H](F)C2)c1 902994791 582620753 /nfs/dbraw/zinc/62/07/53/582620753.db2.gz INSRCJPZRIPGPY-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cnc(C[N@H+]2CCC[C@H](F)C2)c1 902994791 582620755 /nfs/dbraw/zinc/62/07/55/582620755.db2.gz INSRCJPZRIPGPY-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO FCC[N@@H+]1CCC[C@H](F)C1 902996540 582620869 /nfs/dbraw/zinc/62/08/69/582620869.db2.gz UOBLQFIXXZGUKW-ZETCQYMHSA-N 1 2 149.184 1.390 20 0 ADADLO FCC[N@H+]1CCC[C@H](F)C1 902996540 582620872 /nfs/dbraw/zinc/62/08/72/582620872.db2.gz UOBLQFIXXZGUKW-ZETCQYMHSA-N 1 2 149.184 1.390 20 0 ADADLO Nc1cccc(CN2CC=CC[NH2+]2)c1 903489364 582625561 /nfs/dbraw/zinc/62/55/61/582625561.db2.gz OPNSEVSSRHOXDB-UHFFFAOYSA-N 1 2 189.262 1.145 20 0 ADADLO COCCCCCN1CC=CC[NH2+]1 903488442 582625792 /nfs/dbraw/zinc/62/57/92/582625792.db2.gz COPFNRVTQKRRIN-UHFFFAOYSA-N 1 2 184.283 1.180 20 0 ADADLO CCNC(=O)c1c(C)cc(C)[nH+]c1C 905053756 582641962 /nfs/dbraw/zinc/64/19/62/582641962.db2.gz LOBYQDLLPRGZQT-UHFFFAOYSA-N 1 2 192.262 1.757 20 0 ADADLO Cc1cc(C)c(C(=O)N(C)C)c(C)[nH+]1 905853468 582652653 /nfs/dbraw/zinc/65/26/53/582652653.db2.gz FHILFFJGJKHZOY-UHFFFAOYSA-N 1 2 192.262 1.709 20 0 ADADLO CONC(=O)c1c(C)cc(C)[nH+]c1C 905862886 582652797 /nfs/dbraw/zinc/65/27/97/582652797.db2.gz ADYDAJBZWQOWAW-UHFFFAOYSA-N 1 2 194.234 1.298 20 0 ADADLO Cn1cc(-c2cn3c([nH+]2)CCC3)cn1 906153037 582655041 /nfs/dbraw/zinc/65/50/41/582655041.db2.gz DUJWYVUUDNEMSC-UHFFFAOYSA-N 1 2 188.234 1.230 20 0 ADADLO c1ncc(-c2cn3c([nH+]2)CCC3)cn1 906164423 582655095 /nfs/dbraw/zinc/65/50/95/582655095.db2.gz JJKZOLBCZQKXQF-UHFFFAOYSA-N 1 2 186.218 1.286 20 0 ADADLO CCCC[N@@H+]1Cc2cnn(C)c2C1 906534014 582657055 /nfs/dbraw/zinc/65/70/55/582657055.db2.gz MHBIBUZJVBMIQO-UHFFFAOYSA-N 1 2 179.267 1.536 20 0 ADADLO CCCC[N@H+]1Cc2cnn(C)c2C1 906534014 582657059 /nfs/dbraw/zinc/65/70/59/582657059.db2.gz MHBIBUZJVBMIQO-UHFFFAOYSA-N 1 2 179.267 1.536 20 0 ADADLO CC(C)c1nc(N(C)CCO)cc[nH+]1 731905417 582675179 /nfs/dbraw/zinc/67/51/79/582675179.db2.gz GFJGWDRLYAMDCF-UHFFFAOYSA-N 1 2 195.266 1.029 20 0 ADADLO CCC/C=C/C(=O)NCc1[nH]cc[nH+]1 733955876 582680972 /nfs/dbraw/zinc/68/09/72/582680972.db2.gz RANDLDNBTQZDGM-SNAWJCMRSA-N 1 2 193.250 1.382 20 0 ADADLO CCCC=CC(=O)NCc1[nH]cc[nH+]1 733955876 582680973 /nfs/dbraw/zinc/68/09/73/582680973.db2.gz RANDLDNBTQZDGM-SNAWJCMRSA-N 1 2 193.250 1.382 20 0 ADADLO CCC/C=C\C(=O)NCc1[nH]cc[nH+]1 733955875 582681216 /nfs/dbraw/zinc/68/12/16/582681216.db2.gz RANDLDNBTQZDGM-PLNGDYQASA-N 1 2 193.250 1.382 20 0 ADADLO CCCC=CC(=O)NCc1[nH]cc[nH+]1 733955875 582681217 /nfs/dbraw/zinc/68/12/17/582681217.db2.gz RANDLDNBTQZDGM-PLNGDYQASA-N 1 2 193.250 1.382 20 0 ADADLO CCCCC(=O)NCc1cn(C)c[nH+]1 890116910 582695939 /nfs/dbraw/zinc/69/59/39/582695939.db2.gz IAUWMAQMOGXIJL-UHFFFAOYSA-N 1 2 195.266 1.227 20 0 ADADLO OC1(CNc2cccc[nH+]2)CCC1 158671451 582697440 /nfs/dbraw/zinc/69/74/40/582697440.db2.gz SEYFFZFVPZQMDJ-UHFFFAOYSA-N 1 2 178.235 1.409 20 0 ADADLO CC[C@@H](C)C(=O)NCCn1cc[nH+]c1 202384743 582699278 /nfs/dbraw/zinc/69/92/78/582699278.db2.gz NTDPNXPQHDWLGA-SECBINFHSA-N 1 2 195.266 1.045 20 0 ADADLO CC[C@H](C)C(=O)NCCn1cc[nH+]c1 202384770 582699286 /nfs/dbraw/zinc/69/92/86/582699286.db2.gz NTDPNXPQHDWLGA-VIFPVBQESA-N 1 2 195.266 1.045 20 0 ADADLO CO[C@H]1CCN(c2cc(C)[nH+]cn2)C1 170540786 582707113 /nfs/dbraw/zinc/70/71/13/582707113.db2.gz ISKYBVBDBZSWDA-VIFPVBQESA-N 1 2 193.250 1.010 20 0 ADADLO CC(C)[N@H+](C)Cc1noc(C2CC2)n1 205255393 582709552 /nfs/dbraw/zinc/70/95/52/582709552.db2.gz OXDMLTXKRUMLCF-UHFFFAOYSA-N 1 2 195.266 1.787 20 0 ADADLO CC(C)[N@@H+](C)Cc1noc(C2CC2)n1 205255393 582709553 /nfs/dbraw/zinc/70/95/53/582709553.db2.gz OXDMLTXKRUMLCF-UHFFFAOYSA-N 1 2 195.266 1.787 20 0 ADADLO CC(=O)OCc1ccc[nH+]c1N(C)C 838946089 582723056 /nfs/dbraw/zinc/72/30/56/582723056.db2.gz LGCBSLNIGUMGDN-UHFFFAOYSA-N 1 2 194.234 1.211 20 0 ADADLO CCC1C[NH+](Cc2cnn(CC)n2)C1 839129883 582726108 /nfs/dbraw/zinc/72/61/08/582726108.db2.gz RUPKISROOUBANN-UHFFFAOYSA-N 1 2 194.282 1.140 20 0 ADADLO COC1C[NH+](Cc2cc(C)oc2C)C1 839131377 582726281 /nfs/dbraw/zinc/72/62/81/582726281.db2.gz TVVJVTCIWGNJSY-UHFFFAOYSA-N 1 2 195.262 1.727 20 0 ADADLO CCC1(C)C[NH+](Cc2cnn(C)n2)C1 839142203 582726451 /nfs/dbraw/zinc/72/64/51/582726451.db2.gz DIPGTKFFTFGTFM-UHFFFAOYSA-N 1 2 194.282 1.047 20 0 ADADLO C[N@@H+](Cc1ccco1)CC1OCCO1 741155546 582731750 /nfs/dbraw/zinc/73/17/50/582731750.db2.gz JRLCMGFRXAATAE-UHFFFAOYSA-N 1 2 197.234 1.084 20 0 ADADLO C[N@H+](Cc1ccco1)CC1OCCO1 741155546 582731752 /nfs/dbraw/zinc/73/17/52/582731752.db2.gz JRLCMGFRXAATAE-UHFFFAOYSA-N 1 2 197.234 1.084 20 0 ADADLO CCCCOC(=O)[C@H](C)n1cc[nH+]c1 741775917 582732810 /nfs/dbraw/zinc/73/28/10/582732810.db2.gz ZNMRTZFDYVDRSD-VIFPVBQESA-N 1 2 196.250 1.787 20 0 ADADLO CCCCOC(=O)[C@@H](C)n1cc[nH+]c1 741775916 582732832 /nfs/dbraw/zinc/73/28/32/582732832.db2.gz ZNMRTZFDYVDRSD-SECBINFHSA-N 1 2 196.250 1.787 20 0 ADADLO C/C=C/C(=O)Nc1c[nH+]ccc1OC 748204706 582750973 /nfs/dbraw/zinc/75/09/73/582750973.db2.gz UKDACXVCSHCBLI-ONEGZZNKSA-N 1 2 192.218 1.605 20 0 ADADLO C/C=C\C(=O)Nc1c[nH+]ccc1OC 748204705 582751259 /nfs/dbraw/zinc/75/12/59/582751259.db2.gz UKDACXVCSHCBLI-ARJAWSKDSA-N 1 2 192.218 1.605 20 0 ADADLO CC(=O)Nc1ccc(C)[nH+]c1N(C)C 749996599 582756386 /nfs/dbraw/zinc/75/63/86/582756386.db2.gz OTVCVPXFHAIGKS-UHFFFAOYSA-N 1 2 193.250 1.414 20 0 ADADLO C/C=C(/C)C(=O)NCc1[nH+]ccn1C 751376176 582761818 /nfs/dbraw/zinc/76/18/18/582761818.db2.gz DNFQUSWMJRWWHG-YWEYNIOJSA-N 1 2 193.250 1.003 20 0 ADADLO CC=C(C)C(=O)Nc1cc[nH+]cc1C 751379288 582761899 /nfs/dbraw/zinc/76/18/99/582761899.db2.gz SIDRRGHINJGTRX-XBXARRHUSA-N 1 2 190.246 1.717 20 0 ADADLO CC=C(C)C(=O)Nc1cc[nH+]cc1C 751379297 582762197 /nfs/dbraw/zinc/76/21/97/582762197.db2.gz SIDRRGHINJGTRX-YWEYNIOJSA-N 1 2 190.246 1.717 20 0 ADADLO C/C=C(/C)C(=O)N(C)Cc1[nH]cc[nH+]1 751379205 582762665 /nfs/dbraw/zinc/76/26/65/582762665.db2.gz QYCHDXQOUYPYNQ-YWEYNIOJSA-N 1 2 193.250 1.334 20 0 ADADLO C/C=C(\C)C(=O)N(C)Cc1[nH]cc[nH+]1 751379203 582762831 /nfs/dbraw/zinc/76/28/31/582762831.db2.gz QYCHDXQOUYPYNQ-XBXARRHUSA-N 1 2 193.250 1.334 20 0 ADADLO CC(C)=C(C)C(=O)NCc1[nH]cc[nH+]1 751379430 582762893 /nfs/dbraw/zinc/76/28/93/582762893.db2.gz PRLPTMWXJTXWBJ-UHFFFAOYSA-N 1 2 193.250 1.382 20 0 ADADLO CC=C(C)C(=O)Nc1cc[nH+]c(C)c1 751379850 582762997 /nfs/dbraw/zinc/76/29/97/582762997.db2.gz WFQRDOSHZJHDCR-XBXARRHUSA-N 1 2 190.246 1.717 20 0 ADADLO C/C=C(\C)C(=O)NCc1[nH+]ccn1C 751376174 582763027 /nfs/dbraw/zinc/76/30/27/582763027.db2.gz DNFQUSWMJRWWHG-XBXARRHUSA-N 1 2 193.250 1.003 20 0 ADADLO CC=C(C)C(=O)Nc1cc[nH+]c(C)c1 751379851 582763061 /nfs/dbraw/zinc/76/30/61/582763061.db2.gz WFQRDOSHZJHDCR-YWEYNIOJSA-N 1 2 190.246 1.717 20 0 ADADLO C/C=C(\C)C(=O)NCCc1[nH]cc[nH+]1 751379390 582763285 /nfs/dbraw/zinc/76/32/85/582763285.db2.gz HZHYITLPUVFHOL-FPYGCLRLSA-N 1 2 193.250 1.035 20 0 ADADLO C/C=C(/C)C(=O)NCCc1[nH]cc[nH+]1 751379389 582763349 /nfs/dbraw/zinc/76/33/49/582763349.db2.gz HZHYITLPUVFHOL-BAQGIRSFSA-N 1 2 193.250 1.035 20 0 ADADLO CCCCCC[N@H+](C)Cc1nnc[nH]1 751474341 582764677 /nfs/dbraw/zinc/76/46/77/582764677.db2.gz ABBVKHRKLXWRDG-UHFFFAOYSA-N 1 2 196.298 1.817 20 0 ADADLO CCCCCC[N@@H+](C)Cc1nnc[nH]1 751474341 582764679 /nfs/dbraw/zinc/76/46/79/582764679.db2.gz ABBVKHRKLXWRDG-UHFFFAOYSA-N 1 2 196.298 1.817 20 0 ADADLO CO[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 751966703 582766127 /nfs/dbraw/zinc/76/61/27/582766127.db2.gz AGJXVCMZCGHZHN-SECBINFHSA-N 1 2 193.250 1.010 20 0 ADADLO CCC(=O)CC[N@H+](C)Cc1ccon1 753723018 582774726 /nfs/dbraw/zinc/77/47/26/582774726.db2.gz MXCYUISXFNASIA-UHFFFAOYSA-N 1 2 196.250 1.476 20 0 ADADLO CCC(=O)CC[N@@H+](C)Cc1ccon1 753723018 582774729 /nfs/dbraw/zinc/77/47/29/582774729.db2.gz MXCYUISXFNASIA-UHFFFAOYSA-N 1 2 196.250 1.476 20 0 ADADLO C/C=C(/C)C(=O)NCc1[nH]c[nH+]c1C 754353662 582780471 /nfs/dbraw/zinc/78/04/71/582780471.db2.gz JZJNIRVQXVARDB-DAXSKMNVSA-N 1 2 193.250 1.301 20 0 ADADLO CC(C)=C(C)C(=O)NCc1c[nH+]c[nH]1 754291451 582780351 /nfs/dbraw/zinc/78/03/51/582780351.db2.gz BWBYYXNZJJZICO-UHFFFAOYSA-N 1 2 193.250 1.382 20 0 ADADLO CC(C)=C(C)C(=O)NCc1c[nH]c[nH+]1 754291451 582780353 /nfs/dbraw/zinc/78/03/53/582780353.db2.gz BWBYYXNZJJZICO-UHFFFAOYSA-N 1 2 193.250 1.382 20 0 ADADLO C/C=C(\C)C(=O)NCc1[nH]c[nH+]c1C 754353665 582780501 /nfs/dbraw/zinc/78/05/01/582780501.db2.gz JZJNIRVQXVARDB-QPJJXVBHSA-N 1 2 193.250 1.301 20 0 ADADLO CCC/C=C/C(=O)NCc1c[nH+]c[nH]1 754301305 582780948 /nfs/dbraw/zinc/78/09/48/582780948.db2.gz CWAGKZDVZSQNLK-SNAWJCMRSA-N 1 2 193.250 1.382 20 0 ADADLO CCCC=CC(=O)NCc1c[nH]c[nH+]1 754301305 582780949 /nfs/dbraw/zinc/78/09/49/582780949.db2.gz CWAGKZDVZSQNLK-SNAWJCMRSA-N 1 2 193.250 1.382 20 0 ADADLO CCC/C=C\C(=O)NCc1c[nH+]c[nH]1 754301302 582780915 /nfs/dbraw/zinc/78/09/15/582780915.db2.gz CWAGKZDVZSQNLK-PLNGDYQASA-N 1 2 193.250 1.382 20 0 ADADLO CCCC=CC(=O)NCc1c[nH]c[nH+]1 754301302 582780917 /nfs/dbraw/zinc/78/09/17/582780917.db2.gz CWAGKZDVZSQNLK-PLNGDYQASA-N 1 2 193.250 1.382 20 0 ADADLO O=C(C=C1CCC1)NCc1c[nH+]c[nH]1 755389355 582786384 /nfs/dbraw/zinc/78/63/84/582786384.db2.gz NAIQBIZUSIYNMS-UHFFFAOYSA-N 1 2 191.234 1.136 20 0 ADADLO O=C(C=C1CCC1)NCc1c[nH]c[nH+]1 755389355 582786386 /nfs/dbraw/zinc/78/63/86/582786386.db2.gz NAIQBIZUSIYNMS-UHFFFAOYSA-N 1 2 191.234 1.136 20 0 ADADLO O=C(C=C1CCC1)NCc1[nH]cc[nH+]1 755360396 582786751 /nfs/dbraw/zinc/78/67/51/582786751.db2.gz APDQTKVSNXXDNB-UHFFFAOYSA-N 1 2 191.234 1.136 20 0 ADADLO CC1=CC[N@H+](Cc2nonc2C)CC1 756636031 582793145 /nfs/dbraw/zinc/79/31/45/582793145.db2.gz OEPAMTKGUKUOSC-UHFFFAOYSA-N 1 2 193.250 1.530 20 0 ADADLO CC1=CC[N@@H+](Cc2nonc2C)CC1 756636031 582793146 /nfs/dbraw/zinc/79/31/46/582793146.db2.gz OEPAMTKGUKUOSC-UHFFFAOYSA-N 1 2 193.250 1.530 20 0 ADADLO O=C(NCc1[nH]cc[nH+]1)OCC1CC1 867013970 582795435 /nfs/dbraw/zinc/79/54/35/582795435.db2.gz ZAIDRZZELOLWAP-UHFFFAOYSA-N 1 2 195.222 1.046 20 0 ADADLO COc1cc(C)[nH+]c(COC(C)=O)c1 757670203 582797659 /nfs/dbraw/zinc/79/76/59/582797659.db2.gz OUYWVINJQZPHCM-UHFFFAOYSA-N 1 2 195.218 1.462 20 0 ADADLO FCC[N@@H+]1CCOc2ccccc2C1 759327036 582801948 /nfs/dbraw/zinc/80/19/48/582801948.db2.gz IHIXRSMMVIMIBC-UHFFFAOYSA-N 1 2 195.237 1.851 20 0 ADADLO FCC[N@H+]1CCOc2ccccc2C1 759327036 582801951 /nfs/dbraw/zinc/80/19/51/582801951.db2.gz IHIXRSMMVIMIBC-UHFFFAOYSA-N 1 2 195.237 1.851 20 0 ADADLO Oc1ccc2c(c1)C[N@@H+](CCF)CC2 759344414 582803168 /nfs/dbraw/zinc/80/31/68/582803168.db2.gz QHIDRKOHMSXSJM-UHFFFAOYSA-N 1 2 195.237 1.720 20 0 ADADLO Oc1ccc2c(c1)C[N@H+](CCF)CC2 759344414 582803172 /nfs/dbraw/zinc/80/31/72/582803172.db2.gz QHIDRKOHMSXSJM-UHFFFAOYSA-N 1 2 195.237 1.720 20 0 ADADLO Cc1nc(C)c(C)c(-n2cc[nH+]c2)n1 761873139 582813118 /nfs/dbraw/zinc/81/31/18/582813118.db2.gz JMMXAEYJVQBIIZ-UHFFFAOYSA-N 1 2 188.234 1.588 20 0 ADADLO Cc1nc(-n2ccnc2)c(C)c(C)[nH+]1 761873139 582813119 /nfs/dbraw/zinc/81/31/19/582813119.db2.gz JMMXAEYJVQBIIZ-UHFFFAOYSA-N 1 2 188.234 1.588 20 0 ADADLO C[C@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 763115208 582816621 /nfs/dbraw/zinc/81/66/21/582816621.db2.gz LCRWQGRTBAHNKI-DTWKUNHWSA-N 1 2 194.234 1.082 20 0 ADADLO C[C@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 763115211 582816759 /nfs/dbraw/zinc/81/67/59/582816759.db2.gz LCRWQGRTBAHNKI-IUCAKERBSA-N 1 2 194.234 1.082 20 0 ADADLO CC[C@H](C)C(=O)OCCn1cc[nH+]c1 763110890 582816841 /nfs/dbraw/zinc/81/68/41/582816841.db2.gz AKWVYVVALWJIBR-VIFPVBQESA-N 1 2 196.250 1.472 20 0 ADADLO CCCC(=O)OCCCn1cc[nH+]c1 763286736 582818187 /nfs/dbraw/zinc/81/81/87/582818187.db2.gz CQZMAVSRWSRCEC-UHFFFAOYSA-N 1 2 196.250 1.617 20 0 ADADLO C[C@@H]1C[C@@H]1C(=O)OCCn1cc[nH+]c1 763115205 582817486 /nfs/dbraw/zinc/81/74/86/582817486.db2.gz LCRWQGRTBAHNKI-BDAKNGLRSA-N 1 2 194.234 1.082 20 0 ADADLO CCCCC(=O)OCCn1cc[nH+]c1 763115197 582817509 /nfs/dbraw/zinc/81/75/09/582817509.db2.gz LBUBQNSFHGSTPD-UHFFFAOYSA-N 1 2 196.250 1.617 20 0 ADADLO CC(C)=CC(=O)OCCn1cc[nH+]c1 763110356 582817570 /nfs/dbraw/zinc/81/75/70/582817570.db2.gz VZGNTUKLXRVDFJ-UHFFFAOYSA-N 1 2 194.234 1.393 20 0 ADADLO O=C(OCCn1cc[nH+]c1)C1CCC1 763112291 582817579 /nfs/dbraw/zinc/81/75/79/582817579.db2.gz GHBNSFSXQCGYGM-UHFFFAOYSA-N 1 2 194.234 1.226 20 0 ADADLO CC[C@@H](C)C(=O)OCCn1cc[nH+]c1 763110888 582817698 /nfs/dbraw/zinc/81/76/98/582817698.db2.gz AKWVYVVALWJIBR-SECBINFHSA-N 1 2 196.250 1.472 20 0 ADADLO O=C(OCCCn1cc[nH+]c1)C1CC1 763287377 582818252 /nfs/dbraw/zinc/81/82/52/582818252.db2.gz MGQSZYWIZNXTGP-UHFFFAOYSA-N 1 2 194.234 1.226 20 0 ADADLO C[C@@H]1C[C@H]1C(=O)OCCn1cc[nH+]c1 763115215 582817812 /nfs/dbraw/zinc/81/78/12/582817812.db2.gz LCRWQGRTBAHNKI-RKDXNWHRSA-N 1 2 194.234 1.082 20 0 ADADLO CC(C)C(=O)OCCCn1cc[nH+]c1 763287386 582818516 /nfs/dbraw/zinc/81/85/16/582818516.db2.gz IUSYQQZNCUVWEV-UHFFFAOYSA-N 1 2 196.250 1.472 20 0 ADADLO COc1ccc(C[N@H+](C)CCF)cn1 764371787 582822476 /nfs/dbraw/zinc/82/24/76/582822476.db2.gz KPRNDPQBCCGVOH-UHFFFAOYSA-N 1 2 198.241 1.492 20 0 ADADLO COc1ccc(C[N@@H+](C)CCF)cn1 764371787 582822477 /nfs/dbraw/zinc/82/24/77/582822477.db2.gz KPRNDPQBCCGVOH-UHFFFAOYSA-N 1 2 198.241 1.492 20 0 ADADLO CON(Cc1[nH]cc[nH+]1)CC(C)(C)C 796477945 582924978 /nfs/dbraw/zinc/92/49/78/582924978.db2.gz UMGWPSLWSMRKIM-UHFFFAOYSA-N 1 2 197.282 1.819 20 0 ADADLO CC[N@H+](Cc1csnn1)C(C)C 768236870 582835271 /nfs/dbraw/zinc/83/52/71/582835271.db2.gz KSHHMKRRFPQEJJ-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO CC[N@@H+](Cc1csnn1)C(C)C 768236870 582835275 /nfs/dbraw/zinc/83/52/75/582835275.db2.gz KSHHMKRRFPQEJJ-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO CN(C)C(=O)c1cccc2[nH+]ccn12 770645966 582841963 /nfs/dbraw/zinc/84/19/63/582841963.db2.gz WDKUWRUFTDVEKC-UHFFFAOYSA-N 1 2 189.218 1.036 20 0 ADADLO CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 771499152 582846048 /nfs/dbraw/zinc/84/60/48/582846048.db2.gz MRZINATZRDOALF-QMMMGPOBSA-N 1 2 193.250 1.483 20 0 ADADLO CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 771499150 582846158 /nfs/dbraw/zinc/84/61/58/582846158.db2.gz MRZINATZRDOALF-MRVPVSSYSA-N 1 2 193.250 1.483 20 0 ADADLO CCCO[NH+]=C(N)Cc1cccnc1 771673278 582846790 /nfs/dbraw/zinc/84/67/90/582846790.db2.gz CJJXQCRYCCAGLH-UHFFFAOYSA-N 1 2 193.250 1.533 20 0 ADADLO O=C(CC1CC1)OCCn1cc[nH+]c1 771903921 582847803 /nfs/dbraw/zinc/84/78/03/582847803.db2.gz IXXAXCIEZAYDKJ-UHFFFAOYSA-N 1 2 194.234 1.226 20 0 ADADLO CC(C)CC(=O)OCCn1cc[nH+]c1 771858431 582848196 /nfs/dbraw/zinc/84/81/96/582848196.db2.gz OBQBJCQTIBXGAT-UHFFFAOYSA-N 1 2 196.250 1.472 20 0 ADADLO CC1(C(=O)OCCn2cc[nH+]c2)CC1 772005816 582848776 /nfs/dbraw/zinc/84/87/76/582848776.db2.gz VXIPCJWRDZUILJ-UHFFFAOYSA-N 1 2 194.234 1.226 20 0 ADADLO OCCCCCCOCc1[nH]cc[nH+]1 776862711 582867345 /nfs/dbraw/zinc/86/73/45/582867345.db2.gz JJBCOCODGJWRID-UHFFFAOYSA-N 1 2 198.266 1.479 20 0 ADADLO Cc1nonc1C[N@H+]1CC=CCC1 778969164 582871647 /nfs/dbraw/zinc/87/16/47/582871647.db2.gz INLYZICSGZOSPX-UHFFFAOYSA-N 1 2 179.223 1.140 20 0 ADADLO Cc1nonc1C[N@@H+]1CC=CCC1 778969164 582871649 /nfs/dbraw/zinc/87/16/49/582871649.db2.gz INLYZICSGZOSPX-UHFFFAOYSA-N 1 2 179.223 1.140 20 0 ADADLO CC(C)COC(=O)C[N@H+]1CC=CCC1 778973499 582871934 /nfs/dbraw/zinc/87/19/34/582871934.db2.gz PRTATPDKRFIPPG-UHFFFAOYSA-N 1 2 197.278 1.448 20 0 ADADLO CC(C)COC(=O)C[N@@H+]1CC=CCC1 778973499 582871935 /nfs/dbraw/zinc/87/19/35/582871935.db2.gz PRTATPDKRFIPPG-UHFFFAOYSA-N 1 2 197.278 1.448 20 0 ADADLO Cc1ccnc(C[N@H+]2CC=CCC2)n1 778975844 582872268 /nfs/dbraw/zinc/87/22/68/582872268.db2.gz WBBSPYAFAPFMEB-UHFFFAOYSA-N 1 2 189.262 1.547 20 0 ADADLO Cc1ccnc(C[N@@H+]2CC=CCC2)n1 778975844 582872269 /nfs/dbraw/zinc/87/22/69/582872269.db2.gz WBBSPYAFAPFMEB-UHFFFAOYSA-N 1 2 189.262 1.547 20 0 ADADLO Cc1[nH+]cccc1N[C@@H](C)CCO 779417669 582873321 /nfs/dbraw/zinc/87/33/21/582873321.db2.gz APDNEFHDCPPJIO-QMMMGPOBSA-N 1 2 180.251 1.573 20 0 ADADLO Cc1ccc(N[C@H](C)CCO)c(C)[nH+]1 779422022 582873335 /nfs/dbraw/zinc/87/33/35/582873335.db2.gz SIUXDOJUICXUKY-SECBINFHSA-N 1 2 194.278 1.881 20 0 ADADLO Cc1c[nH+]cc(N[C@@H](C)CCO)c1 779420582 582873368 /nfs/dbraw/zinc/87/33/68/582873368.db2.gz MRBMOIODYBJPEQ-VIFPVBQESA-N 1 2 180.251 1.573 20 0 ADADLO Cc1ccc(N[C@@H](C)CCO)c(C)[nH+]1 779422023 582873424 /nfs/dbraw/zinc/87/34/24/582873424.db2.gz SIUXDOJUICXUKY-VIFPVBQESA-N 1 2 194.278 1.881 20 0 ADADLO Cc1ccc(N[C@@H](C)CCO)c[nH+]1 779422085 582873720 /nfs/dbraw/zinc/87/37/20/582873720.db2.gz UDZHSIUAICKBJL-VIFPVBQESA-N 1 2 180.251 1.573 20 0 ADADLO Cc1[nH+]cccc1N[C@H](C)CCO 779417643 582873724 /nfs/dbraw/zinc/87/37/24/582873724.db2.gz APDNEFHDCPPJIO-MRVPVSSYSA-N 1 2 180.251 1.573 20 0 ADADLO Cc1ccc(N[C@H](C)CCO)c[nH+]1 779422084 582873726 /nfs/dbraw/zinc/87/37/26/582873726.db2.gz UDZHSIUAICKBJL-SECBINFHSA-N 1 2 180.251 1.573 20 0 ADADLO Cc1c[nH+]cc(N[C@H](C)CCO)c1 779420581 582873835 /nfs/dbraw/zinc/87/38/35/582873835.db2.gz MRBMOIODYBJPEQ-SECBINFHSA-N 1 2 180.251 1.573 20 0 ADADLO CO[NH+]=C(N)COc1cccc(F)c1 780135629 582876668 /nfs/dbraw/zinc/87/66/68/582876668.db2.gz QXJXSLJXTXYTJQ-UHFFFAOYSA-N 1 2 198.197 1.333 20 0 ADADLO CO[NH+]=C(N)COc1ccccc1F 780136287 582876751 /nfs/dbraw/zinc/87/67/51/582876751.db2.gz WWVRMTTZKJWKLL-UHFFFAOYSA-N 1 2 198.197 1.333 20 0 ADADLO CCON(C)c1[nH+]cnc2[nH]ccc12 780663005 582878827 /nfs/dbraw/zinc/87/88/27/582878827.db2.gz XCYXZHSJVKPRLA-UHFFFAOYSA-N 1 2 192.222 1.346 20 0 ADADLO C[C@@H](c1nc(C2CCC2)no1)[NH+](C)C 785580186 582893306 /nfs/dbraw/zinc/89/33/06/582893306.db2.gz KVOAHGBJSBCYRB-ZETCQYMHSA-N 1 2 195.266 1.960 20 0 ADADLO NC(=[NH+]OC1CCCC1)[C@@H]1CCCO1 789605013 582905456 /nfs/dbraw/zinc/90/54/56/582905456.db2.gz CRABPIMOGINHRJ-VIFPVBQESA-N 1 2 198.266 1.606 20 0 ADADLO NC(=[NH+]OC1CCCC1)[C@H]1CCCO1 789605012 582905869 /nfs/dbraw/zinc/90/58/69/582905869.db2.gz CRABPIMOGINHRJ-SECBINFHSA-N 1 2 198.266 1.606 20 0 ADADLO C/C=C(\CC)C(=O)NCc1[nH]cc[nH+]1 789761339 582906129 /nfs/dbraw/zinc/90/61/29/582906129.db2.gz GQJJWRZNNPQKRR-FPYGCLRLSA-N 1 2 193.250 1.382 20 0 ADADLO CC=C(CC)C(=O)NCc1[nH]cc[nH+]1 789761339 582906133 /nfs/dbraw/zinc/90/61/33/582906133.db2.gz GQJJWRZNNPQKRR-FPYGCLRLSA-N 1 2 193.250 1.382 20 0 ADADLO C/C=C(\CC)C(=O)NCc1c[nH+]c[nH]1 789771812 582906327 /nfs/dbraw/zinc/90/63/27/582906327.db2.gz LCOQGTNRKCCTRI-FPYGCLRLSA-N 1 2 193.250 1.382 20 0 ADADLO CCCC(=O)OCCc1c[nH+]cn1C 789777822 582906300 /nfs/dbraw/zinc/90/63/00/582906300.db2.gz WXWRADAWRKSHEY-UHFFFAOYSA-N 1 2 196.250 1.306 20 0 ADADLO CC=C(CC)C(=O)NCc1c[nH]c[nH+]1 789771812 582906330 /nfs/dbraw/zinc/90/63/30/582906330.db2.gz LCOQGTNRKCCTRI-FPYGCLRLSA-N 1 2 193.250 1.382 20 0 ADADLO C/C=C(/CC)C(=O)NCc1[nH]cc[nH+]1 789761338 582906650 /nfs/dbraw/zinc/90/66/50/582906650.db2.gz GQJJWRZNNPQKRR-BAQGIRSFSA-N 1 2 193.250 1.382 20 0 ADADLO CC=C(CC)C(=O)NCc1[nH]cc[nH+]1 789761338 582906653 /nfs/dbraw/zinc/90/66/53/582906653.db2.gz GQJJWRZNNPQKRR-BAQGIRSFSA-N 1 2 193.250 1.382 20 0 ADADLO C/C=C(/CC)C(=O)NCc1c[nH+]c[nH]1 789771811 582906693 /nfs/dbraw/zinc/90/66/93/582906693.db2.gz LCOQGTNRKCCTRI-BAQGIRSFSA-N 1 2 193.250 1.382 20 0 ADADLO CC=C(CC)C(=O)NCc1c[nH]c[nH+]1 789771811 582906695 /nfs/dbraw/zinc/90/66/95/582906695.db2.gz LCOQGTNRKCCTRI-BAQGIRSFSA-N 1 2 193.250 1.382 20 0 ADADLO CON(Cc1c[nH+]c[nH]1)CC(C)(C)C 796472685 582925614 /nfs/dbraw/zinc/92/56/14/582925614.db2.gz ZEQFSJZGDBXTLU-UHFFFAOYSA-N 1 2 197.282 1.819 20 0 ADADLO CON(Cc1c[nH]c[nH+]1)CC(C)(C)C 796472685 582925617 /nfs/dbraw/zinc/92/56/17/582925617.db2.gz ZEQFSJZGDBXTLU-UHFFFAOYSA-N 1 2 197.282 1.819 20 0 ADADLO CC(C)=CCO[NH+]=C(N)[C@H]1CCCO1 808267243 582957939 /nfs/dbraw/zinc/95/79/39/582957939.db2.gz UMBVNCVWSGRESF-SECBINFHSA-N 1 2 198.266 1.630 20 0 ADADLO CC(C)=CCO[NH+]=C(N)[C@@H]1CCCO1 808267244 582958145 /nfs/dbraw/zinc/95/81/45/582958145.db2.gz UMBVNCVWSGRESF-VIFPVBQESA-N 1 2 198.266 1.630 20 0 ADADLO COC[C@@H](C)[N@@H+]1Cc2ccncc2C1 809561960 582960863 /nfs/dbraw/zinc/96/08/63/582960863.db2.gz AQVDOQBAFXRGPU-SECBINFHSA-N 1 2 192.262 1.432 20 0 ADADLO COC[C@@H](C)[N@H+]1Cc2ccncc2C1 809561960 582960864 /nfs/dbraw/zinc/96/08/64/582960864.db2.gz AQVDOQBAFXRGPU-SECBINFHSA-N 1 2 192.262 1.432 20 0 ADADLO CCOCC[N@@H+]1Cc2ccncc2C1 809562753 582960866 /nfs/dbraw/zinc/96/08/66/582960866.db2.gz JLHUIIJKEJFLGT-UHFFFAOYSA-N 1 2 192.262 1.434 20 0 ADADLO CCOCC[N@H+]1Cc2ccncc2C1 809562753 582960867 /nfs/dbraw/zinc/96/08/67/582960867.db2.gz JLHUIIJKEJFLGT-UHFFFAOYSA-N 1 2 192.262 1.434 20 0 ADADLO COC[C@H](C)[N@@H+]1Cc2ccncc2C1 809561961 582960937 /nfs/dbraw/zinc/96/09/37/582960937.db2.gz AQVDOQBAFXRGPU-VIFPVBQESA-N 1 2 192.262 1.432 20 0 ADADLO COC[C@H](C)[N@H+]1Cc2ccncc2C1 809561961 582960939 /nfs/dbraw/zinc/96/09/39/582960939.db2.gz AQVDOQBAFXRGPU-VIFPVBQESA-N 1 2 192.262 1.432 20 0 ADADLO CC(C)CC(=O)NCc1c[nH+]cn1C 810756487 582965679 /nfs/dbraw/zinc/96/56/79/582965679.db2.gz LGFRDTNFWILGQC-UHFFFAOYSA-N 1 2 195.266 1.082 20 0 ADADLO CCCCC(=O)NCc1c[nH+]cn1C 811588575 582966528 /nfs/dbraw/zinc/96/65/28/582966528.db2.gz OACZMJLIIURGOQ-UHFFFAOYSA-N 1 2 195.266 1.227 20 0 ADADLO CC[C@H](C)C(=O)NCc1c[nH+]cn1C 811589128 582966927 /nfs/dbraw/zinc/96/69/27/582966927.db2.gz MACVPHPHJOBKTD-QMMMGPOBSA-N 1 2 195.266 1.082 20 0 ADADLO CC[C@@H](C)C(=O)NCc1c[nH+]cn1C 811589127 582967785 /nfs/dbraw/zinc/96/77/85/582967785.db2.gz MACVPHPHJOBKTD-MRVPVSSYSA-N 1 2 195.266 1.082 20 0 ADADLO C/C=C(\C)C(=O)NCc1c[nH+]cn1C 811924941 582968455 /nfs/dbraw/zinc/96/84/55/582968455.db2.gz SFUMWHFVNGDKRR-XBXARRHUSA-N 1 2 193.250 1.003 20 0 ADADLO C/C=C(/C)C(=O)NCc1c[nH+]cn1C 811924942 582968567 /nfs/dbraw/zinc/96/85/67/582968567.db2.gz SFUMWHFVNGDKRR-YWEYNIOJSA-N 1 2 193.250 1.003 20 0 ADADLO c1cc(OCCC2OCCO2)cc[nH+]1 814265434 582977008 /nfs/dbraw/zinc/97/70/08/582977008.db2.gz KYKQCQKVWDQYAS-UHFFFAOYSA-N 1 2 195.218 1.223 20 0 ADADLO Cc1n[nH]cc1C[N@H+](C)CCF 816639858 582987711 /nfs/dbraw/zinc/98/77/11/582987711.db2.gz JCDMFMVNMMXAMQ-UHFFFAOYSA-N 1 2 171.219 1.119 20 0 ADADLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 816954622 582990851 /nfs/dbraw/zinc/99/08/51/582990851.db2.gz GBHXAFMWKHDMGI-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO Cn1ncc(C[N@H+](C)C2CC2)c1Cl 816487818 582985798 /nfs/dbraw/zinc/98/57/98/582985798.db2.gz YWMIFMXMTMISDQ-UHFFFAOYSA-N 1 2 199.685 1.668 20 0 ADADLO Cn1ncc(C[N@@H+](C)C2CC2)c1Cl 816487818 582985800 /nfs/dbraw/zinc/98/58/00/582985800.db2.gz YWMIFMXMTMISDQ-UHFFFAOYSA-N 1 2 199.685 1.668 20 0 ADADLO C[N@H+](CCF)Cc1ccccn1 816639443 582986688 /nfs/dbraw/zinc/98/66/88/582986688.db2.gz RTOBMYWUVBSNKL-UHFFFAOYSA-N 1 2 168.215 1.483 20 0 ADADLO C[N@@H+](CCF)Cc1ccccn1 816639443 582986689 /nfs/dbraw/zinc/98/66/89/582986689.db2.gz RTOBMYWUVBSNKL-UHFFFAOYSA-N 1 2 168.215 1.483 20 0 ADADLO Cc1ccc(C[N@H+](C)CCF)nc1 816639938 582987543 /nfs/dbraw/zinc/98/75/43/582987543.db2.gz MCGYCPSARVOWOB-UHFFFAOYSA-N 1 2 182.242 1.791 20 0 ADADLO Cc1ccc(C[N@@H+](C)CCF)nc1 816639938 582987544 /nfs/dbraw/zinc/98/75/44/582987544.db2.gz MCGYCPSARVOWOB-UHFFFAOYSA-N 1 2 182.242 1.791 20 0 ADADLO Cc1n[nH]cc1C[N@@H+](C)CCF 816639858 582987715 /nfs/dbraw/zinc/98/77/15/582987715.db2.gz JCDMFMVNMMXAMQ-UHFFFAOYSA-N 1 2 171.219 1.119 20 0 ADADLO CC(C)CCNC(=O)Cc1[nH]cc[nH+]1 816817083 582989815 /nfs/dbraw/zinc/98/98/15/582989815.db2.gz SBQCMWBMWRJNRF-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO CCC(CC)NC(=O)Cc1[nH]cc[nH+]1 816820467 582989876 /nfs/dbraw/zinc/98/98/76/582989876.db2.gz NWNOPKNUCUCABS-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CCCCCNC(=O)Cc1[nH]cc[nH+]1 816808564 582990083 /nfs/dbraw/zinc/99/00/83/582990083.db2.gz RNTNKRYDGMNOPP-UHFFFAOYSA-N 1 2 195.266 1.259 20 0 ADADLO CCCCN(C)C(=O)Cc1[nH]cc[nH+]1 816831344 582990219 /nfs/dbraw/zinc/99/02/19/582990219.db2.gz OUYMNWKTWKFJRB-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO O=C(Cc1[nH]cc[nH+]1)NC1CCCC1 816820464 582990249 /nfs/dbraw/zinc/99/02/49/582990249.db2.gz NNXXCDUMTCTLRS-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO CC(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 816909529 582990546 /nfs/dbraw/zinc/99/05/46/582990546.db2.gz WQDKXJBPCHXWFD-UHFFFAOYSA-N 1 2 195.266 1.067 20 0 ADADLO C/C=C(/C)C(=O)NC1=[NH+]C[C@H](C)S1 819772627 583015001 /nfs/dbraw/zinc/01/50/01/583015001.db2.gz QTFJSYLOLIKZHP-NGAMADIESA-N 1 2 198.291 1.560 20 0 ADADLO C/C=C(\C)C(=O)NC1=[NH+]C[C@H](C)S1 819772625 583015019 /nfs/dbraw/zinc/01/50/19/583015019.db2.gz QTFJSYLOLIKZHP-KNIZRNDPSA-N 1 2 198.291 1.560 20 0 ADADLO CC(C)C(=O)NC1=[NH+]C[C@H](C)S1 819768485 583015123 /nfs/dbraw/zinc/01/51/23/583015123.db2.gz MGRUHRXMFKSALR-LURJTMIESA-N 1 2 186.280 1.250 20 0 ADADLO C/C=C(/C)C(=O)NC1=[NH+]C[C@@H](C)S1 819772623 583015255 /nfs/dbraw/zinc/01/52/55/583015255.db2.gz QTFJSYLOLIKZHP-FXXDRWHHSA-N 1 2 198.291 1.560 20 0 ADADLO CCCC(=O)NC1=[NH+]C[C@H](C)S1 819759957 583015271 /nfs/dbraw/zinc/01/52/71/583015271.db2.gz LFBFGJOBIFXSTP-LURJTMIESA-N 1 2 186.280 1.394 20 0 ADADLO C/C=C(\C)C(=O)NC1=[NH+]C[C@@H](C)S1 819772628 583015280 /nfs/dbraw/zinc/01/52/80/583015280.db2.gz QTFJSYLOLIKZHP-PTYLAXBQSA-N 1 2 198.291 1.560 20 0 ADADLO CCCC(=O)NC1=[NH+]C[C@@H](C)S1 819759960 583015307 /nfs/dbraw/zinc/01/53/07/583015307.db2.gz LFBFGJOBIFXSTP-ZCFIWIBFSA-N 1 2 186.280 1.394 20 0 ADADLO CC(C)=CC(=O)NC1=[NH+]C[C@H](C)S1 819761371 583015331 /nfs/dbraw/zinc/01/53/31/583015331.db2.gz ZBLVGGDYJHJEPV-ZETCQYMHSA-N 1 2 198.291 1.560 20 0 ADADLO CC(C)C(=O)NC1=[NH+]C[C@@H](C)S1 819768486 583015408 /nfs/dbraw/zinc/01/54/08/583015408.db2.gz MGRUHRXMFKSALR-ZCFIWIBFSA-N 1 2 186.280 1.250 20 0 ADADLO CC(C)=CC(=O)NC1=[NH+]C[C@@H](C)S1 819761370 583015552 /nfs/dbraw/zinc/01/55/52/583015552.db2.gz ZBLVGGDYJHJEPV-SSDOTTSWSA-N 1 2 198.291 1.560 20 0 ADADLO C=C=CCNc1cc[nH+]c(C)n1 820586891 583022455 /nfs/dbraw/zinc/02/24/55/583022455.db2.gz WAOBGGHKBWXONV-UHFFFAOYSA-N 1 2 161.208 1.538 20 0 ADADLO CCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 820526448 583022675 /nfs/dbraw/zinc/02/26/75/583022675.db2.gz GDQZMFUODHWUSM-MRVPVSSYSA-N 1 2 195.266 1.257 20 0 ADADLO CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 820526451 583022660 /nfs/dbraw/zinc/02/26/60/583022660.db2.gz GDQZMFUODHWUSM-QMMMGPOBSA-N 1 2 195.266 1.257 20 0 ADADLO CCC(C)(C)NC(=O)Cc1[nH]cc[nH+]1 820698520 583024463 /nfs/dbraw/zinc/02/44/63/583024463.db2.gz BXWKFVQRJOKYET-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CCCN(CC)C(=O)Cc1[nH]cc[nH+]1 821336229 583028284 /nfs/dbraw/zinc/02/82/84/583028284.db2.gz ULJNWQMOLFWCID-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO O=C1CC[C@H](C[N@H+]2CCC=C(F)C2)O1 821403204 583029815 /nfs/dbraw/zinc/02/98/15/583029815.db2.gz ZTBGYLHUHQRGMS-SECBINFHSA-N 1 2 199.225 1.251 20 0 ADADLO O=C1CC[C@H](C[N@@H+]2CCC=C(F)C2)O1 821403204 583029819 /nfs/dbraw/zinc/02/98/19/583029819.db2.gz ZTBGYLHUHQRGMS-SECBINFHSA-N 1 2 199.225 1.251 20 0 ADADLO O=C1CC[C@@H](C[N@H+]2CCC=C(F)C2)O1 821403205 583030411 /nfs/dbraw/zinc/03/04/11/583030411.db2.gz ZTBGYLHUHQRGMS-VIFPVBQESA-N 1 2 199.225 1.251 20 0 ADADLO O=C1CC[C@@H](C[N@@H+]2CCC=C(F)C2)O1 821403205 583030412 /nfs/dbraw/zinc/03/04/12/583030412.db2.gz ZTBGYLHUHQRGMS-VIFPVBQESA-N 1 2 199.225 1.251 20 0 ADADLO CC/C(C)=C\C(=O)NC1=[NH+]CCS1 822234378 583034605 /nfs/dbraw/zinc/03/46/05/583034605.db2.gz QPQZECVQDBVVOA-SREVYHEPSA-N 1 2 198.291 1.562 20 0 ADADLO CC(=O)OCc1[nH]c[nH+]c1C(C)(C)C 822323835 583034663 /nfs/dbraw/zinc/03/46/63/583034663.db2.gz PSRSJYXFNOKFNP-UHFFFAOYSA-N 1 2 196.250 1.770 20 0 ADADLO CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C 822926551 583038169 /nfs/dbraw/zinc/03/81/69/583038169.db2.gz KRNJUMMQSLIDQH-UHFFFAOYSA-N 1 2 195.266 1.209 20 0 ADADLO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCF 823179590 583039691 /nfs/dbraw/zinc/03/96/91/583039691.db2.gz QTUZEVOYUBVWKQ-JTQLQIEISA-N 1 2 188.290 1.228 20 0 ADADLO CC(C)[C@@H]1CN(C)CC[N@H+]1CCF 823179590 583039693 /nfs/dbraw/zinc/03/96/93/583039693.db2.gz QTUZEVOYUBVWKQ-JTQLQIEISA-N 1 2 188.290 1.228 20 0 ADADLO CC(C)[C@H]1CN(C)CC[N@@H+]1CCF 823179591 583039761 /nfs/dbraw/zinc/03/97/61/583039761.db2.gz QTUZEVOYUBVWKQ-SNVBAGLBSA-N 1 2 188.290 1.228 20 0 ADADLO CC(C)[C@H]1CN(C)CC[N@H+]1CCF 823179591 583039763 /nfs/dbraw/zinc/03/97/63/583039763.db2.gz QTUZEVOYUBVWKQ-SNVBAGLBSA-N 1 2 188.290 1.228 20 0 ADADLO CCn1nc(C)c(C[N@H+](C)C2CC2)n1 823404154 583040587 /nfs/dbraw/zinc/04/05/87/583040587.db2.gz MTNLYIHMQJFVAK-UHFFFAOYSA-N 1 2 194.282 1.201 20 0 ADADLO CCn1nc(C)c(C[N@@H+](C)C2CC2)n1 823404154 583040588 /nfs/dbraw/zinc/04/05/88/583040588.db2.gz MTNLYIHMQJFVAK-UHFFFAOYSA-N 1 2 194.282 1.201 20 0 ADADLO 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CC[N@H+](Cc1cnsn1)C(C)C 846777278 583160178 /nfs/dbraw/zinc/16/01/78/583160178.db2.gz HQJMHTXTZACQJU-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO CC[N@@H+](Cc1cnsn1)C(C)C 846777278 583160179 /nfs/dbraw/zinc/16/01/79/583160179.db2.gz HQJMHTXTZACQJU-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO C[C@H]1CC[N@H+](Cc2cnsn2)[C@H]1C 846811620 583160183 /nfs/dbraw/zinc/16/01/83/583160183.db2.gz MEJBGKGKMDUVEO-YUMQZZPRSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2cnsn2)[C@H]1C 846811620 583160184 /nfs/dbraw/zinc/16/01/84/583160184.db2.gz MEJBGKGKMDUVEO-YUMQZZPRSA-N 1 2 197.307 1.768 20 0 ADADLO CC[C@@H](C)[N@H+](C)Cc1cnsn1 846823292 583160186 /nfs/dbraw/zinc/16/01/86/583160186.db2.gz VNLCHUDWRXAMDK-SSDOTTSWSA-N 1 2 185.296 1.768 20 0 ADADLO CC[C@@H](C)[N@@H+](C)Cc1cnsn1 846823292 583160187 /nfs/dbraw/zinc/16/01/87/583160187.db2.gz VNLCHUDWRXAMDK-SSDOTTSWSA-N 1 2 185.296 1.768 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@H+]1Cc1cnsn1 846806517 583160189 /nfs/dbraw/zinc/16/01/89/583160189.db2.gz NLUBDPITILLHNC-SFYZADRCSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@@H+]1Cc1cnsn1 846806517 583160190 /nfs/dbraw/zinc/16/01/90/583160190.db2.gz NLUBDPITILLHNC-SFYZADRCSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1CCCC[N@@H+]1Cc1cnsn1 846769117 583160192 /nfs/dbraw/zinc/16/01/92/583160192.db2.gz WVYLDYFHQVGGKW-QMMMGPOBSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@H]1CCCC[N@H+]1Cc1cnsn1 846769117 583160193 /nfs/dbraw/zinc/16/01/93/583160193.db2.gz WVYLDYFHQVGGKW-QMMMGPOBSA-N 1 2 197.307 1.913 20 0 ADADLO CC[N@H+](Cc1cnsn1)C1CC1 846770209 583160195 /nfs/dbraw/zinc/16/01/95/583160195.db2.gz TUKVUGLDUQPDHN-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO CC[N@@H+](Cc1cnsn1)C1CC1 846770209 583160196 /nfs/dbraw/zinc/16/01/96/583160196.db2.gz TUKVUGLDUQPDHN-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO CCC[N@H+](Cc1cnsn1)C1CC1 846798057 583160210 /nfs/dbraw/zinc/16/02/10/583160210.db2.gz HGNOXIBXCBJLLF-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO CCC[N@@H+](Cc1cnsn1)C1CC1 846798057 583160212 /nfs/dbraw/zinc/16/02/12/583160212.db2.gz HGNOXIBXCBJLLF-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@H](C1CC1)[N@H+](C)Cc1cnsn1 846771027 583160223 /nfs/dbraw/zinc/16/02/23/583160223.db2.gz NYIUXQLTBVTBRE-SSDOTTSWSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H](C1CC1)[N@@H+](C)Cc1cnsn1 846771027 583160225 /nfs/dbraw/zinc/16/02/25/583160225.db2.gz NYIUXQLTBVTBRE-SSDOTTSWSA-N 1 2 197.307 1.768 20 0 ADADLO CC[C@H](C)[N@H+](C)Cc1cnsn1 846823293 583160231 /nfs/dbraw/zinc/16/02/31/583160231.db2.gz VNLCHUDWRXAMDK-ZETCQYMHSA-N 1 2 185.296 1.768 20 0 ADADLO CC[C@H](C)[N@@H+](C)Cc1cnsn1 846823293 583160232 /nfs/dbraw/zinc/16/02/32/583160232.db2.gz VNLCHUDWRXAMDK-ZETCQYMHSA-N 1 2 185.296 1.768 20 0 ADADLO C[C@H]1CC[N@H+](Cc2cnsn2)C1 846790327 583160236 /nfs/dbraw/zinc/16/02/36/583160236.db2.gz FKEILZHCOKPDGM-ZETCQYMHSA-N 1 2 183.280 1.380 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2cnsn2)C1 846790327 583160238 /nfs/dbraw/zinc/16/02/38/583160238.db2.gz FKEILZHCOKPDGM-ZETCQYMHSA-N 1 2 183.280 1.380 20 0 ADADLO C[C@@H]1CCC[N@@H+]1Cc1cnsn1 846810597 583160251 /nfs/dbraw/zinc/16/02/51/583160251.db2.gz XPQGXOCZJUSTIY-SSDOTTSWSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@@H]1CCC[N@H+]1Cc1cnsn1 846810597 583160253 /nfs/dbraw/zinc/16/02/53/583160253.db2.gz XPQGXOCZJUSTIY-SSDOTTSWSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@H]1[C@H](C)CC[N@@H+]1Cc1cnsn1 846811619 583160259 /nfs/dbraw/zinc/16/02/59/583160259.db2.gz MEJBGKGKMDUVEO-SFYZADRCSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1[C@H](C)CC[N@H+]1Cc1cnsn1 846811619 583160261 /nfs/dbraw/zinc/16/02/61/583160261.db2.gz MEJBGKGKMDUVEO-SFYZADRCSA-N 1 2 197.307 1.768 20 0 ADADLO CC[C@@H]1CCC[N@@H+]1Cc1cnsn1 846796629 583160267 /nfs/dbraw/zinc/16/02/67/583160267.db2.gz KYKBVGHNPWDUOA-SECBINFHSA-N 1 2 197.307 1.913 20 0 ADADLO CC[C@@H]1CCC[N@H+]1Cc1cnsn1 846796629 583160270 /nfs/dbraw/zinc/16/02/70/583160270.db2.gz KYKBVGHNPWDUOA-SECBINFHSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@H]1C[C@H](C)[N@H+](Cc2cnsn2)C1 846806518 583160284 /nfs/dbraw/zinc/16/02/84/583160284.db2.gz NLUBDPITILLHNC-YUMQZZPRSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1C[C@H](C)[N@@H+](Cc2cnsn2)C1 846806518 583160287 /nfs/dbraw/zinc/16/02/87/583160287.db2.gz NLUBDPITILLHNC-YUMQZZPRSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1CC[C@H](C)[NH+]1Cc1cnsn1 846815633 583160542 /nfs/dbraw/zinc/16/05/42/583160542.db2.gz QEZVGHLYMIZOJX-YUMQZZPRSA-N 1 2 197.307 1.911 20 0 ADADLO CCC[N@H+](CC)Cc1cnsn1 846780694 583160297 /nfs/dbraw/zinc/16/02/97/583160297.db2.gz DCUITLULZBLMPM-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO CCC[N@@H+](CC)Cc1cnsn1 846780694 583160299 /nfs/dbraw/zinc/16/02/99/583160299.db2.gz DCUITLULZBLMPM-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO C[C@@H]1CC[N@H+](Cc2cnsn2)C1 846790325 583160303 /nfs/dbraw/zinc/16/03/03/583160303.db2.gz FKEILZHCOKPDGM-SSDOTTSWSA-N 1 2 183.280 1.380 20 0 ADADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)C1 846790325 583160307 /nfs/dbraw/zinc/16/03/07/583160307.db2.gz FKEILZHCOKPDGM-SSDOTTSWSA-N 1 2 183.280 1.380 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2cnsn2)C1 846768525 583160332 /nfs/dbraw/zinc/16/03/32/583160332.db2.gz MTTGWZCLQPLNBI-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 846768525 583160336 /nfs/dbraw/zinc/16/03/36/583160336.db2.gz MTTGWZCLQPLNBI-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO CC[N@@H+](Cc1cnsn1)CC1CC1 846804365 583160343 /nfs/dbraw/zinc/16/03/43/583160343.db2.gz KBMXUTHDANTCEE-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC[N@H+](Cc1cnsn1)CC1CC1 846804365 583160347 /nfs/dbraw/zinc/16/03/47/583160347.db2.gz KBMXUTHDANTCEE-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC1(C)CC[N@H+](Cc2cnsn2)C1 846809624 583160354 /nfs/dbraw/zinc/16/03/54/583160354.db2.gz QTGSOPKBBNTMTP-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC1(C)CC[N@@H+](Cc2cnsn2)C1 846809624 583160359 /nfs/dbraw/zinc/16/03/59/583160359.db2.gz QTGSOPKBBNTMTP-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC[C@H]1CCC[N@@H+]1Cc1cnsn1 846796631 583160369 /nfs/dbraw/zinc/16/03/69/583160369.db2.gz KYKBVGHNPWDUOA-VIFPVBQESA-N 1 2 197.307 1.913 20 0 ADADLO CC[C@H]1CCC[N@H+]1Cc1cnsn1 846796631 583160373 /nfs/dbraw/zinc/16/03/73/583160373.db2.gz KYKBVGHNPWDUOA-VIFPVBQESA-N 1 2 197.307 1.913 20 0 ADADLO C[C@H]1C[C@@H](C)[N@H+](Cc2cnsn2)C1 846806516 583160419 /nfs/dbraw/zinc/16/04/19/583160419.db2.gz NLUBDPITILLHNC-JGVFFNPUSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1C[C@@H](C)[N@@H+](Cc2cnsn2)C1 846806516 583160421 /nfs/dbraw/zinc/16/04/21/583160421.db2.gz NLUBDPITILLHNC-JGVFFNPUSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2cnsn2)C1 846768526 583160457 /nfs/dbraw/zinc/16/04/57/583160457.db2.gz MTTGWZCLQPLNBI-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2cnsn2)C1 846768526 583160459 /nfs/dbraw/zinc/16/04/59/583160459.db2.gz MTTGWZCLQPLNBI-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cnsn2)C[C@@H]1C 846810653 583160463 /nfs/dbraw/zinc/16/04/63/583160463.db2.gz ZHNRYSZENFDAJK-OCAPTIKFSA-N 1 2 197.307 1.626 20 0 ADADLO C[C@@H]1C[N@H+](Cc2cnsn2)C[C@@H]1C 846810653 583160465 /nfs/dbraw/zinc/16/04/65/583160465.db2.gz ZHNRYSZENFDAJK-OCAPTIKFSA-N 1 2 197.307 1.626 20 0 ADADLO C[C@H]1C[NH+](Cc2cnsn2)C[C@@H]1C 846810654 583160406 /nfs/dbraw/zinc/16/04/06/583160406.db2.gz ZHNRYSZENFDAJK-YUMQZZPRSA-N 1 2 197.307 1.626 20 0 ADADLO C[N@H+](CCC1CC1)Cc1cnsn1 846832209 583160480 /nfs/dbraw/zinc/16/04/80/583160480.db2.gz ODJSXSAYSDIVRX-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1cnsn1 846832209 583160481 /nfs/dbraw/zinc/16/04/81/583160481.db2.gz ODJSXSAYSDIVRX-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2cnsn2)C1 846806515 583160484 /nfs/dbraw/zinc/16/04/84/583160484.db2.gz NLUBDPITILLHNC-HTQZYQBOSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1CCC[N@@H+]1Cc1cnsn1 846810598 583160490 /nfs/dbraw/zinc/16/04/90/583160490.db2.gz XPQGXOCZJUSTIY-ZETCQYMHSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@H]1CCC[N@H+]1Cc1cnsn1 846810598 583160491 /nfs/dbraw/zinc/16/04/91/583160491.db2.gz XPQGXOCZJUSTIY-ZETCQYMHSA-N 1 2 183.280 1.522 20 0 ADADLO C[N@@H+](Cc1cnsn1)CC1CC1 846774629 583160494 /nfs/dbraw/zinc/16/04/94/583160494.db2.gz FOXWTXAKVOGKHA-UHFFFAOYSA-N 1 2 183.280 1.380 20 0 ADADLO C[N@H+](Cc1cnsn1)CC1CC1 846774629 583160495 /nfs/dbraw/zinc/16/04/95/583160495.db2.gz FOXWTXAKVOGKHA-UHFFFAOYSA-N 1 2 183.280 1.380 20 0 ADADLO C[C@@H]1CCCC[N@@H+]1Cc1cnsn1 846769116 583160497 /nfs/dbraw/zinc/16/04/97/583160497.db2.gz WVYLDYFHQVGGKW-MRVPVSSYSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@@H]1CCCC[N@H+]1Cc1cnsn1 846769116 583160498 /nfs/dbraw/zinc/16/04/98/583160498.db2.gz WVYLDYFHQVGGKW-MRVPVSSYSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@@H]1CC[N@H+](Cc2cnsn2)[C@@H]1C 846811615 583160500 /nfs/dbraw/zinc/16/05/00/583160500.db2.gz MEJBGKGKMDUVEO-HTQZYQBOSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)[C@@H]1C 846811615 583160501 /nfs/dbraw/zinc/16/05/01/583160501.db2.gz MEJBGKGKMDUVEO-HTQZYQBOSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@@H]1C[NH+](Cc2cnsn2)C[C@H]1C 846810652 583160503 /nfs/dbraw/zinc/16/05/03/583160503.db2.gz ZHNRYSZENFDAJK-HTQZYQBOSA-N 1 2 197.307 1.626 20 0 ADADLO CC[C@@H]1CC[N@H+](Cc2cnsn2)C1 846812407 583160506 /nfs/dbraw/zinc/16/05/06/583160506.db2.gz AICJBPQPCKAUFQ-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO CC[C@@H]1CC[N@@H+](Cc2cnsn2)C1 846812407 583160507 /nfs/dbraw/zinc/16/05/07/583160507.db2.gz AICJBPQPCKAUFQ-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO c1nsnc1C[NH+]1C2CCC1CC2 846772770 583160515 /nfs/dbraw/zinc/16/05/15/583160515.db2.gz KEOCLGXSGXNLLL-UHFFFAOYSA-N 1 2 195.291 1.665 20 0 ADADLO CC1CC[NH+](Cc2cnsn2)CC1 846769185 583160519 /nfs/dbraw/zinc/16/05/19/583160519.db2.gz YLLSSDLVSWUBOT-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC[C@H]1CC[N@H+](Cc2cnsn2)C1 846812409 583160525 /nfs/dbraw/zinc/16/05/25/583160525.db2.gz AICJBPQPCKAUFQ-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO CC[C@H]1CC[N@@H+](Cc2cnsn2)C1 846812409 583160527 /nfs/dbraw/zinc/16/05/27/583160527.db2.gz AICJBPQPCKAUFQ-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO CC(C)C[N@H+](C)Cc1cnsn1 846781480 583160533 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/nfs/dbraw/zinc/31/50/58/583315058.db2.gz MTPFFRQVQAFDED-UHFFFAOYSA-N 1 2 195.266 1.209 20 0 ADADLO Cn1c[nH+]cc1-c1cnc(Cl)n1C 863979842 583315160 /nfs/dbraw/zinc/31/51/60/583315160.db2.gz UHVWRVDWZRJWMP-UHFFFAOYSA-N 1 2 196.641 1.474 20 0 ADADLO C[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 865376367 583325291 /nfs/dbraw/zinc/32/52/91/583325291.db2.gz KVEUGKIWXQQAIN-MRVPVSSYSA-N 1 2 182.267 1.561 20 0 ADADLO COC(=O)Cn1c[nH+]c(C(C)(C)C)c1 865374310 583325566 /nfs/dbraw/zinc/32/55/66/583325566.db2.gz BNTJEZVVHRCPQJ-UHFFFAOYSA-N 1 2 196.250 1.354 20 0 ADADLO C[C@@H](O)CCn1c[nH+]c(C(C)(C)C)c1 865376669 583325582 /nfs/dbraw/zinc/32/55/82/583325582.db2.gz YCKUBAYLIJWESP-SECBINFHSA-N 1 2 196.294 1.952 20 0 ADADLO C[C@H](O)CCn1c[nH+]c(C(C)(C)C)c1 865376670 583325743 /nfs/dbraw/zinc/32/57/43/583325743.db2.gz YCKUBAYLIJWESP-VIFPVBQESA-N 1 2 196.294 1.952 20 0 ADADLO C[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 865376368 583325781 /nfs/dbraw/zinc/32/57/81/583325781.db2.gz KVEUGKIWXQQAIN-QMMMGPOBSA-N 1 2 182.267 1.561 20 0 ADADLO C=C=CCNc1cc(CC)[nH+]cn1 865823439 583328484 /nfs/dbraw/zinc/32/84/84/583328484.db2.gz UIOWTISGYQODQM-UHFFFAOYSA-N 1 2 175.235 1.792 20 0 ADADLO Cc1nc(N(C)CCF)c(C)c(C)[nH+]1 865839426 583328811 /nfs/dbraw/zinc/32/88/11/583328811.db2.gz MWAGSAAIRBDYIX-UHFFFAOYSA-N 1 2 197.257 1.808 20 0 ADADLO C[C@H]1C[N@H+](C/C=C\Cl)C[C@@H](C)O1 207170138 583336258 /nfs/dbraw/zinc/33/62/58/583336258.db2.gz DPENMZWXGQVXRP-GPCGZLNTSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@H]1C[N@@H+](C/C=C\Cl)C[C@@H](C)O1 207170138 583336259 /nfs/dbraw/zinc/33/62/59/583336259.db2.gz DPENMZWXGQVXRP-GPCGZLNTSA-N 1 2 189.686 1.848 20 0 ADADLO CC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 871989533 583358861 /nfs/dbraw/zinc/35/88/61/583358861.db2.gz OBOJKZHVXJZLMY-VIFPVBQESA-N 1 2 196.294 1.952 20 0 ADADLO CC(C)(C)c1cn(CCC(N)=O)c[nH+]1 871990013 583359502 /nfs/dbraw/zinc/35/95/02/583359502.db2.gz WXZQWURSOLNZHG-UHFFFAOYSA-N 1 2 195.266 1.056 20 0 ADADLO CC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 871989532 583359587 /nfs/dbraw/zinc/35/95/87/583359587.db2.gz OBOJKZHVXJZLMY-SECBINFHSA-N 1 2 196.294 1.952 20 0 ADADLO C[C@H]([NH2+]Cc1ccon1)c1ccc[nH]1 873097225 583370912 /nfs/dbraw/zinc/37/09/12/583370912.db2.gz KJRNPFHEMXMDCJ-QMMMGPOBSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc[nH]1 873097224 583371077 /nfs/dbraw/zinc/37/10/77/583371077.db2.gz KJRNPFHEMXMDCJ-MRVPVSSYSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@H]([NH2+]Cc1ccoc1)c1ncc[nH]1 124719381 583376830 /nfs/dbraw/zinc/37/68/30/583376830.db2.gz FFGCSEFLZGQISI-QMMMGPOBSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@@H]([NH2+]Cc1ccoc1)c1ncc[nH]1 124719586 583377392 /nfs/dbraw/zinc/37/73/92/583377392.db2.gz FFGCSEFLZGQISI-MRVPVSSYSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@H]([NH2+]Cc1ccco1)c1ncc[nH]1 124799977 583379751 /nfs/dbraw/zinc/37/97/51/583379751.db2.gz VYTRIUIRVQFTPF-QMMMGPOBSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@@H]([NH2+]Cc1ccco1)c1ncc[nH]1 124800179 583379764 /nfs/dbraw/zinc/37/97/64/583379764.db2.gz VYTRIUIRVQFTPF-MRVPVSSYSA-N 1 2 191.234 1.854 20 0 ADADLO c1ccc2[nH]c(Cn3cc[nH+]c3)nc2c1 20478313 583381412 /nfs/dbraw/zinc/38/14/12/583381412.db2.gz RIGRCTBXHHRJFU-UHFFFAOYSA-N 1 2 198.229 1.808 20 0 ADADLO Fc1ccc(NCc2[nH]cc[nH+]2)cn1 125150999 583382247 /nfs/dbraw/zinc/38/22/47/583382247.db2.gz WKTAFOGMFNKZAA-UHFFFAOYSA-N 1 2 192.197 1.556 20 0 ADADLO COc1ccc([NH2+]CC[C@H](C)O)cc1 125102698 583382451 /nfs/dbraw/zinc/38/24/51/583382451.db2.gz AALCVDAURZIPGZ-VIFPVBQESA-N 1 2 195.262 1.878 20 0 ADADLO COc1ccc([NH2+]CC[C@@H](C)O)cc1 125102847 583382473 /nfs/dbraw/zinc/38/24/73/583382473.db2.gz AALCVDAURZIPGZ-SECBINFHSA-N 1 2 195.262 1.878 20 0 ADADLO CCCn1cc(C[N@H+](C)C2CC2)nn1 876580794 583387934 /nfs/dbraw/zinc/38/79/34/583387934.db2.gz QSIDJMCTFYMBKJ-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO CCCn1cc(C[N@@H+](C)C2CC2)nn1 876580794 583387937 /nfs/dbraw/zinc/38/79/37/583387937.db2.gz QSIDJMCTFYMBKJ-UHFFFAOYSA-N 1 2 194.282 1.282 20 0 ADADLO FCC[NH2+]Cc1nc(Cl)cs1 877495615 583394537 /nfs/dbraw/zinc/39/45/37/583394537.db2.gz FNASVPGJCTWILJ-UHFFFAOYSA-N 1 2 194.662 1.856 20 0 ADADLO c1cc(C[NH+]2CC3(CC3)C2)no1 877556980 583394937 /nfs/dbraw/zinc/39/49/37/583394937.db2.gz LXQZNIORXYCAMY-UHFFFAOYSA-N 1 2 164.208 1.270 20 0 ADADLO Cc1cnc(C[NH+]2CC3(CC3)C2)o1 877557795 583395791 /nfs/dbraw/zinc/39/57/91/583395791.db2.gz XMILUSCCDLQBGA-UHFFFAOYSA-N 1 2 178.235 1.579 20 0 ADADLO Cc1nnsc1C[NH+]1CC2(CC2)C1 877557273 583395888 /nfs/dbraw/zinc/39/58/88/583395888.db2.gz PQHPFDVQIMCFPN-UHFFFAOYSA-N 1 2 195.291 1.442 20 0 ADADLO Cc1cc(C[NH+]2CC(C)(O)C2)c(C)o1 877580361 583396728 /nfs/dbraw/zinc/39/67/28/583396728.db2.gz ATCYHTGDIOAVIL-UHFFFAOYSA-N 1 2 195.262 1.463 20 0 ADADLO Cc1csc(C[NH2+]C2(C)COC2)n1 877691119 583396919 /nfs/dbraw/zinc/39/69/19/583396919.db2.gz JFMCXBBQWAOBFG-UHFFFAOYSA-N 1 2 198.291 1.330 20 0 ADADLO CCn1ncc(C[NH+]2CC(C)(C)C2)n1 877717031 583397242 /nfs/dbraw/zinc/39/72/42/583397242.db2.gz BPPCDIWCIFEOJD-UHFFFAOYSA-N 1 2 194.282 1.140 20 0 ADADLO Cc1cc(C[NH+]2CC(C)(C)C2)no1 877717039 583397605 /nfs/dbraw/zinc/39/76/05/583397605.db2.gz CBHHCNRPWBFCKY-UHFFFAOYSA-N 1 2 180.251 1.825 20 0 ADADLO c1cc(OCCOC2CC2)cc[nH+]1 877881826 583398300 /nfs/dbraw/zinc/39/83/00/583398300.db2.gz PKUDBJXSHRJYLB-UHFFFAOYSA-N 1 2 179.219 1.639 20 0 ADADLO CC1CC(COCc2[nH]cc[nH+]2)C1 877884503 583398869 /nfs/dbraw/zinc/39/88/69/583398869.db2.gz YPPCZQMCXLBUTL-UHFFFAOYSA-N 1 2 180.251 1.972 20 0 ADADLO c1c[nH+]c(COCCOC2CC2)[nH]1 877883113 583399182 /nfs/dbraw/zinc/39/91/82/583399182.db2.gz BXWCKCLZTGWAEC-UHFFFAOYSA-N 1 2 182.223 1.105 20 0 ADADLO C=C/C=C/CC[NH+]1CCS(=O)CC1 878094414 583404989 /nfs/dbraw/zinc/40/49/89/583404989.db2.gz UKJUFGBOKXSWDV-ONEGZZNKSA-N 1 2 199.319 1.183 20 0 ADADLO C=C/C=C\CC[NH+]1CCS(=O)CC1 878094413 583405225 /nfs/dbraw/zinc/40/52/25/583405225.db2.gz UKJUFGBOKXSWDV-ARJAWSKDSA-N 1 2 199.319 1.183 20 0 ADADLO C=C/C=C\CC[N@@H+](C)Cc1nnc[nH]1 878176300 583407753 /nfs/dbraw/zinc/40/77/53/583407753.db2.gz JPTMDOQWTZTSQA-PLNGDYQASA-N 1 2 192.266 1.369 20 0 ADADLO C=C/C=C\CC[N@H+](C)Cc1nnc[nH]1 878176300 583407755 /nfs/dbraw/zinc/40/77/55/583407755.db2.gz JPTMDOQWTZTSQA-PLNGDYQASA-N 1 2 192.266 1.369 20 0 ADADLO C[N@H+](CCCC1CC1)Cc1nnc[nH]1 878177467 583407836 /nfs/dbraw/zinc/40/78/36/583407836.db2.gz WGWADFAAEOZIBM-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C[N@@H+](CCCC1CC1)Cc1nnc[nH]1 878177467 583407837 /nfs/dbraw/zinc/40/78/37/583407837.db2.gz WGWADFAAEOZIBM-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C=C/C=C/CC[N@@H+](C)Cc1nnc[nH]1 878176301 583407905 /nfs/dbraw/zinc/40/79/05/583407905.db2.gz JPTMDOQWTZTSQA-SNAWJCMRSA-N 1 2 192.266 1.369 20 0 ADADLO C=C/C=C/CC[N@H+](C)Cc1nnc[nH]1 878176301 583407906 /nfs/dbraw/zinc/40/79/06/583407906.db2.gz JPTMDOQWTZTSQA-SNAWJCMRSA-N 1 2 192.266 1.369 20 0 ADADLO ClC1=CCCN(Cc2c[nH]c[nH+]2)C1 878789701 583414146 /nfs/dbraw/zinc/41/41/46/583414146.db2.gz AJVVPFDXKBWMFA-UHFFFAOYSA-N 1 2 197.669 1.738 20 0 ADADLO ClC1=CCCN(Cc2[nH]cc[nH+]2)C1 878792992 583414037 /nfs/dbraw/zinc/41/40/37/583414037.db2.gz ZEJHDOMWZCRNQF-UHFFFAOYSA-N 1 2 197.669 1.738 20 0 ADADLO ClC1=CCCN(Cc2c[nH+]c[nH]2)C1 878789701 583414143 /nfs/dbraw/zinc/41/41/43/583414143.db2.gz AJVVPFDXKBWMFA-UHFFFAOYSA-N 1 2 197.669 1.738 20 0 ADADLO FCC[N@@H+]1CCC=C(Cl)C1 878791313 583414376 /nfs/dbraw/zinc/41/43/76/583414376.db2.gz LQOUEOFXDXBICZ-UHFFFAOYSA-N 1 2 163.623 1.784 20 0 ADADLO FCC[N@H+]1CCC=C(Cl)C1 878791313 583414378 /nfs/dbraw/zinc/41/43/78/583414378.db2.gz LQOUEOFXDXBICZ-UHFFFAOYSA-N 1 2 163.623 1.784 20 0 ADADLO FCC[N@@H+]1CCC[C@@H]1c1ncccn1 878976396 583416419 /nfs/dbraw/zinc/41/64/19/583416419.db2.gz SDPDNSWOJLFZOJ-SECBINFHSA-N 1 2 195.241 1.583 20 0 ADADLO FCC[N@H+]1CCC[C@@H]1c1ncccn1 878976396 583416421 /nfs/dbraw/zinc/41/64/21/583416421.db2.gz SDPDNSWOJLFZOJ-SECBINFHSA-N 1 2 195.241 1.583 20 0 ADADLO FCC[N@@H+]1CCC[C@H]1c1ncccn1 878976397 583416505 /nfs/dbraw/zinc/41/65/05/583416505.db2.gz SDPDNSWOJLFZOJ-VIFPVBQESA-N 1 2 195.241 1.583 20 0 ADADLO FCC[N@H+]1CCC[C@H]1c1ncccn1 878976397 583416508 /nfs/dbraw/zinc/41/65/08/583416508.db2.gz SDPDNSWOJLFZOJ-VIFPVBQESA-N 1 2 195.241 1.583 20 0 ADADLO Cc1n[nH]cc1C[N@H+](C)C/C=C/Cl 879185546 583417111 /nfs/dbraw/zinc/41/71/11/583417111.db2.gz QBIIXYUCSODMAW-ONEGZZNKSA-N 1 2 199.685 1.902 20 0 ADADLO Cc1n[nH]cc1C[N@@H+](C)C/C=C/Cl 879185546 583417114 /nfs/dbraw/zinc/41/71/14/583417114.db2.gz QBIIXYUCSODMAW-ONEGZZNKSA-N 1 2 199.685 1.902 20 0 ADADLO Cc1n[nH]cc1C[N@H+](C)C/C=C\Cl 879185544 583417349 /nfs/dbraw/zinc/41/73/49/583417349.db2.gz QBIIXYUCSODMAW-ARJAWSKDSA-N 1 2 199.685 1.902 20 0 ADADLO Cc1n[nH]cc1C[N@@H+](C)C/C=C\Cl 879185544 583417351 /nfs/dbraw/zinc/41/73/51/583417351.db2.gz QBIIXYUCSODMAW-ARJAWSKDSA-N 1 2 199.685 1.902 20 0 ADADLO CC1(F)CC[NH+](Cc2cnon2)CC1 879383368 583419017 /nfs/dbraw/zinc/41/90/17/583419017.db2.gz KIXIIRKXQHLFLO-UHFFFAOYSA-N 1 2 199.229 1.394 20 0 ADADLO CCON(CC)Cc1[nH+]ccn1C 879796202 583423841 /nfs/dbraw/zinc/42/38/41/583423841.db2.gz OTXJSUCGNKICJB-UHFFFAOYSA-N 1 2 183.255 1.194 20 0 ADADLO CCON(CC)CCCn1cc[nH+]c1 879797572 583424009 /nfs/dbraw/zinc/42/40/09/583424009.db2.gz TZRKLXNRJRRPTP-UHFFFAOYSA-N 1 2 197.282 1.547 20 0 ADADLO CCON(CC)Cc1c[nH+]cn1C 879796008 583424046 /nfs/dbraw/zinc/42/40/46/583424046.db2.gz KXTHQUXHTVBQHL-UHFFFAOYSA-N 1 2 183.255 1.194 20 0 ADADLO Cc1nnc(C[NH+]2CCC(F)CC2)o1 880239560 583427981 /nfs/dbraw/zinc/42/79/81/583427981.db2.gz LMOYLILIJYRPHQ-UHFFFAOYSA-N 1 2 199.229 1.312 20 0 ADADLO Cc1cc(C[NH+]2CCC(F)CC2)no1 880238418 583427996 /nfs/dbraw/zinc/42/79/96/583427996.db2.gz FTEQCSSRGKCOGH-UHFFFAOYSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cnc(C[NH+]2CCC(F)CC2)o1 880238386 583428074 /nfs/dbraw/zinc/42/80/74/583428074.db2.gz DNCPCSBOAOSCFO-UHFFFAOYSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1nonc1C[NH+]1CCC(F)CC1 880239595 583428134 /nfs/dbraw/zinc/42/81/34/583428134.db2.gz MZHLWLZKQFHOCI-UHFFFAOYSA-N 1 2 199.229 1.312 20 0 ADADLO FC1CC[NH+](Cc2cnon2)CC1 880240124 583428305 /nfs/dbraw/zinc/42/83/05/583428305.db2.gz ZSLUIYUGQXRGDX-UHFFFAOYSA-N 1 2 185.202 1.004 20 0 ADADLO Cc1noc(C[NH+]2CCC(F)CC2)n1 880239240 583428539 /nfs/dbraw/zinc/42/85/39/583428539.db2.gz CNATVMCQEXFTCW-UHFFFAOYSA-N 1 2 199.229 1.312 20 0 ADADLO FC1CC[NH+](Cc2ccon2)CC1 880239431 583428552 /nfs/dbraw/zinc/42/85/52/583428552.db2.gz IZACCKNMJJYTMH-UHFFFAOYSA-N 1 2 184.214 1.609 20 0 ADADLO Cc1nnc(C[NH+]2CCC(F)CC2)[nH]1 880239407 583428579 /nfs/dbraw/zinc/42/85/79/583428579.db2.gz HQBKRIKZYLQKSD-UHFFFAOYSA-N 1 2 198.245 1.047 20 0 ADADLO Cn1ccnc1C[NH+]1CCC(F)CC1 880239755 583428612 /nfs/dbraw/zinc/42/86/12/583428612.db2.gz PHDYJUISPKZDMH-UHFFFAOYSA-N 1 2 197.257 1.354 20 0 ADADLO Cc1nc(C[N@@H+]2CC[C@H](CF)C2)no1 880294523 583429055 /nfs/dbraw/zinc/42/90/55/583429055.db2.gz CHMHOEXNPYEZQJ-MRVPVSSYSA-N 1 2 199.229 1.169 20 0 ADADLO Cc1nc(C[N@H+]2CC[C@H](CF)C2)no1 880294523 583429057 /nfs/dbraw/zinc/42/90/57/583429057.db2.gz CHMHOEXNPYEZQJ-MRVPVSSYSA-N 1 2 199.229 1.169 20 0 ADADLO Cc1nc(C[N@@H+]2CC[C@@H](CF)C2)no1 880294525 583429359 /nfs/dbraw/zinc/42/93/59/583429359.db2.gz CHMHOEXNPYEZQJ-QMMMGPOBSA-N 1 2 199.229 1.169 20 0 ADADLO Cc1nc(C[N@H+]2CC[C@@H](CF)C2)no1 880294525 583429361 /nfs/dbraw/zinc/42/93/61/583429361.db2.gz CHMHOEXNPYEZQJ-QMMMGPOBSA-N 1 2 199.229 1.169 20 0 ADADLO Cl/C=C\Cn1cc[nH+]c1 211107610 583437535 /nfs/dbraw/zinc/43/75/35/583437535.db2.gz ACCXYOAYRCOOST-UPHRSURJSA-N 1 2 142.589 1.636 20 0 ADADLO C/C=C\C(=O)Nc1cc[nH+]c(C)c1 211312205 583439908 /nfs/dbraw/zinc/43/99/08/583439908.db2.gz PVZQDUCJWJBZBB-ARJAWSKDSA-N 1 2 176.219 1.905 20 0 ADADLO C[C@@H](O)C[N@H+](C)C/C(Cl)=C\Cl 211394690 583440769 /nfs/dbraw/zinc/44/07/69/583440769.db2.gz NRKIUYOVKBWDMZ-BTJAISLDSA-N 1 2 198.093 1.618 20 0 ADADLO C[C@@H](O)C[N@@H+](C)C/C(Cl)=C\Cl 211394690 583440772 /nfs/dbraw/zinc/44/07/72/583440772.db2.gz NRKIUYOVKBWDMZ-BTJAISLDSA-N 1 2 198.093 1.618 20 0 ADADLO O[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 211363285 583440923 /nfs/dbraw/zinc/44/09/23/583440923.db2.gz SIPWXKIIQNRHQW-ZAXDUSRUSA-N 1 2 196.077 1.372 20 0 ADADLO O[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 211363285 583440924 /nfs/dbraw/zinc/44/09/24/583440924.db2.gz SIPWXKIIQNRHQW-ZAXDUSRUSA-N 1 2 196.077 1.372 20 0 ADADLO CC[N@H+](CCO)C/C(Cl)=C\Cl 211372107 583441254 /nfs/dbraw/zinc/44/12/54/583441254.db2.gz JVUMCGCFSSZMSD-FNORWQNLSA-N 1 2 198.093 1.620 20 0 ADADLO CC[N@@H+](CCO)C/C(Cl)=C\Cl 211372107 583441256 /nfs/dbraw/zinc/44/12/56/583441256.db2.gz JVUMCGCFSSZMSD-FNORWQNLSA-N 1 2 198.093 1.620 20 0 ADADLO c1cc(COCc2[nH]cc[nH+]2)sn1 882150604 583449913 /nfs/dbraw/zinc/44/99/13/583449913.db2.gz QAGUZOQWPMNXBW-UHFFFAOYSA-N 1 2 195.247 1.583 20 0 ADADLO OCc1cc[nH+]c(N[C@@H]2C=CCC2)c1 882599861 583454662 /nfs/dbraw/zinc/45/46/62/583454662.db2.gz CYISJSGZWDXXAS-SNVBAGLBSA-N 1 2 190.246 1.704 20 0 ADADLO OCc1cc[nH+]c(N[C@H]2C=CCC2)c1 882599860 583454727 /nfs/dbraw/zinc/45/47/27/583454727.db2.gz CYISJSGZWDXXAS-JTQLQIEISA-N 1 2 190.246 1.704 20 0 ADADLO Cc1cc(N2CC[C@@H](CF)C2)nc[nH+]1 882839529 583456517 /nfs/dbraw/zinc/45/65/17/583456517.db2.gz UFWYOIRKSOORLS-VIFPVBQESA-N 1 2 195.241 1.581 20 0 ADADLO Cc1ccc(-n2cc[nH+]c2)c(C=O)c1 213248132 583456731 /nfs/dbraw/zinc/45/67/31/583456731.db2.gz DKHWYDHQWAZCRF-UHFFFAOYSA-N 1 2 186.214 1.993 20 0 ADADLO Cc1nc(N2CCC(F)CC2)cc[nH+]1 882806779 583457025 /nfs/dbraw/zinc/45/70/25/583457025.db2.gz RFMWZHOOTVUQQC-UHFFFAOYSA-N 1 2 195.241 1.723 20 0 ADADLO FC[C@@H]1CCN(c2cccc[nH+]2)C1 882841760 583457193 /nfs/dbraw/zinc/45/71/93/583457193.db2.gz DVWSJYMIHRALLP-VIFPVBQESA-N 1 2 180.226 1.877 20 0 ADADLO Cc1nc(N2CC[C@@H](CF)C2)cc[nH+]1 882841482 583457225 /nfs/dbraw/zinc/45/72/25/583457225.db2.gz XDHRXSSNZFBDAN-VIFPVBQESA-N 1 2 195.241 1.581 20 0 ADADLO Cc1cc(N2CC[C@H](CF)C2)nc[nH+]1 882839528 583457233 /nfs/dbraw/zinc/45/72/33/583457233.db2.gz UFWYOIRKSOORLS-SECBINFHSA-N 1 2 195.241 1.581 20 0 ADADLO Cc1nc(N2CC[C@H](CF)C2)cc[nH+]1 882841481 583457488 /nfs/dbraw/zinc/45/74/88/583457488.db2.gz XDHRXSSNZFBDAN-SECBINFHSA-N 1 2 195.241 1.581 20 0 ADADLO FC[C@H]1CCN(c2cccc[nH+]2)C1 882841759 583457540 /nfs/dbraw/zinc/45/75/40/583457540.db2.gz DVWSJYMIHRALLP-SECBINFHSA-N 1 2 180.226 1.877 20 0 ADADLO C=C/C=C/CCO[NH+]=C(N)[C@@H](C)OC 882981307 583458904 /nfs/dbraw/zinc/45/89/04/583458904.db2.gz HNZNGKKZODOZAN-VUHVRTRXSA-N 1 2 198.266 1.652 20 0 ADADLO C=C/C=C/CCO[NH+]=C(N)[C@H](C)OC 882981304 583459380 /nfs/dbraw/zinc/45/93/80/583459380.db2.gz HNZNGKKZODOZAN-CYNONHLPSA-N 1 2 198.266 1.652 20 0 ADADLO C=C/C=C\CCO[NH+]=C(N)[C@H](C)OC 882981306 583459620 /nfs/dbraw/zinc/45/96/20/583459620.db2.gz HNZNGKKZODOZAN-UDIARPCQSA-N 1 2 198.266 1.652 20 0 ADADLO C=C/C=C\CCO[NH+]=C(N)[C@@H](C)OC 882981305 583459562 /nfs/dbraw/zinc/45/95/62/583459562.db2.gz HNZNGKKZODOZAN-SSJHQANKSA-N 1 2 198.266 1.652 20 0 ADADLO C[C@H](CO[NH+]=C(N)CO)C(C)(C)C 883013610 583460459 /nfs/dbraw/zinc/46/04/59/583460459.db2.gz UKZMGDCNZDPJBS-SSDOTTSWSA-N 1 2 188.271 1.159 20 0 ADADLO C[C@@H](CO[NH+]=C(N)CO)C(C)(C)C 883013611 583460896 /nfs/dbraw/zinc/46/08/96/583460896.db2.gz UKZMGDCNZDPJBS-ZETCQYMHSA-N 1 2 188.271 1.159 20 0 ADADLO NC(CO)=[NH+]OCCCC1CCC1 883013304 583460913 /nfs/dbraw/zinc/46/09/13/583460913.db2.gz KRMRZZBGZWLHSX-UHFFFAOYSA-N 1 2 186.255 1.057 20 0 ADADLO COCCO[NH+]=C(N)c1ccccc1 884083257 583472193 /nfs/dbraw/zinc/47/21/93/583472193.db2.gz IDAAFBLQPQVCNT-UHFFFAOYSA-N 1 2 194.234 1.180 20 0 ADADLO CCOC(=O)/C=C\Cn1cc[nH+]c1 215616566 583479437 /nfs/dbraw/zinc/47/94/37/583479437.db2.gz KSGALSDJNLWHJE-ARJAWSKDSA-N 1 2 180.207 1.002 20 0 ADADLO Cc1nc(N2C[C@H]3C[C@H]3C2)cc[nH+]1 884588909 583480797 /nfs/dbraw/zinc/48/07/97/583480797.db2.gz PSWODXLPABPUEN-DTORHVGOSA-N 1 2 175.235 1.241 20 0 ADADLO Cc1cc(N2C[C@H]3C[C@H]3C2)nc[nH+]1 884588600 583481146 /nfs/dbraw/zinc/48/11/46/583481146.db2.gz KGHOXYLPLFQTFB-DTORHVGOSA-N 1 2 175.235 1.241 20 0 ADADLO c1ccc(N2C[C@H]3C[C@H]3C2)[nH+]c1 884586662 583481189 /nfs/dbraw/zinc/48/11/89/583481189.db2.gz PQUMSMFDSSZJEQ-DTORHVGOSA-N 1 2 160.220 1.538 20 0 ADADLO Fc1c[nH+]ccc1N1C[C@H]2C[C@H]2C1 884590965 583481563 /nfs/dbraw/zinc/48/15/63/583481563.db2.gz IWVFICKEJWKCOX-OCAPTIKFSA-N 1 2 178.210 1.677 20 0 ADADLO COc1ccc[nH+]c1N1C[C@H]2C[C@H]2C1 884592358 583481988 /nfs/dbraw/zinc/48/19/88/583481988.db2.gz MRBHMEYLHMOQIE-DTORHVGOSA-N 1 2 190.246 1.546 20 0 ADADLO C/C=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1 135388221 583483032 /nfs/dbraw/zinc/48/30/32/583483032.db2.gz KGQJTMJJRUNHAG-KGGZQZJCSA-N 1 2 179.223 1.163 20 0 ADADLO CC=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 135388221 583483035 /nfs/dbraw/zinc/48/30/35/583483035.db2.gz KGQJTMJJRUNHAG-KGGZQZJCSA-N 1 2 179.223 1.163 20 0 ADADLO C=CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 135388144 583483217 /nfs/dbraw/zinc/48/32/17/583483217.db2.gz LUBRUTCKFMHACF-ZETCQYMHSA-N 1 2 179.223 1.163 20 0 ADADLO CC(C)=CC(=O)N[C@H](C)c1[nH]cc[nH+]1 135389112 583483544 /nfs/dbraw/zinc/48/35/44/583483544.db2.gz OMQFARRIZIEVGG-MRVPVSSYSA-N 1 2 193.250 1.553 20 0 ADADLO C/C=C/C(=O)N[C@H](CC)c1[nH]cc[nH+]1 135388118 583483560 /nfs/dbraw/zinc/48/35/60/583483560.db2.gz CWXJYTYMBWXPNI-RYEJSQLPSA-N 1 2 193.250 1.553 20 0 ADADLO CC=CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 135388118 583483563 /nfs/dbraw/zinc/48/35/63/583483563.db2.gz CWXJYTYMBWXPNI-RYEJSQLPSA-N 1 2 193.250 1.553 20 0 ADADLO CC(C)=CC(=O)NCCc1[nH]cc[nH+]1 135354110 583483610 /nfs/dbraw/zinc/48/36/10/583483610.db2.gz YFQFTTULKNYRCH-UHFFFAOYSA-N 1 2 193.250 1.035 20 0 ADADLO C=CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 135388169 583483690 /nfs/dbraw/zinc/48/36/90/583483690.db2.gz LUBRUTCKFMHACF-SSDOTTSWSA-N 1 2 179.223 1.163 20 0 ADADLO C/C=C/C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 135388100 583483708 /nfs/dbraw/zinc/48/37/08/583483708.db2.gz CWXJYTYMBWXPNI-WGAJWPLOSA-N 1 2 193.250 1.553 20 0 ADADLO CC=CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 135388100 583483710 /nfs/dbraw/zinc/48/37/10/583483710.db2.gz CWXJYTYMBWXPNI-WGAJWPLOSA-N 1 2 193.250 1.553 20 0 ADADLO Cl/C=C\C[NH+]1CCOCC1 137227575 583492913 /nfs/dbraw/zinc/49/29/13/583492913.db2.gz ZKGAOLQUILWYKQ-UPHRSURJSA-N 1 2 161.632 1.071 20 0 ADADLO OCCCCCCCn1cc[nH+]c1 137307065 583493102 /nfs/dbraw/zinc/49/31/02/583493102.db2.gz NBUFLQIJDHWPLJ-UHFFFAOYSA-N 1 2 182.267 1.826 20 0 ADADLO Cc1[nH]nc(NCc2[nH]cc[nH+]2)c1C 886195994 583493323 /nfs/dbraw/zinc/49/33/23/583493323.db2.gz DOKMQMRWHKHOSF-UHFFFAOYSA-N 1 2 191.238 1.362 20 0 ADADLO CCc1nc(C[N@H+]2C[C@H]3C[C@H]3C2)no1 886332570 583495571 /nfs/dbraw/zinc/49/55/71/583495571.db2.gz WDZPBTKZSWYJPA-OCAPTIKFSA-N 1 2 193.250 1.084 20 0 ADADLO CCc1nc(C[N@@H+]2C[C@H]3C[C@H]3C2)no1 886332570 583495573 /nfs/dbraw/zinc/49/55/73/583495573.db2.gz WDZPBTKZSWYJPA-OCAPTIKFSA-N 1 2 193.250 1.084 20 0 ADADLO C[C@@H](c1csnn1)[N@H+]1C[C@H]2C[C@H]2C1 886348227 583497056 /nfs/dbraw/zinc/49/70/56/583497056.db2.gz IZOPXZOUELZRIL-BIIVOSGPSA-N 1 2 195.291 1.551 20 0 ADADLO C[C@@H](c1csnn1)[N@@H+]1C[C@H]2C[C@H]2C1 886348227 583497059 /nfs/dbraw/zinc/49/70/59/583497059.db2.gz IZOPXZOUELZRIL-BIIVOSGPSA-N 1 2 195.291 1.551 20 0 ADADLO C[C@H](c1csnn1)[N@H+]1C[C@H]2C[C@H]2C1 886348230 583497230 /nfs/dbraw/zinc/49/72/30/583497230.db2.gz IZOPXZOUELZRIL-PRJMDXOYSA-N 1 2 195.291 1.551 20 0 ADADLO C[C@H](c1csnn1)[N@@H+]1C[C@H]2C[C@H]2C1 886348230 583497232 /nfs/dbraw/zinc/49/72/32/583497232.db2.gz IZOPXZOUELZRIL-PRJMDXOYSA-N 1 2 195.291 1.551 20 0 ADADLO C[C@H](O)C[N@H+](CC(F)F)C1CCC1 887102384 583504828 /nfs/dbraw/zinc/50/48/28/583504828.db2.gz OANIIZNCBVFXOD-ZETCQYMHSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)C[N@@H+](CC(F)F)C1CCC1 887102384 583504830 /nfs/dbraw/zinc/50/48/30/583504830.db2.gz OANIIZNCBVFXOD-ZETCQYMHSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)C[N@H+](CC(F)F)C1CCC1 887102383 583505213 /nfs/dbraw/zinc/50/52/13/583505213.db2.gz OANIIZNCBVFXOD-SSDOTTSWSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 887102383 583505215 /nfs/dbraw/zinc/50/52/15/583505215.db2.gz OANIIZNCBVFXOD-SSDOTTSWSA-N 1 2 193.237 1.487 20 0 ADADLO C[N@H+](CCCF)Cc1csnn1 887142736 583505594 /nfs/dbraw/zinc/50/55/94/583505594.db2.gz XZZOJJBERXOPLB-UHFFFAOYSA-N 1 2 189.259 1.330 20 0 ADADLO C[N@@H+](CCCF)Cc1csnn1 887142736 583505595 /nfs/dbraw/zinc/50/55/95/583505595.db2.gz XZZOJJBERXOPLB-UHFFFAOYSA-N 1 2 189.259 1.330 20 0 ADADLO CCn1ccnc1C[N@@H+](C)CCCF 887139065 583505780 /nfs/dbraw/zinc/50/57/80/583505780.db2.gz YTXWBRREYGQPNP-UHFFFAOYSA-N 1 2 199.273 1.694 20 0 ADADLO CCn1ccnc1C[N@H+](C)CCCF 887139065 583505777 /nfs/dbraw/zinc/50/57/77/583505777.db2.gz YTXWBRREYGQPNP-UHFFFAOYSA-N 1 2 199.273 1.694 20 0 ADADLO C[N@H+](CCCF)Cc1cnns1 887142508 583505811 /nfs/dbraw/zinc/50/58/11/583505811.db2.gz MSLHAOVUJDGPPB-UHFFFAOYSA-N 1 2 189.259 1.330 20 0 ADADLO C[N@@H+](CCCF)Cc1cnns1 887142508 583505815 /nfs/dbraw/zinc/50/58/15/583505815.db2.gz MSLHAOVUJDGPPB-UHFFFAOYSA-N 1 2 189.259 1.330 20 0 ADADLO C[N@H+](CCCF)Cc1ncccn1 887141447 583505872 /nfs/dbraw/zinc/50/58/72/583505872.db2.gz UPZGGZPJUCJUGM-UHFFFAOYSA-N 1 2 183.230 1.268 20 0 ADADLO C[N@@H+](CCCF)Cc1ncccn1 887141447 583505874 /nfs/dbraw/zinc/50/58/74/583505874.db2.gz UPZGGZPJUCJUGM-UHFFFAOYSA-N 1 2 183.230 1.268 20 0 ADADLO Cc1ccnc(C[N@H+](C)CCCF)n1 887141431 583506062 /nfs/dbraw/zinc/50/60/62/583506062.db2.gz SYEVWXFMSSUNAH-UHFFFAOYSA-N 1 2 197.257 1.576 20 0 ADADLO Cc1ccnc(C[N@@H+](C)CCCF)n1 887141431 583506065 /nfs/dbraw/zinc/50/60/65/583506065.db2.gz SYEVWXFMSSUNAH-UHFFFAOYSA-N 1 2 197.257 1.576 20 0 ADADLO C[N@H+](CCCF)Cc1cnsn1 887142223 583506532 /nfs/dbraw/zinc/50/65/32/583506532.db2.gz AYPBVFDDDXHJSF-UHFFFAOYSA-N 1 2 189.259 1.330 20 0 ADADLO C[N@@H+](CCCF)Cc1cnsn1 887142223 583506533 /nfs/dbraw/zinc/50/65/33/583506533.db2.gz AYPBVFDDDXHJSF-UHFFFAOYSA-N 1 2 189.259 1.330 20 0 ADADLO Cc1nonc1C[N@H+](C)CCCF 887141560 583506599 /nfs/dbraw/zinc/50/65/99/583506599.db2.gz ZRQMKGGKTYZZOZ-UHFFFAOYSA-N 1 2 187.218 1.169 20 0 ADADLO Cc1nonc1C[N@@H+](C)CCCF 887141560 583506601 /nfs/dbraw/zinc/50/66/01/583506601.db2.gz ZRQMKGGKTYZZOZ-UHFFFAOYSA-N 1 2 187.218 1.169 20 0 ADADLO CC[C@H](C)C(=O)NCc1cn(C)c[nH+]1 890117662 583512458 /nfs/dbraw/zinc/51/24/58/583512458.db2.gz WVEBICBBCPSZFO-QMMMGPOBSA-N 1 2 195.266 1.082 20 0 ADADLO C/C=C(/C)C(=O)NCc1cn(C)c[nH+]1 890110113 583512481 /nfs/dbraw/zinc/51/24/81/583512481.db2.gz KODGNHBTFRTJAY-YWEYNIOJSA-N 1 2 193.250 1.003 20 0 ADADLO CC[C@@H](C)C(=O)NCc1cn(C)c[nH+]1 890117661 583512572 /nfs/dbraw/zinc/51/25/72/583512572.db2.gz WVEBICBBCPSZFO-MRVPVSSYSA-N 1 2 195.266 1.082 20 0 ADADLO C/C=C(\C)C(=O)NCc1cn(C)c[nH+]1 890110112 583512779 /nfs/dbraw/zinc/51/27/79/583512779.db2.gz KODGNHBTFRTJAY-XBXARRHUSA-N 1 2 193.250 1.003 20 0 ADADLO CC(C)=CC(=O)NCc1cn(C)c[nH+]1 890119378 583512832 /nfs/dbraw/zinc/51/28/32/583512832.db2.gz FHLVGCOVOZLVSZ-UHFFFAOYSA-N 1 2 193.250 1.003 20 0 ADADLO CC(C)CNC(=O)CCc1c[nH+]c[nH]1 74726757 490021621 /nfs/dbraw/zinc/02/16/21/490021621.db2.gz TXIGCFHQVHCKTD-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO CC(C)CNC(=O)CCc1c[nH]c[nH+]1 74726757 490021623 /nfs/dbraw/zinc/02/16/23/490021623.db2.gz TXIGCFHQVHCKTD-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 74726762 490021656 /nfs/dbraw/zinc/02/16/56/490021656.db2.gz KDTNYIYMIGEOJC-MRVPVSSYSA-N 1 2 195.266 1.257 20 0 ADADLO CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 74726762 490021658 /nfs/dbraw/zinc/02/16/58/490021658.db2.gz KDTNYIYMIGEOJC-MRVPVSSYSA-N 1 2 195.266 1.257 20 0 ADADLO CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 74726765 490021666 /nfs/dbraw/zinc/02/16/66/490021666.db2.gz KDTNYIYMIGEOJC-QMMMGPOBSA-N 1 2 195.266 1.257 20 0 ADADLO CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 74726765 490021668 /nfs/dbraw/zinc/02/16/68/490021668.db2.gz KDTNYIYMIGEOJC-QMMMGPOBSA-N 1 2 195.266 1.257 20 0 ADADLO CCCCNC(=O)CCc1c[nH+]c[nH]1 74726748 490021794 /nfs/dbraw/zinc/02/17/94/490021794.db2.gz XCJLDVOLWVDGRW-UHFFFAOYSA-N 1 2 195.266 1.259 20 0 ADADLO CCCCNC(=O)CCc1c[nH]c[nH+]1 74726748 490021796 /nfs/dbraw/zinc/02/17/96/490021796.db2.gz XCJLDVOLWVDGRW-UHFFFAOYSA-N 1 2 195.266 1.259 20 0 ADADLO CC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 74727009 490021839 /nfs/dbraw/zinc/02/18/39/490021839.db2.gz QCSRREZLDANJIT-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 74727009 490021841 /nfs/dbraw/zinc/02/18/41/490021841.db2.gz QCSRREZLDANJIT-UHFFFAOYSA-N 1 2 195.266 1.257 20 0 ADADLO CCN(CC)C(=O)CCc1c[nH+]c[nH]1 74726996 490021856 /nfs/dbraw/zinc/02/18/56/490021856.db2.gz CUFDTCDBAOWFKB-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO CCN(CC)C(=O)CCc1c[nH]c[nH+]1 74726996 490021859 /nfs/dbraw/zinc/02/18/59/490021859.db2.gz CUFDTCDBAOWFKB-UHFFFAOYSA-N 1 2 195.266 1.211 20 0 ADADLO CC[C@@H](NC(=O)C1CC1)c1[nH]cc[nH+]1 125337113 490033631 /nfs/dbraw/zinc/03/36/31/490033631.db2.gz CRLFPRKHDPEUHF-MRVPVSSYSA-N 1 2 193.250 1.387 20 0 ADADLO CCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 125322010 490033683 /nfs/dbraw/zinc/03/36/83/490033683.db2.gz UFMAIHKANQKJTA-SSDOTTSWSA-N 1 2 181.239 1.387 20 0 ADADLO CCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 125321081 490033752 /nfs/dbraw/zinc/03/37/52/490033752.db2.gz XROGYRKJVNJHTJ-MRVPVSSYSA-N 1 2 195.266 1.777 20 0 ADADLO CC[C@@H](NC(=O)C(C)C)c1[nH]cc[nH+]1 125320648 490033854 /nfs/dbraw/zinc/03/38/54/490033854.db2.gz PUGIYPHYJNYAAM-MRVPVSSYSA-N 1 2 195.266 1.633 20 0 ADADLO CC[C@H](NC(=O)C1CC1)c1[nH]cc[nH+]1 125336850 490033877 /nfs/dbraw/zinc/03/38/77/490033877.db2.gz CRLFPRKHDPEUHF-QMMMGPOBSA-N 1 2 193.250 1.387 20 0 ADADLO CC[C@H](NC(=O)C(C)C)c1[nH]cc[nH+]1 125320392 490033964 /nfs/dbraw/zinc/03/39/64/490033964.db2.gz PUGIYPHYJNYAAM-QMMMGPOBSA-N 1 2 195.266 1.633 20 0 ADADLO CCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 125321752 490034003 /nfs/dbraw/zinc/03/40/03/490034003.db2.gz UFMAIHKANQKJTA-ZETCQYMHSA-N 1 2 181.239 1.387 20 0 ADADLO CCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 125320853 490034106 /nfs/dbraw/zinc/03/41/06/490034106.db2.gz XROGYRKJVNJHTJ-QMMMGPOBSA-N 1 2 195.266 1.777 20 0 ADADLO CC[C@H](O)CCNc1cccc[nH+]1 127263513 490041947 /nfs/dbraw/zinc/04/19/47/490041947.db2.gz LHAFJHNGMGFXRD-VIFPVBQESA-N 1 2 180.251 1.655 20 0 ADADLO CC[C@@H](O)CCNc1cccc[nH+]1 127263781 490042174 /nfs/dbraw/zinc/04/21/74/490042174.db2.gz LHAFJHNGMGFXRD-SECBINFHSA-N 1 2 180.251 1.655 20 0 ADADLO Cc1ccoc1C[NH2+]Cc1ncc[nH]1 128968479 490047313 /nfs/dbraw/zinc/04/73/13/490047313.db2.gz CQCFCPRCDPYBKU-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO Cc1ccoc1C[NH2+]Cc1ccon1 128936363 490047448 /nfs/dbraw/zinc/04/74/48/490047448.db2.gz BBEKJYQEGBARRI-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO C[N@H+](CCC(C)(C)O)CC(F)F 129520260 490051711 /nfs/dbraw/zinc/05/17/11/490051711.db2.gz CWMYKCVZRYKZOA-UHFFFAOYSA-N 1 2 181.226 1.344 20 0 ADADLO C[N@@H+](CCC(C)(C)O)CC(F)F 129520260 490051714 /nfs/dbraw/zinc/05/17/14/490051714.db2.gz CWMYKCVZRYKZOA-UHFFFAOYSA-N 1 2 181.226 1.344 20 0 ADADLO CCCNC(=O)CCCn1cc[nH+]c1 199240031 490063376 /nfs/dbraw/zinc/06/33/76/490063376.db2.gz BCKKGYBBTFOHSR-UHFFFAOYSA-N 1 2 195.266 1.190 20 0 ADADLO Cc1cnn(Cc2ccc[nH+]c2C)c1 219074881 490071589 /nfs/dbraw/zinc/07/15/89/490071589.db2.gz HDYHWNZINKIFBP-UHFFFAOYSA-N 1 2 187.246 1.943 20 0 ADADLO c1ccc(C[NH2+]Cc2ccno2)nc1 219139946 490071691 /nfs/dbraw/zinc/07/16/91/490071691.db2.gz BIXIGNCWIOLARN-UHFFFAOYSA-N 1 2 189.218 1.359 20 0 ADADLO CCOCCN(C)c1cccc[nH+]1 219748157 490073485 /nfs/dbraw/zinc/07/34/85/490073485.db2.gz XDCGMIBIRUDPRU-UHFFFAOYSA-N 1 2 180.251 1.554 20 0 ADADLO OCCN(c1cccc[nH+]1)C1CCC1 221030889 490078066 /nfs/dbraw/zinc/07/80/66/490078066.db2.gz DGJQCCZDNJRQQS-UHFFFAOYSA-N 1 2 192.262 1.433 20 0 ADADLO CN(CCCCCO)c1cccc[nH+]1 221098095 490078169 /nfs/dbraw/zinc/07/81/69/490078169.db2.gz VMFWLFPJOYSXLW-UHFFFAOYSA-N 1 2 194.278 1.680 20 0 ADADLO OCC[N@H+](CC(F)F)C1CCC1 221154458 490078217 /nfs/dbraw/zinc/07/82/17/490078217.db2.gz NMWIHMZRDNYEAT-UHFFFAOYSA-N 1 2 179.210 1.098 20 0 ADADLO OCC[N@@H+](CC(F)F)C1CCC1 221154458 490078220 /nfs/dbraw/zinc/07/82/20/490078220.db2.gz NMWIHMZRDNYEAT-UHFFFAOYSA-N 1 2 179.210 1.098 20 0 ADADLO O=C(CCC1CC1)NCc1c[nH+]c[nH]1 400772803 490145207 /nfs/dbraw/zinc/14/52/07/490145207.db2.gz MIGNDJQZTMWKEW-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO O=C(CCC1CC1)NCc1c[nH]c[nH+]1 400772803 490145214 /nfs/dbraw/zinc/14/52/14/490145214.db2.gz MIGNDJQZTMWKEW-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CC1(CC(=O)NCc2[nH]cc[nH+]2)CC1 401260657 490146399 /nfs/dbraw/zinc/14/63/99/490146399.db2.gz FECFDVTZRZVEQG-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CC1(CC(=O)NCc2c[nH+]c[nH]2)CC1 401262542 490147040 /nfs/dbraw/zinc/14/70/40/490147040.db2.gz GKZLFYTZWHUQKR-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CC1(CC(=O)NCc2c[nH]c[nH+]2)CC1 401262542 490147047 /nfs/dbraw/zinc/14/70/47/490147047.db2.gz GKZLFYTZWHUQKR-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CNc1nc(C2CCC2)[nH+]cc1C 584882685 490156268 /nfs/dbraw/zinc/15/62/68/490156268.db2.gz XZLRTFKRDVUSCH-UHFFFAOYSA-N 1 2 177.251 2.094 20 0 ADADLO CCNc1nc(CC)[nH+]cc1C 584882411 490156306 /nfs/dbraw/zinc/15/63/06/490156306.db2.gz GRACGMZLFOJOFN-UHFFFAOYSA-N 1 2 165.240 1.779 20 0 ADADLO CCNc1nc(C2CC2)[nH+]cc1C 584882374 490156323 /nfs/dbraw/zinc/15/63/23/490156323.db2.gz FNZYPUWDVVEZDK-UHFFFAOYSA-N 1 2 177.251 2.094 20 0 ADADLO Nc1ccc2c(F)cccc2[nH+]1 585672590 490158381 /nfs/dbraw/zinc/15/83/81/490158381.db2.gz VWNBEDMLIMAGLG-UHFFFAOYSA-N 1 2 162.167 1.956 20 0 ADADLO Cc1c(Cl)c[nH+]c(N)c1C 585681300 490158310 /nfs/dbraw/zinc/15/83/10/490158310.db2.gz SXRXXTMMOONWRS-UHFFFAOYSA-N 1 2 156.616 1.934 20 0 ADADLO O=S1CC[NH+](CC2=CCCC2)CC1 592071116 490161825 /nfs/dbraw/zinc/16/18/25/490161825.db2.gz ZZZVTNDFCXAZAB-UHFFFAOYSA-N 1 2 199.319 1.161 20 0 ADADLO COC(=O)C(C)(C)[NH2+]CC1=CCCC1 592067171 490161898 /nfs/dbraw/zinc/16/18/98/490161898.db2.gz PWIPZNOMKSSYMA-UHFFFAOYSA-N 1 2 197.278 1.638 20 0 ADADLO OC1CCN(c2cc[nH+]cc2F)CC1 606270516 490165166 /nfs/dbraw/zinc/16/51/66/490165166.db2.gz PLBDQQHIROLVFP-UHFFFAOYSA-N 1 2 196.225 1.182 20 0 ADADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(C)=O 42451269 491021213 /nfs/dbraw/zinc/02/12/13/491021213.db2.gz WZAYOWBVHYWUJD-NXEZZACHSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(C)=O 42451269 491021214 /nfs/dbraw/zinc/02/12/14/491021214.db2.gz WZAYOWBVHYWUJD-NXEZZACHSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(C)=O 42451273 491021232 /nfs/dbraw/zinc/02/12/32/491021232.db2.gz WZAYOWBVHYWUJD-VHSXEESVSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(C)=O 42451273 491021233 /nfs/dbraw/zinc/02/12/33/491021233.db2.gz WZAYOWBVHYWUJD-VHSXEESVSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(C)=O 42451271 491021242 /nfs/dbraw/zinc/02/12/42/491021242.db2.gz WZAYOWBVHYWUJD-ZJUUUORDSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(C)=O 42451271 491021243 /nfs/dbraw/zinc/02/12/43/491021243.db2.gz WZAYOWBVHYWUJD-ZJUUUORDSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(C)=O 42451275 491021251 /nfs/dbraw/zinc/02/12/51/491021251.db2.gz WZAYOWBVHYWUJD-UWVGGRQHSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(C)=O 42451275 491021252 /nfs/dbraw/zinc/02/12/52/491021252.db2.gz WZAYOWBVHYWUJD-UWVGGRQHSA-N 1 2 185.267 1.075 20 0 ADADLO CCCCOCCn1cc[nH+]c1 82615231 491022362 /nfs/dbraw/zinc/02/23/62/491022362.db2.gz OBLKZZPCLPRRQC-UHFFFAOYSA-N 1 2 168.240 1.700 20 0 ADADLO C1=CCN(c2cccc[nH+]2)CC1 81201470 491021587 /nfs/dbraw/zinc/02/15/87/491021587.db2.gz UAVVRPJPFMLHEP-UHFFFAOYSA-N 1 2 160.220 1.848 20 0 ADADLO CC(C)c1nsc(-n2cc[nH+]c2)n1 83675973 491024927 /nfs/dbraw/zinc/02/49/27/491024927.db2.gz AOMSUJLFYFMUJQ-UHFFFAOYSA-N 1 2 194.263 1.847 20 0 ADADLO Cc1cc(N[C@H](CO)C(C)C)nc[nH+]1 86126316 491028441 /nfs/dbraw/zinc/02/84/41/491028441.db2.gz YPYQCQUIHVFLSS-SECBINFHSA-N 1 2 195.266 1.214 20 0 ADADLO CC(C)[C@@H](CO)Nc1cccc[nH+]1 86126379 491028454 /nfs/dbraw/zinc/02/84/54/491028454.db2.gz NOISHLDQGLJDRF-SECBINFHSA-N 1 2 180.251 1.510 20 0 ADADLO CNc1nc(N(C)C)nc(C(C)C)[nH+]1 84027996 491026010 /nfs/dbraw/zinc/02/60/10/491026010.db2.gz MIILYFYFCZUTFP-UHFFFAOYSA-N 1 2 195.270 1.103 20 0 ADADLO CNc1nc(C(C)C)[nH+]c(N(C)C)n1 84027996 491026011 /nfs/dbraw/zinc/02/60/11/491026011.db2.gz MIILYFYFCZUTFP-UHFFFAOYSA-N 1 2 195.270 1.103 20 0 ADADLO CC(C)n1ncnc1Cn1cc[nH+]c1 83996624 491026063 /nfs/dbraw/zinc/02/60/63/491026063.db2.gz GRLOJGIBVKSVEA-UHFFFAOYSA-N 1 2 191.238 1.104 20 0 ADADLO CC(C)[C@H](C)C(=O)NCc1c[nH+]c[nH]1 84081783 491026095 /nfs/dbraw/zinc/02/60/95/491026095.db2.gz WCTVTGUEGIHMKD-QMMMGPOBSA-N 1 2 195.266 1.318 20 0 ADADLO CC(C)[C@H](C)C(=O)NCc1c[nH]c[nH+]1 84081783 491026096 /nfs/dbraw/zinc/02/60/96/491026096.db2.gz WCTVTGUEGIHMKD-QMMMGPOBSA-N 1 2 195.266 1.318 20 0 ADADLO CCC[C@H](C)C(=O)NCc1c[nH+]c[nH]1 84081610 491026148 /nfs/dbraw/zinc/02/61/48/491026148.db2.gz RENNLASLFDXICT-QMMMGPOBSA-N 1 2 195.266 1.462 20 0 ADADLO CCC[C@H](C)C(=O)NCc1c[nH]c[nH+]1 84081610 491026149 /nfs/dbraw/zinc/02/61/49/491026149.db2.gz RENNLASLFDXICT-QMMMGPOBSA-N 1 2 195.266 1.462 20 0 ADADLO CC(C)[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 84081782 491026180 /nfs/dbraw/zinc/02/61/80/491026180.db2.gz WCTVTGUEGIHMKD-MRVPVSSYSA-N 1 2 195.266 1.318 20 0 ADADLO CC(C)[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 84081782 491026181 /nfs/dbraw/zinc/02/61/81/491026181.db2.gz WCTVTGUEGIHMKD-MRVPVSSYSA-N 1 2 195.266 1.318 20 0 ADADLO CCC[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 84081608 491026187 /nfs/dbraw/zinc/02/61/87/491026187.db2.gz RENNLASLFDXICT-MRVPVSSYSA-N 1 2 195.266 1.462 20 0 ADADLO CCC[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 84081608 491026188 /nfs/dbraw/zinc/02/61/88/491026188.db2.gz RENNLASLFDXICT-MRVPVSSYSA-N 1 2 195.266 1.462 20 0 ADADLO CCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 84081751 491026228 /nfs/dbraw/zinc/02/62/28/491026228.db2.gz DSZWDFWFPGRQOH-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 84081751 491026229 /nfs/dbraw/zinc/02/62/29/491026229.db2.gz DSZWDFWFPGRQOH-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CCc1cc(-n2ccnc2)nc(C)[nH+]1 84082448 491026246 /nfs/dbraw/zinc/02/62/46/491026246.db2.gz RJHHLKOEFFAAAX-UHFFFAOYSA-N 1 2 188.234 1.533 20 0 ADADLO Cc1nc(N[C@H](CO)C(C)C)cc[nH+]1 86126504 491028516 /nfs/dbraw/zinc/02/85/16/491028516.db2.gz PAYGHQSYZFBREX-SECBINFHSA-N 1 2 195.266 1.214 20 0 ADADLO CC1(O)C[NH+](Cc2cccc(F)c2)C1 84356820 491026584 /nfs/dbraw/zinc/02/65/84/491026584.db2.gz DQYDBBLTAZECQJ-UHFFFAOYSA-N 1 2 195.237 1.392 20 0 ADADLO CC1(O)C[NH+](Cc2ccc(F)cc2)C1 84357236 491026685 /nfs/dbraw/zinc/02/66/85/491026685.db2.gz VXIFEUVZXKNWGC-UHFFFAOYSA-N 1 2 195.237 1.392 20 0 ADADLO Cn1c[nH+]cc1CNCC(F)(F)F 85167630 491027138 /nfs/dbraw/zinc/02/71/38/491027138.db2.gz UGTXOYOHYDZCJS-UHFFFAOYSA-N 1 2 193.172 1.072 20 0 ADADLO CCN(CC(C)(C)O)c1cccc[nH+]1 86274325 491028700 /nfs/dbraw/zinc/02/87/00/491028700.db2.gz CVFOUYBMYGJODE-UHFFFAOYSA-N 1 2 194.278 1.679 20 0 ADADLO Cc1[nH]ncc1C[NH2+]Cc1cc[nH]c1 85579410 491027781 /nfs/dbraw/zinc/02/77/81/491027781.db2.gz XJHSCTYYJADFHX-UHFFFAOYSA-N 1 2 190.250 1.336 20 0 ADADLO Cc1cc(C[NH2+]Cc2cc[nH]c2)no1 85579654 491027816 /nfs/dbraw/zinc/02/78/16/491027816.db2.gz LRCWRUREXDLGCX-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO c1cc(C[NH2+]Cc2cc[nH]c2)[nH]n1 85579509 491027837 /nfs/dbraw/zinc/02/78/37/491027837.db2.gz GZPACZUTNZJIIX-UHFFFAOYSA-N 1 2 176.223 1.028 20 0 ADADLO Cn1ccc(C[NH2+]Cc2ccn[nH]2)c1 85590986 491027949 /nfs/dbraw/zinc/02/79/49/491027949.db2.gz SZVUBJILIIIWDV-UHFFFAOYSA-N 1 2 190.250 1.038 20 0 ADADLO c1ccc(NCc2ccon2)[nH+]c1 86443357 491029066 /nfs/dbraw/zinc/02/90/66/491029066.db2.gz LQGDVKUHWHLZPR-UHFFFAOYSA-N 1 2 175.191 1.682 20 0 ADADLO Cc1ccc(C[NH2+]Cc2ccon2)o1 86452708 491029092 /nfs/dbraw/zinc/02/90/92/491029092.db2.gz FOXOMRWMRURJRA-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO C[C@@]1(C[NH2+]Cc2ccn[nH]2)CCCO1 87233700 491030096 /nfs/dbraw/zinc/03/00/96/491030096.db2.gz NTSAJUOTSZZFFK-JTQLQIEISA-N 1 2 195.266 1.068 20 0 ADADLO C[C@]1(C[NH2+]Cc2ccn[nH]2)CCCO1 87233697 491030165 /nfs/dbraw/zinc/03/01/65/491030165.db2.gz NTSAJUOTSZZFFK-SNVBAGLBSA-N 1 2 195.266 1.068 20 0 ADADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccoc1 87289986 491030499 /nfs/dbraw/zinc/03/04/99/491030499.db2.gz YKISQLFYOIUBRY-QMMMGPOBSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccoc1 87289987 491030534 /nfs/dbraw/zinc/03/05/34/491030534.db2.gz YKISQLFYOIUBRY-MRVPVSSYSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@H](CCCO)Nc1cccc[nH+]1 87360524 491030707 /nfs/dbraw/zinc/03/07/07/491030707.db2.gz PYZOVPJISQYKNB-SECBINFHSA-N 1 2 180.251 1.655 20 0 ADADLO Cc1nc(N[C@@H](C)CCCO)cc[nH+]1 87360603 491030749 /nfs/dbraw/zinc/03/07/49/491030749.db2.gz UJWNVSQACWCKIZ-QMMMGPOBSA-N 1 2 195.266 1.358 20 0 ADADLO Cc1nc(N[C@H](C)CCCO)cc[nH+]1 87360604 491030764 /nfs/dbraw/zinc/03/07/64/491030764.db2.gz UJWNVSQACWCKIZ-MRVPVSSYSA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@H](CCO)CNc1cccc[nH+]1 87371080 491030783 /nfs/dbraw/zinc/03/07/83/491030783.db2.gz QEHLPGPJIVJOOP-SNVBAGLBSA-N 1 2 194.278 1.902 20 0 ADADLO OCC[N@H+](Cc1nccs1)C1CC1 87396281 491030806 /nfs/dbraw/zinc/03/08/06/491030806.db2.gz YKWGOVNFMCXUCR-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO OCC[N@@H+](Cc1nccs1)C1CC1 87396281 491030807 /nfs/dbraw/zinc/03/08/07/491030807.db2.gz YKWGOVNFMCXUCR-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO OC1CC[NH+](Cc2nccs2)CC1 87396277 491030820 /nfs/dbraw/zinc/03/08/20/491030820.db2.gz FQOWOCOJZDJRHJ-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO CC[C@@H](CCO)CNc1cccc[nH+]1 87371072 491030896 /nfs/dbraw/zinc/03/08/96/491030896.db2.gz QEHLPGPJIVJOOP-JTQLQIEISA-N 1 2 194.278 1.902 20 0 ADADLO c1cc(C[NH2+]C[C@H]2CCCS2)[nH]n1 87473273 491031138 /nfs/dbraw/zinc/03/11/38/491031138.db2.gz JWXGTROZYJMRGK-SECBINFHSA-N 1 2 197.307 1.395 20 0 ADADLO c1cc(C[NH2+]C[C@@H]2CCCS2)[nH]n1 87473272 491031179 /nfs/dbraw/zinc/03/11/79/491031179.db2.gz JWXGTROZYJMRGK-VIFPVBQESA-N 1 2 197.307 1.395 20 0 ADADLO C[C@@H]([NH2+]CCF)c1nccs1 87775232 491032111 /nfs/dbraw/zinc/03/21/11/491032111.db2.gz JNPRBPDWPFNNHP-ZCFIWIBFSA-N 1 2 174.244 1.763 20 0 ADADLO CC1(O)CC[NH+](CC(F)F)CC1 87781240 491032146 /nfs/dbraw/zinc/03/21/46/491032146.db2.gz GOWLJZGWXGEFAS-UHFFFAOYSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@H]([NH2+]CCF)c1nccs1 87775231 491032171 /nfs/dbraw/zinc/03/21/71/491032171.db2.gz JNPRBPDWPFNNHP-LURJTMIESA-N 1 2 174.244 1.763 20 0 ADADLO CCc1cc(N[C@H]2CCOC2)nc[nH+]1 87787800 491032335 /nfs/dbraw/zinc/03/23/35/491032335.db2.gz XKGHYSLOIPIHCL-VIFPVBQESA-N 1 2 193.250 1.240 20 0 ADADLO CCNc1cc(N2CCCC2)nc[nH+]1 87805725 491032477 /nfs/dbraw/zinc/03/24/77/491032477.db2.gz GEHQXKMIBOHZHW-UHFFFAOYSA-N 1 2 192.266 1.509 20 0 ADADLO CCNc1cc(N2CCCC2)[nH+]cn1 87805725 491032478 /nfs/dbraw/zinc/03/24/78/491032478.db2.gz GEHQXKMIBOHZHW-UHFFFAOYSA-N 1 2 192.266 1.509 20 0 ADADLO CCNc1cc(NCC2CC2)nc[nH+]1 87807584 491032494 /nfs/dbraw/zinc/03/24/94/491032494.db2.gz NYHFVSYMLPZWKT-UHFFFAOYSA-N 1 2 192.266 1.730 20 0 ADADLO CCNc1cc(NCC2CC2)[nH+]cn1 87807584 491032495 /nfs/dbraw/zinc/03/24/95/491032495.db2.gz NYHFVSYMLPZWKT-UHFFFAOYSA-N 1 2 192.266 1.730 20 0 ADADLO Cn1ccc(C[NH2+]Cc2ccon2)c1 88052769 491032847 /nfs/dbraw/zinc/03/28/47/491032847.db2.gz ZAZVAUQMFXLBIJ-UHFFFAOYSA-N 1 2 191.234 1.303 20 0 ADADLO CC[C@H](O)CCNc1cc(C)[nH+]cn1 131630595 491034942 /nfs/dbraw/zinc/03/49/42/491034942.db2.gz FKNWPMVDONDOPM-VIFPVBQESA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@H](O)CCNc1cc[nH+]c(C)n1 131628033 491034994 /nfs/dbraw/zinc/03/49/94/491034994.db2.gz OXQIWRDIMSXUMG-VIFPVBQESA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@@H](O)CCNc1cc(C)[nH+]cn1 131630819 491035001 /nfs/dbraw/zinc/03/50/01/491035001.db2.gz FKNWPMVDONDOPM-SECBINFHSA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@@H](O)CCNc1cc[nH+]c(C)n1 131628238 491035042 /nfs/dbraw/zinc/03/50/42/491035042.db2.gz OXQIWRDIMSXUMG-SECBINFHSA-N 1 2 195.266 1.358 20 0 ADADLO CC(C)OCCNc1cccc[nH+]1 134070475 491038483 /nfs/dbraw/zinc/03/84/83/491038483.db2.gz NJODGTIVPINWOR-UHFFFAOYSA-N 1 2 180.251 1.919 20 0 ADADLO Cc1nc(NCCOC(C)C)cc[nH+]1 134067923 491038535 /nfs/dbraw/zinc/03/85/35/491038535.db2.gz WQFJASWOZOJLLG-UHFFFAOYSA-N 1 2 195.266 1.622 20 0 ADADLO Cc1[nH]ncc1C[NH2+]CCOC(C)C 134116071 491038637 /nfs/dbraw/zinc/03/86/37/491038637.db2.gz VWARAHDFONVAKC-UHFFFAOYSA-N 1 2 197.282 1.233 20 0 ADADLO COC[C@H](C)Nc1c[nH+]cc(C)c1 134340257 491038771 /nfs/dbraw/zinc/03/87/71/491038771.db2.gz NNYOMDIJHZHRSH-VIFPVBQESA-N 1 2 180.251 1.837 20 0 ADADLO COC[C@@H](C)Nc1c[nH+]cc(C)c1 134340282 491038806 /nfs/dbraw/zinc/03/88/06/491038806.db2.gz NNYOMDIJHZHRSH-SECBINFHSA-N 1 2 180.251 1.837 20 0 ADADLO CC[C@@H](CO)[NH2+][C@H](C)c1cn[nH]c1C 134542411 491038981 /nfs/dbraw/zinc/03/89/81/491038981.db2.gz XUIMKZKJHTWRRZ-APPZFPTMSA-N 1 2 197.282 1.140 20 0 ADADLO COC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1C 134540072 491039000 /nfs/dbraw/zinc/03/90/00/491039000.db2.gz XZLKVIRYUVQHKZ-HTQZYQBOSA-N 1 2 197.282 1.404 20 0 ADADLO COC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1C 134540094 491039009 /nfs/dbraw/zinc/03/90/09/491039009.db2.gz XZLKVIRYUVQHKZ-SFYZADRCSA-N 1 2 197.282 1.404 20 0 ADADLO CC[C@@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C 134542364 491039028 /nfs/dbraw/zinc/03/90/28/491039028.db2.gz XUIMKZKJHTWRRZ-CBAPKCEASA-N 1 2 197.282 1.140 20 0 ADADLO COCC[NH2+][C@@H](C)c1cn[nH]c1C 134543115 491039036 /nfs/dbraw/zinc/03/90/36/491039036.db2.gz KGVIPRLCLCBZHV-ZETCQYMHSA-N 1 2 183.255 1.015 20 0 ADADLO CC[C@H](CO)[NH2+][C@@H](C)c1cn[nH]c1C 134542387 491039050 /nfs/dbraw/zinc/03/90/50/491039050.db2.gz XUIMKZKJHTWRRZ-IONNQARKSA-N 1 2 197.282 1.140 20 0 ADADLO CC[C@H](CO)[NH2+][C@H](C)c1cn[nH]c1C 134542429 491039054 /nfs/dbraw/zinc/03/90/54/491039054.db2.gz XUIMKZKJHTWRRZ-VXNVDRBHSA-N 1 2 197.282 1.140 20 0 ADADLO COCC[NH2+][C@H](C)c1cn[nH]c1C 134543088 491039072 /nfs/dbraw/zinc/03/90/72/491039072.db2.gz KGVIPRLCLCBZHV-SSDOTTSWSA-N 1 2 183.255 1.015 20 0 ADADLO CCOCC[NH2+][C@@H](C)c1cn[nH]c1C 134549240 491039085 /nfs/dbraw/zinc/03/90/85/491039085.db2.gz XPGYVPIQPVUFNT-QMMMGPOBSA-N 1 2 197.282 1.405 20 0 ADADLO CCOCC[NH2+][C@H](C)c1cn[nH]c1C 134549260 491039099 /nfs/dbraw/zinc/03/90/99/491039099.db2.gz XPGYVPIQPVUFNT-MRVPVSSYSA-N 1 2 197.282 1.405 20 0 ADADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCOC1 134595520 491039211 /nfs/dbraw/zinc/03/92/11/491039211.db2.gz AKYCBQDUAXCSTI-APPZFPTMSA-N 1 2 195.266 1.158 20 0 ADADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCOC1 134595542 491039223 /nfs/dbraw/zinc/03/92/23/491039223.db2.gz AKYCBQDUAXCSTI-CBAPKCEASA-N 1 2 195.266 1.158 20 0 ADADLO COC1(C[NH2+]Cc2ccn[nH]2)CCC1 134661755 491039423 /nfs/dbraw/zinc/03/94/23/491039423.db2.gz YUDAUJZPYRAUNE-UHFFFAOYSA-N 1 2 195.266 1.068 20 0 ADADLO O=C(CC1CCC1)NCc1c[nH+]c[nH]1 224927815 491041944 /nfs/dbraw/zinc/04/19/44/491041944.db2.gz CJTOUWNCIWGWBZ-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO O=C(CC1CCC1)NCc1c[nH]c[nH+]1 224927815 491041945 /nfs/dbraw/zinc/04/19/45/491041945.db2.gz CJTOUWNCIWGWBZ-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO Cc1cc(NCCCCCO)nc[nH+]1 228725711 491044756 /nfs/dbraw/zinc/04/47/56/491044756.db2.gz CJXGYLRFFUXHMM-UHFFFAOYSA-N 1 2 195.266 1.360 20 0 ADADLO Cc1nc(NCCCCCO)cc[nH+]1 228725354 491044797 /nfs/dbraw/zinc/04/47/97/491044797.db2.gz PSTILUAFEXQDSU-UHFFFAOYSA-N 1 2 195.266 1.360 20 0 ADADLO Cc1cnc(C[NH2+]Cc2ccco2)o1 227083988 491043382 /nfs/dbraw/zinc/04/33/82/491043382.db2.gz CNGATONVKHMIMU-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO Cc1nc(NCCC[C@H](C)O)cc[nH+]1 227995545 491044126 /nfs/dbraw/zinc/04/41/26/491044126.db2.gz LHQXLUGEVMJIHI-QMMMGPOBSA-N 1 2 195.266 1.358 20 0 ADADLO C[C@@H](O)CCCNc1cccc[nH+]1 227995742 491044146 /nfs/dbraw/zinc/04/41/46/491044146.db2.gz LSLWKTKBODSGSN-SECBINFHSA-N 1 2 180.251 1.655 20 0 ADADLO Cc1cc(NCCC[C@@H](C)O)nc[nH+]1 227998394 491044154 /nfs/dbraw/zinc/04/41/54/491044154.db2.gz MUEYNUYSKBFZDM-SECBINFHSA-N 1 2 195.266 1.358 20 0 ADADLO Cc1cc(NCCC[C@H](C)O)nc[nH+]1 227998405 491044191 /nfs/dbraw/zinc/04/41/91/491044191.db2.gz MUEYNUYSKBFZDM-VIFPVBQESA-N 1 2 195.266 1.358 20 0 ADADLO Cc1nc(NCCC[C@@H](C)O)cc[nH+]1 227995534 491044221 /nfs/dbraw/zinc/04/42/21/491044221.db2.gz LHQXLUGEVMJIHI-MRVPVSSYSA-N 1 2 195.266 1.358 20 0 ADADLO COC[C@H](CNc1cccc[nH+]1)OC 227700584 491043769 /nfs/dbraw/zinc/04/37/69/491043769.db2.gz IRVRNWQKDPRQKC-VIFPVBQESA-N 1 2 196.250 1.155 20 0 ADADLO C[C@H](O)CCCNc1cccc[nH+]1 227995751 491044224 /nfs/dbraw/zinc/04/42/24/491044224.db2.gz LSLWKTKBODSGSN-VIFPVBQESA-N 1 2 180.251 1.655 20 0 ADADLO COC[C@@H](CNc1cccc[nH+]1)OC 227700578 491043808 /nfs/dbraw/zinc/04/38/08/491043808.db2.gz IRVRNWQKDPRQKC-SECBINFHSA-N 1 2 196.250 1.155 20 0 ADADLO CO[C@H]1CC[N@H+](CC(F)F)[C@@H](C)C1 306364969 491049477 /nfs/dbraw/zinc/04/94/77/491049477.db2.gz GJGIEZLTMKDKHL-YUMQZZPRSA-N 1 2 193.237 1.751 20 0 ADADLO CO[C@H]1CC[N@@H+](CC(F)F)[C@@H](C)C1 306364969 491049479 /nfs/dbraw/zinc/04/94/79/491049479.db2.gz GJGIEZLTMKDKHL-YUMQZZPRSA-N 1 2 193.237 1.751 20 0 ADADLO FC(F)C[N@@H+]1CC[C@@H](C(F)F)C1 306373971 491049553 /nfs/dbraw/zinc/04/95/53/491049553.db2.gz SXZGAEBTIUHQOM-RXMQYKEDSA-N 1 2 185.164 1.839 20 0 ADADLO FC(F)C[N@H+]1CC[C@@H](C(F)F)C1 306373971 491049554 /nfs/dbraw/zinc/04/95/54/491049554.db2.gz SXZGAEBTIUHQOM-RXMQYKEDSA-N 1 2 185.164 1.839 20 0 ADADLO CO[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 306196866 491046488 /nfs/dbraw/zinc/04/64/88/491046488.db2.gz QQNMYRWOKSRMIN-HTQZYQBOSA-N 1 2 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CCC[C@H](O)CNc1cc[nH+]cc1F 308730561 491118329 /nfs/dbraw/zinc/11/83/29/491118329.db2.gz JENYVADCDIUNNO-QMMMGPOBSA-N 1 2 198.241 1.794 20 0 ADADLO Cc1nc(C[NH2+]C2(C3CC3)CC2)no1 308746474 491118824 /nfs/dbraw/zinc/11/88/24/491118824.db2.gz RITMWOMIJOYPSM-UHFFFAOYSA-N 1 2 193.250 1.410 20 0 ADADLO CC[C@]1([NH2+]Cc2ccn[nH]2)CCOC1 308753227 491118911 /nfs/dbraw/zinc/11/89/11/491118911.db2.gz VKYBNHPXGBBUKT-JTQLQIEISA-N 1 2 195.266 1.068 20 0 ADADLO CC[C@@]1([NH2+]Cc2ccn[nH]2)CCOC1 308753229 491118950 /nfs/dbraw/zinc/11/89/50/491118950.db2.gz VKYBNHPXGBBUKT-SNVBAGLBSA-N 1 2 195.266 1.068 20 0 ADADLO c1csc(C[NH2+]Cc2c[nH]cn2)c1 54763673 1188769460 /nfs/dbraw/zinc/76/94/60/1188769460.db2.gz JFVZEVFQTPQORR-UHFFFAOYSA-N 1 2 193.275 1.761 20 0 ADADLO CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 74828199 1188774589 /nfs/dbraw/zinc/77/45/89/1188774589.db2.gz HEXFQYDYUUOVRG-UHFFFAOYSA-N 1 2 193.250 1.136 20 0 ADADLO Cc1ccc(-n2cc[nH+]c2)cc1N 82655550 1188777066 /nfs/dbraw/zinc/77/70/66/1188777066.db2.gz 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697629193 /nfs/dbraw/zinc/62/91/93/697629193.db2.gz PZIBXYDFUQDNJO-UHFFFAOYSA-N 1 2 190.250 1.038 20 0 ADADLO CO[C@@H]1CCN(c2cc[nH+]cc2F)C1 113556099 697636675 /nfs/dbraw/zinc/63/66/75/697636675.db2.gz UIHWTDGFNFXNHL-MRVPVSSYSA-N 1 2 196.225 1.446 20 0 ADADLO CNc1cc(N(C)C2CCC2)nc[nH+]1 128057095 697641281 /nfs/dbraw/zinc/64/12/81/697641281.db2.gz AHRSIHDYMXOLCL-UHFFFAOYSA-N 1 2 192.266 1.507 20 0 ADADLO CNc1cc(N(C)C2CCC2)[nH+]cn1 128057095 697641286 /nfs/dbraw/zinc/64/12/86/697641286.db2.gz AHRSIHDYMXOLCL-UHFFFAOYSA-N 1 2 192.266 1.507 20 0 ADADLO Cc1cc(C)c(C(N)=O)c(C)[nH+]1 147312387 697653613 /nfs/dbraw/zinc/65/36/13/697653613.db2.gz OSAWEVUOWNDWAA-UHFFFAOYSA-N 1 2 164.208 1.106 20 0 ADADLO c1cnc(COc2cc[nH+]cc2)nc1 202023800 697681979 /nfs/dbraw/zinc/68/19/79/697681979.db2.gz CXGQOMYXHQMVDG-UHFFFAOYSA-N 1 2 187.202 1.451 20 0 ADADLO C[C@H](O)C[N@H+](C)C/C(Cl)=C\Cl 211394613 697682769 /nfs/dbraw/zinc/68/27/69/697682769.db2.gz NRKIUYOVKBWDMZ-CFYVXFRNSA-N 1 2 198.093 1.618 20 0 ADADLO C[C@H](O)C[N@@H+](C)C/C(Cl)=C\Cl 211394613 697682774 /nfs/dbraw/zinc/68/27/74/697682774.db2.gz NRKIUYOVKBWDMZ-CFYVXFRNSA-N 1 2 198.093 1.618 20 0 ADADLO CCOC(=O)[C@@H](C)[NH2+]CC1(C)CC1 224399457 697688482 /nfs/dbraw/zinc/68/84/82/697688482.db2.gz ZJSJKNREGXXRMZ-MRVPVSSYSA-N 1 2 185.267 1.328 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+]CC1(C)CC1 224399502 697688595 /nfs/dbraw/zinc/68/85/95/697688595.db2.gz ZJSJKNREGXXRMZ-QMMMGPOBSA-N 1 2 185.267 1.328 20 0 ADADLO CCCOCc1nc(C[NH2+]CC)no1 225427724 697690144 /nfs/dbraw/zinc/69/01/44/697690144.db2.gz BYCWGZLVGWLYLD-UHFFFAOYSA-N 1 2 199.254 1.106 20 0 ADADLO C[N@H+](CCCCCCO)CC(F)F 226837929 697695009 /nfs/dbraw/zinc/69/50/09/697695009.db2.gz FVJJWQGLQCANKO-UHFFFAOYSA-N 1 2 195.253 1.736 20 0 ADADLO C[N@@H+](CCCCCCO)CC(F)F 226837929 697695014 /nfs/dbraw/zinc/69/50/14/697695014.db2.gz FVJJWQGLQCANKO-UHFFFAOYSA-N 1 2 195.253 1.736 20 0 ADADLO C[S@](=O)CCCNc1cccc[nH+]1 227277271 697695902 /nfs/dbraw/zinc/69/59/02/697695902.db2.gz 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/nfs/dbraw/zinc/77/47/96/697774796.db2.gz ZXDVHXBNZZQTKZ-UHFFFAOYSA-N 1 2 194.234 1.363 20 0 ADADLO Cc1occc1C[NH2+]Cc1cnc[nH]1 321566547 697777678 /nfs/dbraw/zinc/77/76/78/697777678.db2.gz NDFLBSNGUWKKCQ-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO Cc1cc(C[NH2+]C/C=C\Cl)no1 379310911 697804533 /nfs/dbraw/zinc/80/45/33/697804533.db2.gz CWBAMGTXDRVBCD-IHWYPQMZSA-N 1 2 186.642 1.825 20 0 ADADLO CC[C@@H]1COCC[N@@H+]1C/C=C\Cl 379313582 697807656 /nfs/dbraw/zinc/80/76/56/697807656.db2.gz IMOAKLUYDJECHG-ZBJFTSOASA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@@H]1COCC[N@H+]1C/C=C\Cl 379313582 697807663 /nfs/dbraw/zinc/80/76/63/697807663.db2.gz IMOAKLUYDJECHG-ZBJFTSOASA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@H]1COCC[N@@H+]1C/C=C\Cl 379313581 697807834 /nfs/dbraw/zinc/80/78/34/697807834.db2.gz IMOAKLUYDJECHG-TYRPZCRBSA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@H]1COCC[N@H+]1C/C=C\Cl 379313581 697807839 /nfs/dbraw/zinc/80/78/39/697807839.db2.gz IMOAKLUYDJECHG-TYRPZCRBSA-N 1 2 189.686 1.850 20 0 ADADLO 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/nfs/dbraw/zinc/33/20/16/343332016.db2.gz STTMNKVVPGQDSF-UHFFFAOYSA-N 1 2 163.224 1.607 20 0 ADADLO Cc1nc(N[C@H]2CC2(C)C)cc[nH+]1 54936417 343332327 /nfs/dbraw/zinc/33/23/27/343332327.db2.gz ZCTHTLOVSOIIRK-QMMMGPOBSA-N 1 2 177.251 1.995 20 0 ADADLO Cc1nc(NCc2cc[nH]n2)cc[nH+]1 54936126 343332357 /nfs/dbraw/zinc/33/23/57/343332357.db2.gz FOPUDHFFJDITKJ-UHFFFAOYSA-N 1 2 189.222 1.120 20 0 ADADLO Cc1nc(N)c2c(C)cccc2[nH+]1 59072668 343341764 /nfs/dbraw/zinc/34/17/64/343341764.db2.gz DBMMUCPRSCZDSF-UHFFFAOYSA-N 1 2 173.219 1.829 20 0 ADADLO CCSCCn1cc[nH+]c1 59601907 343346170 /nfs/dbraw/zinc/34/61/70/343346170.db2.gz WNMZZTWZWOURBS-UHFFFAOYSA-N 1 2 156.254 1.636 20 0 ADADLO Cc1ccc(C[NH+]2CCOCC2)nc1 60090192 343350597 /nfs/dbraw/zinc/35/05/97/343350597.db2.gz NWZGHEDTQILENR-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO CCC(=O)NCCCCn1cc[nH+]c1 70227672 343482685 /nfs/dbraw/zinc/48/26/85/343482685.db2.gz FSBYNSYNLKQMDE-UHFFFAOYSA-N 1 2 195.266 1.190 20 0 ADADLO CCCCNC(=O)NCc1[nH]cc[nH+]1 70819912 343533451 /nfs/dbraw/zinc/53/34/51/343533451.db2.gz ZXIYEKHFJPWBPH-UHFFFAOYSA-N 1 2 196.254 1.009 20 0 ADADLO Cc1ccncc1NCc1[nH]cc[nH+]1 70958654 343544933 /nfs/dbraw/zinc/54/49/33/343544933.db2.gz IMWCMMOQWWIBCU-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO Cc1cc(NC(=O)C(C)C)cc[nH+]1 74932046 343575107 /nfs/dbraw/zinc/57/51/07/343575107.db2.gz ZFUFDRPPCVEIHX-UHFFFAOYSA-N 1 2 178.235 1.985 20 0 ADADLO COCC[C@H](C)Nc1cc[nH+]c(C)n1 81717243 343594203 /nfs/dbraw/zinc/59/42/03/343594203.db2.gz ZBXPKVCINVCQBY-QMMMGPOBSA-N 1 2 195.266 1.622 20 0 ADADLO CC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 82274753 343597575 /nfs/dbraw/zinc/59/75/75/343597575.db2.gz RLWWQXNBGHHZLK-SECBINFHSA-N 1 2 193.250 1.007 20 0 ADADLO CC(C)C(=O)N[C@@H](C)c1[nH+]ccn1C 82275755 343598109 /nfs/dbraw/zinc/59/81/09/343598109.db2.gz QXWJLJACGMQNLZ-QMMMGPOBSA-N 1 2 195.266 1.253 20 0 ADADLO CC(C)C(=O)N[C@H](C)c1[nH+]ccn1C 82275756 343598130 /nfs/dbraw/zinc/59/81/30/343598130.db2.gz QXWJLJACGMQNLZ-MRVPVSSYSA-N 1 2 195.266 1.253 20 0 ADADLO COCC[C@H](C)Nc1cccc[nH+]1 82367294 343599166 /nfs/dbraw/zinc/59/91/66/343599166.db2.gz OORHOLJTESEWIE-VIFPVBQESA-N 1 2 180.251 1.919 20 0 ADADLO CC(C)[C@H](C)NC(=O)Cn1cc[nH+]c1 82432656 343604370 /nfs/dbraw/zinc/60/43/70/343604370.db2.gz HRYRKDIQRIGRAQ-VIFPVBQESA-N 1 2 195.266 1.044 20 0 ADADLO CCCN(CCC)c1cc(N)nc[nH+]1 83824867 343625066 /nfs/dbraw/zinc/62/50/66/343625066.db2.gz CHYLGUVPVQJJCH-UHFFFAOYSA-N 1 2 194.282 1.685 20 0 ADADLO O=C(NCc1c[nH]c[nH+]1)C1CCCC1 84081633 343630543 /nfs/dbraw/zinc/63/05/43/343630543.db2.gz HZTUUBSFLHPJCR-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CCCCCC(=O)NCc1c[nH]c[nH+]1 84081699 343630601 /nfs/dbraw/zinc/63/06/01/343630601.db2.gz GMHIREDZWCYNHP-UHFFFAOYSA-N 1 2 195.266 1.606 20 0 ADADLO CCCCC(=O)NCc1c[nH]c[nH+]1 84081596 343630656 /nfs/dbraw/zinc/63/06/56/343630656.db2.gz PZSMLBCKYOMQCC-UHFFFAOYSA-N 1 2 181.239 1.216 20 0 ADADLO Cc1nc(NC[C@H](C)CCO)cc[nH+]1 85132403 343639618 /nfs/dbraw/zinc/63/96/18/343639618.db2.gz KJRCSRISNYIMPO-MRVPVSSYSA-N 1 2 195.266 1.215 20 0 ADADLO CCC(=O)CCC[NH+]1CCOCC1 86352989 343651520 /nfs/dbraw/zinc/65/15/20/343651520.db2.gz PEZZVWURPYJSAJ-UHFFFAOYSA-N 1 2 185.267 1.078 20 0 ADADLO Cc1cc[nH+]cc1N[C@@H]1CCO[C@H]1C 96034094 343694240 /nfs/dbraw/zinc/69/42/40/343694240.db2.gz LCCUMZKZDNAVDX-VHSXEESVSA-N 1 2 192.262 1.979 20 0 ADADLO CSC[C@H](C)Nc1cc(C)[nH+]cn1 124746156 343787755 /nfs/dbraw/zinc/78/77/55/343787755.db2.gz QSORQYAVEMLJGU-QMMMGPOBSA-N 1 2 197.307 1.948 20 0 ADADLO CSC[C@H](C)[NH2+]Cc1ccn[nH]1 124986060 343788281 /nfs/dbraw/zinc/78/82/81/343788281.db2.gz YVYUFSVBKUZGJN-ZETCQYMHSA-N 1 2 185.296 1.251 20 0 ADADLO Cc1c[nH+]cc(N[C@H]2CCOC2)c1 125094743 343788912 /nfs/dbraw/zinc/78/89/12/343788912.db2.gz GRWKCQZQMPFQQR-VIFPVBQESA-N 1 2 178.235 1.591 20 0 ADADLO Cc1nc(NC[C@H](O)C(C)C)cc[nH+]1 127205567 343807322 /nfs/dbraw/zinc/80/73/22/343807322.db2.gz CCRSJKVHVCOSQE-VIFPVBQESA-N 1 2 195.266 1.214 20 0 ADADLO Cc1nc(NC[C@@H](O)C(C)C)cc[nH+]1 127205762 343807327 /nfs/dbraw/zinc/80/73/27/343807327.db2.gz CCRSJKVHVCOSQE-SECBINFHSA-N 1 2 195.266 1.214 20 0 ADADLO CC[C@H](CCO)Nc1cc[nH+]c(C)n1 127206876 343807377 /nfs/dbraw/zinc/80/73/77/343807377.db2.gz PQUISWIKZAPDLM-SECBINFHSA-N 1 2 195.266 1.358 20 0 ADADLO CC1(C)[C@H](O)C[C@H]1Nc1cccc[nH+]1 129672707 343854704 /nfs/dbraw/zinc/85/47/04/343854704.db2.gz ULNWCQVZWIAVJU-RKDXNWHRSA-N 1 2 192.262 1.653 20 0 ADADLO CC1(C)[C@@H](O)C[C@@H]1Nc1cccc[nH+]1 129672527 343854720 /nfs/dbraw/zinc/85/47/20/343854720.db2.gz ULNWCQVZWIAVJU-IUCAKERBSA-N 1 2 192.262 1.653 20 0 ADADLO C[C@H](C[S@](C)=O)Nc1cccc[nH+]1 131270717 343883514 /nfs/dbraw/zinc/88/35/14/343883514.db2.gz NNMZQHPCDIZPAV-AMIZOPFISA-N 1 2 198.291 1.261 20 0 ADADLO C[C@@H](C[S@](C)=O)Nc1cccc[nH+]1 131270489 343883516 /nfs/dbraw/zinc/88/35/16/343883516.db2.gz NNMZQHPCDIZPAV-ISVAXAHUSA-N 1 2 198.291 1.261 20 0 ADADLO Cc1cc(N)nc(SCC2CC2)[nH+]1 132225936 343895592 /nfs/dbraw/zinc/89/55/92/343895592.db2.gz GUBPRAMZZYREKE-UHFFFAOYSA-N 1 2 195.291 1.869 20 0 ADADLO Brc1nccc2[nH+]ccn12 82384700 166009224 /nfs/dbraw/zinc/00/92/24/166009224.db2.gz HCRAJZINPXGYEV-UHFFFAOYSA-N 1 2 198.023 1.492 20 0 ADADLO C/C(Cl)=C\C[NH+]1CCOCC1 108582157 166057609 /nfs/dbraw/zinc/05/76/09/166057609.db2.gz YVLRODSZQFGBAV-KRXBUXKQSA-N 1 2 175.659 1.461 20 0 ADADLO C/C=C(\C)c1nc(C[NH2+]C)no1 334851366 166059190 /nfs/dbraw/zinc/05/91/90/166059190.db2.gz AYBPARISFXNPMO-GQCTYLIASA-N 1 2 167.212 1.212 20 0 ADADLO C1=C(CNc2cccc[nH+]2)COCC1 124657407 166071509 /nfs/dbraw/zinc/07/15/09/166071509.db2.gz BFEQZNCOTSJQSE-UHFFFAOYSA-N 1 2 190.246 1.840 20 0 ADADLO C1=CO[C@H](C[NH2+]Cc2ccn[nH]2)CC1 50269515 166078124 /nfs/dbraw/zinc/07/81/24/166078124.db2.gz KICCZMUWZCAGNH-JTQLQIEISA-N 1 2 193.250 1.192 20 0 ADADLO C1=Cc2[nH+]ccn2CC1 38809830 166081605 /nfs/dbraw/zinc/08/16/05/166081605.db2.gz GPJOBHUPSQXNRQ-UHFFFAOYSA-N 1 2 120.155 1.300 20 0 ADADLO C1CC[NH+](Cc2noc(C3CC3)n2)C1 334173635 166092301 /nfs/dbraw/zinc/09/23/01/166092301.db2.gz ASUNAWSDEIGGHE-UHFFFAOYSA-N 1 2 193.250 1.543 20 0 ADADLO C1CC[NH+](Cc2nc(C3CC3)no2)C1 335306576 166092765 /nfs/dbraw/zinc/09/27/65/166092765.db2.gz HELMYBWQLXLBHR-UHFFFAOYSA-N 1 2 193.250 1.543 20 0 ADADLO C=CC(=O)Nc1ccc[nH+]c1N(C)C 37006307 166158193 /nfs/dbraw/zinc/15/81/93/166158193.db2.gz GZKYTVWFNDLJGP-UHFFFAOYSA-N 1 2 191.234 1.272 20 0 ADADLO C=Cn1cc(C[N@H+]2CC[C@H](F)C2)cn1 335407817 166224482 /nfs/dbraw/zinc/22/44/82/166224482.db2.gz VXHLYJNGFQAGTO-JTQLQIEISA-N 1 2 195.241 1.527 20 0 ADADLO C=Cn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 335407817 166224483 /nfs/dbraw/zinc/22/44/83/166224483.db2.gz VXHLYJNGFQAGTO-JTQLQIEISA-N 1 2 195.241 1.527 20 0 ADADLO C=Cn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 335407818 166224487 /nfs/dbraw/zinc/22/44/87/166224487.db2.gz VXHLYJNGFQAGTO-SNVBAGLBSA-N 1 2 195.241 1.527 20 0 ADADLO C=Cn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 335407818 166224488 /nfs/dbraw/zinc/22/44/88/166224488.db2.gz VXHLYJNGFQAGTO-SNVBAGLBSA-N 1 2 195.241 1.527 20 0 ADADLO C=Cc1[nH]cc[nH+]1 13952161 166224680 /nfs/dbraw/zinc/22/46/80/166224680.db2.gz MLMGJTAJUDSUKA-UHFFFAOYSA-N 1 2 94.117 1.053 20 0 ADADLO C=Cc1[nH+]ccn1C 32133871 166224786 /nfs/dbraw/zinc/22/47/86/166224786.db2.gz PZBASOPBSCAZSR-UHFFFAOYSA-N 1 2 108.144 1.063 20 0 ADADLO CC(=O)C[N@@H+](C)Cc1ccccn1 50134199 166243256 /nfs/dbraw/zinc/24/32/56/166243256.db2.gz XDUODHPZMPSBLX-UHFFFAOYSA-N 1 2 178.235 1.102 20 0 ADADLO CC(=O)C[N@H+](C)Cc1ccccn1 50134199 166243261 /nfs/dbraw/zinc/24/32/61/166243261.db2.gz XDUODHPZMPSBLX-UHFFFAOYSA-N 1 2 178.235 1.102 20 0 ADADLO CC(=O)C[N@@H+]1CCc2sccc2C1 50132320 166243544 /nfs/dbraw/zinc/24/35/44/166243544.db2.gz OKUKWIGOHNIULN-UHFFFAOYSA-N 1 2 195.287 1.695 20 0 ADADLO CC(=O)C[N@H+]1CCc2sccc2C1 50132320 166243548 /nfs/dbraw/zinc/24/35/48/166243548.db2.gz OKUKWIGOHNIULN-UHFFFAOYSA-N 1 2 195.287 1.695 20 0 ADADLO CC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 45699142 166244938 /nfs/dbraw/zinc/24/49/38/166244938.db2.gz MKBUNUKSWYZCEG-SECBINFHSA-N 1 2 185.267 1.075 20 0 ADADLO CC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 45699142 166244943 /nfs/dbraw/zinc/24/49/43/166244943.db2.gz MKBUNUKSWYZCEG-SECBINFHSA-N 1 2 185.267 1.075 20 0 ADADLO CC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 45699145 166245287 /nfs/dbraw/zinc/24/52/87/166245287.db2.gz MKBUNUKSWYZCEG-VIFPVBQESA-N 1 2 185.267 1.075 20 0 ADADLO CC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 45699145 166245289 /nfs/dbraw/zinc/24/52/89/166245289.db2.gz MKBUNUKSWYZCEG-VIFPVBQESA-N 1 2 185.267 1.075 20 0 ADADLO CC(=O)Cc1c[nH+]c2ccccn12 79065244 166249105 /nfs/dbraw/zinc/24/91/05/166249105.db2.gz GBILCNWEPWIBCH-UHFFFAOYSA-N 1 2 174.203 1.466 20 0 ADADLO CC(=O)Nc1ccc(C)[nH+]c1C 5330674 166284075 /nfs/dbraw/zinc/28/40/75/166284075.db2.gz ONKGMAPAVPMOAC-UHFFFAOYSA-N 1 2 164.208 1.657 20 0 ADADLO CC(=O)Nc1c[nH+]c2n1CCCC2 334698330 166284938 /nfs/dbraw/zinc/28/49/38/166284938.db2.gz YQAFUFUJBARKRM-UHFFFAOYSA-N 1 2 179.223 1.178 20 0 ADADLO C[C@H]1OCC[C@@H]1[NH2+]CC(F)F 133240217 343913846 /nfs/dbraw/zinc/91/38/46/343913846.db2.gz OIGYGOBJDHQCSB-RITPCOANSA-N 1 2 165.183 1.019 20 0 ADADLO CC(=O)Nc1ccn2cc[nH+]c2c1 306545768 166286204 /nfs/dbraw/zinc/28/62/04/166286204.db2.gz WAKSMECZSAFIIW-UHFFFAOYSA-N 1 2 175.191 1.293 20 0 ADADLO CC(=O)Nc1nc(C[NH+](C)C)cs1 113539744 166287165 /nfs/dbraw/zinc/28/71/65/166287165.db2.gz XBWPUPBLCWESMS-UHFFFAOYSA-N 1 2 199.279 1.163 20 0 ADADLO CC(=O)c1cccc2[nH+]ccn12 82850179 166328589 /nfs/dbraw/zinc/32/85/89/166328589.db2.gz WIEWMQRUZCIQCE-UHFFFAOYSA-N 1 2 160.176 1.537 20 0 ADADLO CC(C)(C)C(=O)NCc1[nH]cc[nH+]1 74828017 166345090 /nfs/dbraw/zinc/34/50/90/166345090.db2.gz PKFUHVKLVOJLIK-UHFFFAOYSA-N 1 2 181.239 1.072 20 0 ADADLO CC(C)(C)C(=O)Nc1ccc(N)[nH+]c1 61680390 166346953 /nfs/dbraw/zinc/34/69/53/166346953.db2.gz PXYXOUDMFLCKNJ-UHFFFAOYSA-N 1 2 193.250 1.648 20 0 ADADLO CC(C)(C)CC[C@H]([NH3+])c1cnn[nH]1 87600145 166352052 /nfs/dbraw/zinc/35/20/52/166352052.db2.gz JOYDGIQDIGHICR-ZETCQYMHSA-N 1 2 182.271 1.631 20 0 ADADLO CC(C)(C)CC[C@@H]([NH3+])c1cnn[nH]1 87600147 166352390 /nfs/dbraw/zinc/35/23/90/166352390.db2.gz JOYDGIQDIGHICR-SSDOTTSWSA-N 1 2 182.271 1.631 20 0 ADADLO CC(C)(C)Cc1cc(N)nc[nH+]1 44262482 166357814 /nfs/dbraw/zinc/35/78/14/166357814.db2.gz FHAQRKXQBQYNNS-UHFFFAOYSA-N 1 2 165.240 1.647 20 0 ADADLO CC(C)(C)OC(=O)Cn1cc[nH+]c1 136956910 166369298 /nfs/dbraw/zinc/36/92/98/166369298.db2.gz NJTQVAPCYWXKDR-UHFFFAOYSA-N 1 2 182.223 1.225 20 0 ADADLO CC(C)(C)Oc1ccc(N)[nH+]c1 20507025 166374332 /nfs/dbraw/zinc/37/43/32/166374332.db2.gz NOHLQXTVWYUECU-UHFFFAOYSA-N 1 2 166.224 1.841 20 0 ADADLO CC(C)(CO)CNc1cccc[nH+]1 82711365 166396657 /nfs/dbraw/zinc/39/66/57/166396657.db2.gz CXKBVRWFSSUCJU-UHFFFAOYSA-N 1 2 180.251 1.512 20 0 ADADLO CC(C)c1noc(C[NH+]2CCCC2)n1 335307119 166648940 /nfs/dbraw/zinc/64/89/40/166648940.db2.gz OIIBHSUUDZOXBZ-UHFFFAOYSA-N 1 2 195.266 1.789 20 0 ADADLO CC1(C(=O)Nc2ccc(N)[nH+]c2)CC1 307530837 166662919 /nfs/dbraw/zinc/66/29/19/166662919.db2.gz RZKIMVMYNIQGMU-UHFFFAOYSA-N 1 2 191.234 1.402 20 0 ADADLO CC1(C)CN(c2cccc[nH+]2)C[C@H]1O 306835657 166683175 /nfs/dbraw/zinc/68/31/75/166683175.db2.gz STNWQPASPXFPHX-SECBINFHSA-N 1 2 192.262 1.289 20 0 ADADLO CCC1(C)C[NH+](Cc2cn(C)nn2)C1 335916939 166805477 /nfs/dbraw/zinc/80/54/77/166805477.db2.gz GGWFPALBVSEJCL-UHFFFAOYSA-N 1 2 194.282 1.047 20 0 ADADLO CCC1=[NH+]CCn2cccc21 39079874 166811321 /nfs/dbraw/zinc/81/13/21/166811321.db2.gz MCXZHQYCAALTRZ-UHFFFAOYSA-N 1 2 148.209 1.701 20 0 ADADLO CCCNc1cc(CC)[nH+]cn1 40764992 167006459 /nfs/dbraw/zinc/00/64/59/167006459.db2.gz JHXGWXIZYKZROU-UHFFFAOYSA-N 1 2 165.240 1.861 20 0 ADADLO CCCOc1ccc(N)[nH+]c1 37024549 167019868 /nfs/dbraw/zinc/01/98/68/167019868.db2.gz YFFHQSIIVNBIGD-UHFFFAOYSA-N 1 2 152.197 1.453 20 0 ADADLO CCCSc1nc(N)cc(C)[nH+]1 106023222 167025902 /nfs/dbraw/zinc/02/59/02/167025902.db2.gz UUZBQJZUEVVVAQ-UHFFFAOYSA-N 1 2 183.280 1.869 20 0 ADADLO CCC[C@@H](C)c1nc(C[NH2+]C)no1 51848730 167037602 /nfs/dbraw/zinc/03/76/02/167037602.db2.gz PZWGGOMDTAOHBT-SSDOTTSWSA-N 1 2 183.255 1.693 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CC[N@H+]1CCOC[C@H]1c1ccc(C)o1 336341060 167216958 /nfs/dbraw/zinc/21/69/58/167216958.db2.gz YTQAIHGWJDPBSD-JTQLQIEISA-N 1 2 195.262 1.981 20 0 ADADLO CC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 336341061 167219243 /nfs/dbraw/zinc/21/92/43/167219243.db2.gz YTQAIHGWJDPBSD-SNVBAGLBSA-N 1 2 195.262 1.981 20 0 ADADLO CC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 336341061 167219245 /nfs/dbraw/zinc/21/92/45/167219245.db2.gz YTQAIHGWJDPBSD-SNVBAGLBSA-N 1 2 195.262 1.981 20 0 ADADLO CCNC(=O)Nc1cc[nH+]c(C)c1 306516870 167246153 /nfs/dbraw/zinc/24/61/53/167246153.db2.gz ZKOVPXFDNYFRTK-UHFFFAOYSA-N 1 2 179.223 1.531 20 0 ADADLO CCNC(=O)[C@@H](C)Nc1cccc[nH+]1 48322144 167247297 /nfs/dbraw/zinc/24/72/97/167247297.db2.gz VOLRYMAWMCTQLT-MRVPVSSYSA-N 1 2 193.250 1.018 20 0 ADADLO CCNC(=O)[C@H](C)Nc1cccc[nH+]1 48322146 167251070 /nfs/dbraw/zinc/25/10/70/167251070.db2.gz VOLRYMAWMCTQLT-QMMMGPOBSA-N 1 2 193.250 1.018 20 0 ADADLO CC[NH2+]Cc1noc(CCC(C)C)n1 51860790 167276404 /nfs/dbraw/zinc/27/64/04/167276404.db2.gz 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/nfs/dbraw/zinc/27/76/88/167277688.db2.gz WGZYJPKPDGIWPK-BQBZGAKWSA-N 1 2 181.239 1.303 20 0 ADADLO CC[NH2+]Cc1noc([C@@H](C)CC)n1 51860538 167277897 /nfs/dbraw/zinc/27/78/97/167277897.db2.gz KPGHTYVCABNCAL-ZETCQYMHSA-N 1 2 183.255 1.693 20 0 ADADLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]2C)n1 51860518 167278060 /nfs/dbraw/zinc/27/80/60/167278060.db2.gz WGZYJPKPDGIWPK-NKWVEPMBSA-N 1 2 181.239 1.303 20 0 ADADLO CC[NH2+]Cc1noc([C@@H]2C[C@H]2C)n1 51860521 167278207 /nfs/dbraw/zinc/27/82/07/167278207.db2.gz WGZYJPKPDGIWPK-RNFRBKRXSA-N 1 2 181.239 1.303 20 0 ADADLO CC[NH2+]Cc1noc(CC(C)(C)C)n1 51860545 167278251 /nfs/dbraw/zinc/27/82/51/167278251.db2.gz WAKMPDOUHSRSSM-UHFFFAOYSA-N 1 2 197.282 1.768 20 0 ADADLO CC[NH2+]Cc1noc([C@H](C)CC)n1 51860537 167279216 /nfs/dbraw/zinc/27/92/16/167279216.db2.gz KPGHTYVCABNCAL-SSDOTTSWSA-N 1 2 183.255 1.693 20 0 ADADLO CSCC[NH2+][C@H](C)c1cn[nH]c1C 134544050 343944930 /nfs/dbraw/zinc/94/49/30/343944930.db2.gz USKXRWGJLLEBMB-SSDOTTSWSA-N 1 2 199.323 1.732 20 0 ADADLO CC[NH2+]c1ccc(-n2cncn2)cc1 37768807 167306576 /nfs/dbraw/zinc/30/65/76/167306576.db2.gz SRPQPLONSQZTPH-UHFFFAOYSA-N 1 2 188.234 1.699 20 0 ADADLO CCNc1cc(CO)cc[nH+]1 52755343 167307718 /nfs/dbraw/zinc/30/77/18/167307718.db2.gz NQWCGMAKENVHPO-UHFFFAOYSA-N 1 2 152.197 1.006 20 0 ADADLO CCNc1cc[nH+]c(C)n1 45921683 167309076 /nfs/dbraw/zinc/30/90/76/167309076.db2.gz YVXGIXZOTDMWHF-UHFFFAOYSA-N 1 2 137.186 1.217 20 0 ADADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C1CC1 134540578 343944949 /nfs/dbraw/zinc/94/49/49/343944949.db2.gz XBBVJBCURAQHCW-ZCFIWIBFSA-N 1 2 165.240 1.531 20 0 ADADLO CCOC(=O)C[N@H+]1CC=C(C)CC1 57688780 167331839 /nfs/dbraw/zinc/33/18/39/167331839.db2.gz VLGCJSIELGMQSM-UHFFFAOYSA-N 1 2 183.251 1.202 20 0 ADADLO CCOC(=O)C[N@@H+]1CC=C(C)CC1 57688780 167331842 /nfs/dbraw/zinc/33/18/42/167331842.db2.gz VLGCJSIELGMQSM-UHFFFAOYSA-N 1 2 183.251 1.202 20 0 ADADLO CCOC(=O)C[N@H+](C)CC=C(C)C 50066540 167333513 /nfs/dbraw/zinc/33/35/13/167333513.db2.gz MVWOACDYYXCMRF-UHFFFAOYSA-N 1 2 185.267 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167394784 /nfs/dbraw/zinc/39/47/84/167394784.db2.gz JWNACIAJEFDVPU-MRVPVSSYSA-N 1 2 197.282 1.233 20 0 ADADLO CCOC[C@H](C)[NH2+]Cc1cn[nH]c1C 44691063 167396650 /nfs/dbraw/zinc/39/66/50/167396650.db2.gz JWNACIAJEFDVPU-QMMMGPOBSA-N 1 2 197.282 1.233 20 0 ADADLO CCOC[C@@H](C)Nc1cccc[nH+]1 44725919 167396997 /nfs/dbraw/zinc/39/69/97/167396997.db2.gz ZYDRWZPUFOOFDO-SECBINFHSA-N 1 2 180.251 1.919 20 0 ADADLO CCOC[C@H](C)Nc1cccc[nH+]1 44725920 167397935 /nfs/dbraw/zinc/39/79/35/167397935.db2.gz ZYDRWZPUFOOFDO-VIFPVBQESA-N 1 2 180.251 1.919 20 0 ADADLO CCOC[C@H](C)[NH2+]CC(F)F 44723489 167398274 /nfs/dbraw/zinc/39/82/74/167398274.db2.gz ZZISXTDQCQFSMJ-LURJTMIESA-N 1 2 167.199 1.266 20 0 ADADLO CC[C@@H]1COCC[N@@H+]1Cc1ccno1 334273054 167564077 /nfs/dbraw/zinc/56/40/77/167564077.db2.gz JVEFUDNAERQMNQ-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO CC[C@@H]1COCC[N@H+]1Cc1ccno1 334273054 167564078 /nfs/dbraw/zinc/56/40/78/167564078.db2.gz JVEFUDNAERQMNQ-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO CC[C@@H]1Nc2[nH+]cccc2NC1=O 68575290 167571492 /nfs/dbraw/zinc/57/14/92/167571492.db2.gz VNVUICGDHURYSF-LURJTMIESA-N 1 2 177.207 1.224 20 0 ADADLO CC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 306241305 167613250 /nfs/dbraw/zinc/61/32/50/167613250.db2.gz KVMYWGZHSPTUHE-LURJTMIESA-N 1 2 181.239 1.246 20 0 ADADLO CC[C@H]1Nc2[nH+]cccc2NC1=O 68575287 167700760 /nfs/dbraw/zinc/70/07/60/167700760.db2.gz VNVUICGDHURYSF-ZCFIWIBFSA-N 1 2 177.207 1.224 20 0 ADADLO C[NH+](C)Cc1nc(C2(C)CC2)no1 334896576 167845936 /nfs/dbraw/zinc/84/59/36/167845936.db2.gz RJRPOFTXKGYGEZ-UHFFFAOYSA-N 1 2 181.239 1.183 20 0 ADADLO C[NH+](C)Cc1nc(C2CCCC2)no1 336210171 167846906 /nfs/dbraw/zinc/84/69/06/167846906.db2.gz BPYDNZOUZMQKBL-UHFFFAOYSA-N 1 2 195.266 1.789 20 0 ADADLO CN(c1cccc[nH+]1)C1CC(O)C1 306483261 167892703 /nfs/dbraw/zinc/89/27/03/167892703.db2.gz MMKARKDFEFESBI-UHFFFAOYSA-N 1 2 178.235 1.041 20 0 ADADLO C[NH2+]Cc1noc([C@H]2CC[C@H](C)C2)n1 307398010 168024916 /nfs/dbraw/zinc/02/49/16/168024916.db2.gz SDHLKYMDPUCWJW-YUMQZZPRSA-N 1 2 195.266 1.693 20 0 ADADLO C[NH2+]Cc1noc([C@@H]2CC[C@H](C)C2)n1 307398008 168025394 /nfs/dbraw/zinc/02/53/94/168025394.db2.gz SDHLKYMDPUCWJW-JGVFFNPUSA-N 1 2 195.266 1.693 20 0 ADADLO C[NH2+]Cc1noc([C@@H]2CC[C@@H](C)C2)n1 307398007 168025492 /nfs/dbraw/zinc/02/54/92/168025492.db2.gz SDHLKYMDPUCWJW-HTQZYQBOSA-N 1 2 195.266 1.693 20 0 ADADLO C[NH2+]Cc1noc(C2CCCCC2)n1 51848632 168025687 /nfs/dbraw/zinc/02/56/87/168025687.db2.gz KNVMACWDZHEOOD-UHFFFAOYSA-N 1 2 195.266 1.837 20 0 ADADLO C[NH2+]Cc1noc([C@H]2CC=CCC2)n1 307046896 168026037 /nfs/dbraw/zinc/02/60/37/168026037.db2.gz ZBJNIJPTADXRKP-QMMMGPOBSA-N 1 2 193.250 1.613 20 0 ADADLO C[NH2+]Cc1noc(C2(F)CCCC2)n1 334833895 168026117 /nfs/dbraw/zinc/02/61/17/168026117.db2.gz VQIXSBYXGOEXMF-UHFFFAOYSA-N 1 2 199.229 1.528 20 0 ADADLO C[NH2+]Cc1noc(C2=CCCCC2)n1 334832565 168026183 /nfs/dbraw/zinc/02/61/83/168026183.db2.gz FDKYSXIYIMGUOQ-UHFFFAOYSA-N 1 2 193.250 1.746 20 0 ADADLO C[NH2+]Cc1noc([C@@H]2CC=CCC2)n1 307046895 168026247 /nfs/dbraw/zinc/02/62/47/168026247.db2.gz ZBJNIJPTADXRKP-MRVPVSSYSA-N 1 2 193.250 1.613 20 0 ADADLO C[NH2+]Cc1noc(C(C)(C)C)n1 48348376 168026453 /nfs/dbraw/zinc/02/64/53/168026453.db2.gz QJSYOUXINYLXCP-UHFFFAOYSA-N 1 2 169.228 1.087 20 0 ADADLO C[NH2+]Cc1noc(C2(C)CCC2)n1 307086959 168026664 /nfs/dbraw/zinc/02/66/64/168026664.db2.gz ZJQNQISSJYCZRY-UHFFFAOYSA-N 1 2 181.239 1.231 20 0 ADADLO C[NH2+]Cc1noc(C2=CCCC2)n1 306625833 168026838 /nfs/dbraw/zinc/02/68/38/168026838.db2.gz HLCQQDIWDFIYQH-UHFFFAOYSA-N 1 2 179.223 1.356 20 0 ADADLO C[NH2+]Cc1noc(C2=C(C)CCC2)n1 306532098 168027065 /nfs/dbraw/zinc/02/70/65/168027065.db2.gz GKTQENCJXSBYAU-UHFFFAOYSA-N 1 2 193.250 1.746 20 0 ADADLO C[NH2+]Cc1noc([C@H]2CC[C@@H](C)C2)n1 307398009 168027075 /nfs/dbraw/zinc/02/70/75/168027075.db2.gz SDHLKYMDPUCWJW-SFYZADRCSA-N 1 2 195.266 1.693 20 0 ADADLO C[NH2+]Cc1noc(C2CC(C)(C)C2)n1 334833825 168027330 /nfs/dbraw/zinc/02/73/30/168027330.db2.gz SRMHQSFLHDNMOV-UHFFFAOYSA-N 1 2 195.266 1.693 20 0 ADADLO C[NH2+]c1ccc(-n2cccn2)cc1 62796767 168065964 /nfs/dbraw/zinc/06/59/64/168065964.db2.gz QLTKLOUVCDWDGR-UHFFFAOYSA-N 1 2 173.219 1.914 20 0 ADADLO CNc1cc[nH+]c(C(C)C)n1 39103092 168068477 /nfs/dbraw/zinc/06/84/77/168068477.db2.gz VGFZYZVZFOIITP-UHFFFAOYSA-N 1 2 151.213 1.642 20 0 ADADLO CNc1cc[nH+]c(C(C)(C)C)n1 50852612 168069046 /nfs/dbraw/zinc/06/90/46/168069046.db2.gz HFMUISPELKPROQ-UHFFFAOYSA-N 1 2 165.240 1.816 20 0 ADADLO CNc1nc(C2CC2)[nH+]c2c1CCC2 50847517 168069441 /nfs/dbraw/zinc/06/94/41/168069441.db2.gz NHNZSIXSZBZJOH-UHFFFAOYSA-N 1 2 189.262 1.884 20 0 ADADLO CNc1nc(C)[nH+]c2c1CCCC2 50852050 168070853 /nfs/dbraw/zinc/07/08/53/168070853.db2.gz FOLQCEDAWCSINP-UHFFFAOYSA-N 1 2 177.251 1.706 20 0 ADADLO CNc1[nH+]c2c(O)cccc2n1C 34499844 168072885 /nfs/dbraw/zinc/07/28/85/168072885.db2.gz YUQDKHMXLDJERQ-UHFFFAOYSA-N 1 2 177.207 1.321 20 0 ADADLO COC(=[NH2+])c1ccc(F)cc1 34345821 168076570 /nfs/dbraw/zinc/07/65/70/168076570.db2.gz DQIDDKYASUXYIF-UHFFFAOYSA-N 1 2 153.156 1.797 20 0 ADADLO COC(=O)C[N@H+](C)CC=C(C)C 49900415 168088608 /nfs/dbraw/zinc/08/86/08/168088608.db2.gz RREMWTDCWYFNKP-UHFFFAOYSA-N 1 2 171.240 1.057 20 0 ADADLO COC(=O)C[N@@H+](C)CC=C(C)C 49900415 168088611 /nfs/dbraw/zinc/08/86/11/168088611.db2.gz RREMWTDCWYFNKP-UHFFFAOYSA-N 1 2 171.240 1.057 20 0 ADADLO COC(=O)C[N@H+](C)Cc1cccs1 35124513 168089594 /nfs/dbraw/zinc/08/95/94/168089594.db2.gz QOOUXIFXIHQGTL-UHFFFAOYSA-N 1 2 199.275 1.353 20 0 ADADLO COC(=O)C[N@@H+](C)Cc1cccs1 35124513 168089598 /nfs/dbraw/zinc/08/95/98/168089598.db2.gz QOOUXIFXIHQGTL-UHFFFAOYSA-N 1 2 199.275 1.353 20 0 ADADLO COC(=O)C[N@H+](C)Cc1ccccc1 20307192 168089723 /nfs/dbraw/zinc/08/97/23/168089723.db2.gz XGPJWCOFBAETGK-UHFFFAOYSA-N 1 2 193.246 1.291 20 0 ADADLO COC(=O)C[N@@H+](C)Cc1ccccc1 20307192 168089726 /nfs/dbraw/zinc/08/97/26/168089726.db2.gz XGPJWCOFBAETGK-UHFFFAOYSA-N 1 2 193.246 1.291 20 0 ADADLO COC(=O)[C@@H](c1ccccc1)[NH+](C)C 34752361 168109733 /nfs/dbraw/zinc/10/97/33/168109733.db2.gz ZPAQHSOIGTYZKM-SNVBAGLBSA-N 1 2 193.246 1.462 20 0 ADADLO COC(=O)[C@H](c1ccccc1)[NH+](C)C 32302067 168121066 /nfs/dbraw/zinc/12/10/66/168121066.db2.gz ZPAQHSOIGTYZKM-JTQLQIEISA-N 1 2 193.246 1.462 20 0 ADADLO COC1(C)C[NH+](Cc2ccoc2C)C1 335233421 168143067 /nfs/dbraw/zinc/14/30/67/168143067.db2.gz WTLFWZLBOIXRDO-UHFFFAOYSA-N 1 2 195.262 1.809 20 0 ADADLO COC1(C)C[NH+](Cc2occc2C)C1 334646703 168143102 /nfs/dbraw/zinc/14/31/02/168143102.db2.gz RZFWODIHYDHHHX-UHFFFAOYSA-N 1 2 195.262 1.809 20 0 ADADLO COC1(C)C[NH+](Cc2cccs2)C1 306715368 168143401 /nfs/dbraw/zinc/14/34/01/168143401.db2.gz SGUCKAUBENNIQC-UHFFFAOYSA-N 1 2 197.303 1.969 20 0 ADADLO COC1(C)C[NH+](Cc2cccnc2)C1 336083893 168143409 /nfs/dbraw/zinc/14/34/09/168143409.db2.gz FKPYUMWEENSUTM-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO COC1(C)C[NH+](Cc2ccccn2)C1 335735209 168143537 /nfs/dbraw/zinc/14/35/37/168143537.db2.gz YXEWZTLUAFUDCT-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO COC1(C)CN(c2cccc[nH+]2)C1 306510278 168143810 /nfs/dbraw/zinc/14/38/10/168143810.db2.gz CWJSLYXSOCXXNG-UHFFFAOYSA-N 1 2 178.235 1.307 20 0 ADADLO COC1(C)C[NH+](Cc2cccn2C)C1 334510512 168143995 /nfs/dbraw/zinc/14/39/95/168143995.db2.gz FDBLBWJUKHVXJS-UHFFFAOYSA-N 1 2 194.278 1.246 20 0 ADADLO COC1(C)C[NH+](Cc2cncs2)C1 306646228 168144057 /nfs/dbraw/zinc/14/40/57/168144057.db2.gz BVGPOLYDUWMMSV-UHFFFAOYSA-N 1 2 198.291 1.364 20 0 ADADLO COC1(C)C[NH+](Cc2ccncc2)C1 334511653 168144134 /nfs/dbraw/zinc/14/41/34/168144134.db2.gz OPELPVIRNSSYEB-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO COC1(C)C[NH+](Cc2ccc(C)o2)C1 336084975 168144156 /nfs/dbraw/zinc/14/41/56/168144156.db2.gz LZXZKWCPRUVWKG-UHFFFAOYSA-N 1 2 195.262 1.809 20 0 ADADLO COC1(C)C[NH+](Cc2ccsc2)C1 306214063 168144425 /nfs/dbraw/zinc/14/44/25/168144425.db2.gz YAFQFGVGGLXXLC-UHFFFAOYSA-N 1 2 197.303 1.969 20 0 ADADLO COC1(C[NH+]2CC(F)C2)CCCC1 306435122 168144477 /nfs/dbraw/zinc/14/44/77/168144477.db2.gz AXZLNMKUPOQKOG-UHFFFAOYSA-N 1 2 187.258 1.599 20 0 ADADLO COC1(C)C[NH+](Cc2ccco2)C1 307459535 168144498 /nfs/dbraw/zinc/14/44/98/168144498.db2.gz AMFLEYHGMXVICG-UHFFFAOYSA-N 1 2 181.235 1.500 20 0 ADADLO COC1CC(Nc2ccc[nH+]c2C)C1 221243942 168145659 /nfs/dbraw/zinc/14/56/59/168145659.db2.gz PLCQVEPZIMJTLC-UHFFFAOYSA-N 1 2 192.262 1.979 20 0 ADADLO COC1C[NH+](Cc2ccc(C)cn2)C1 334732688 168147073 /nfs/dbraw/zinc/14/70/73/168147073.db2.gz NWNOXVNVWUDMMW-UHFFFAOYSA-N 1 2 192.262 1.221 20 0 ADADLO COC1C[NH+](Cc2scnc2C)C1 334732632 168147193 /nfs/dbraw/zinc/14/71/93/168147193.db2.gz LUNRCMSBKITGLU-UHFFFAOYSA-N 1 2 198.291 1.282 20 0 ADADLO COC1C[NH+](Cc2ccncc2C)C1 334794036 168147213 /nfs/dbraw/zinc/14/72/13/168147213.db2.gz PLMYYGAXYYZLCL-UHFFFAOYSA-N 1 2 192.262 1.221 20 0 ADADLO COC1C[NH+](Cc2cccc(F)c2)C1 334228699 168147254 /nfs/dbraw/zinc/14/72/54/168147254.db2.gz OUCCMBSNHRZCKQ-UHFFFAOYSA-N 1 2 195.237 1.656 20 0 ADADLO COC1C[NH+](Cc2ccsc2C)C1 334741959 168147318 /nfs/dbraw/zinc/14/73/18/168147318.db2.gz VVQYIOCKQOGCRF-UHFFFAOYSA-N 1 2 197.303 1.887 20 0 ADADLO COC1C[NH+](Cc2c(C)noc2C)C1 335521012 168147347 /nfs/dbraw/zinc/14/73/47/168147347.db2.gz STQPUOBNFJNEAX-UHFFFAOYSA-N 1 2 196.250 1.122 20 0 ADADLO COC1C[NH+](Cc2ccco2)C1 334729034 168147457 /nfs/dbraw/zinc/14/74/57/168147457.db2.gz YWABMMJZBXNGJI-UHFFFAOYSA-N 1 2 167.208 1.110 20 0 ADADLO COC1C[NH+](Cc2occc2C)C1 334732793 168147480 /nfs/dbraw/zinc/14/74/80/168147480.db2.gz UBKZROPEDADWAA-UHFFFAOYSA-N 1 2 181.235 1.419 20 0 ADADLO COC1C[NH+](Cc2ccccc2F)C1 336587983 168147529 /nfs/dbraw/zinc/14/75/29/168147529.db2.gz LRFMSRLWKGIRKC-UHFFFAOYSA-N 1 2 195.237 1.656 20 0 ADADLO COCC(=O)Nc1c(C)cc[nH+]c1C 306824712 168149909 /nfs/dbraw/zinc/14/99/09/168149909.db2.gz UWBNDDQQAFOAKS-UHFFFAOYSA-N 1 2 194.234 1.283 20 0 ADADLO COCCCCNc1cc(C)[nH+]cn1 44659280 168155253 /nfs/dbraw/zinc/15/52/53/168155253.db2.gz MKBZRCMERJTHOB-UHFFFAOYSA-N 1 2 195.266 1.624 20 0 ADADLO COCCCNc1cc(C)[nH+]cn1 40727117 168156903 /nfs/dbraw/zinc/15/69/03/168156903.db2.gz VMCOKLZALQINAG-UHFFFAOYSA-N 1 2 181.239 1.233 20 0 ADADLO COCC[N@@H+]1CC[C@H](C)C(F)(F)C1 307411025 168162412 /nfs/dbraw/zinc/16/24/12/168162412.db2.gz PDBOXUJSTLSALI-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO COCC[N@H+]1CC[C@H](C)C(F)(F)C1 307411025 168162414 /nfs/dbraw/zinc/16/24/14/168162414.db2.gz PDBOXUJSTLSALI-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO COCC[N@@H+]1Cc2cccc(F)c2C1 334788004 168163281 /nfs/dbraw/zinc/16/32/81/168163281.db2.gz JPNNOLQHRNBIEP-UHFFFAOYSA-N 1 2 195.237 1.788 20 0 ADADLO COCC[N@H+]1Cc2cccc(F)c2C1 334788004 168163283 /nfs/dbraw/zinc/16/32/83/168163283.db2.gz JPNNOLQHRNBIEP-UHFFFAOYSA-N 1 2 195.237 1.788 20 0 ADADLO COCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 307411023 168164652 /nfs/dbraw/zinc/16/46/52/168164652.db2.gz PDBOXUJSTLSALI-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO COCC[N@H+]1CC[C@@H](C)C(F)(F)C1 307411023 168164655 /nfs/dbraw/zinc/16/46/55/168164655.db2.gz PDBOXUJSTLSALI-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO COCCOCCNc1cccc[nH+]1 44417356 168170338 /nfs/dbraw/zinc/17/03/38/168170338.db2.gz WDIIRPVWJHDXSG-UHFFFAOYSA-N 1 2 196.250 1.157 20 0 ADADLO COC[C@@H](C)CNc1cc(C)[nH+]cn1 41674394 168178560 /nfs/dbraw/zinc/17/85/60/168178560.db2.gz GPQZOJFEIJYJHH-QMMMGPOBSA-N 1 2 195.266 1.479 20 0 ADADLO COC[C@@H](C)CNc1cccc[nH+]1 44477471 168179483 /nfs/dbraw/zinc/17/94/83/168179483.db2.gz JQTBYQHTSXGRDA-VIFPVBQESA-N 1 2 180.251 1.776 20 0 ADADLO COC[C@@H](C)Nc1cc(C)[nH+]cn1 40727014 168180102 /nfs/dbraw/zinc/18/01/02/168180102.db2.gz ABGDQURMFGKJMO-MRVPVSSYSA-N 1 2 181.239 1.232 20 0 ADADLO COC[C@@H](C)[N@@H+]1CCC(F)(F)C1 335585835 168180127 /nfs/dbraw/zinc/18/01/27/168180127.db2.gz CRMUSGPRGKFCFK-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO COC[C@@H](C)[N@H+]1CCC(F)(F)C1 335585835 168180128 /nfs/dbraw/zinc/18/01/28/168180128.db2.gz CRMUSGPRGKFCFK-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO COC[C@@H](C)Nc1c[nH+]ccc1C 70958532 168182188 /nfs/dbraw/zinc/18/21/88/168182188.db2.gz YLGXHZLMEKUIQG-SECBINFHSA-N 1 2 180.251 1.837 20 0 ADADLO COC[C@@H](C)Nc1cccc[nH+]1 20552489 168182336 /nfs/dbraw/zinc/18/23/36/168182336.db2.gz ROBNUXRPAFCUIR-MRVPVSSYSA-N 1 2 166.224 1.528 20 0 ADADLO COC[C@@H](C)Nc1cc[nH+]c(C)n1 54935663 168182579 /nfs/dbraw/zinc/18/25/79/168182579.db2.gz WNTSOMRHVFAVSB-SSDOTTSWSA-N 1 2 181.239 1.232 20 0 ADADLO COC[C@@H](C)Nc1ccc(C)[nH+]c1 96033353 168183769 /nfs/dbraw/zinc/18/37/69/168183769.db2.gz VIISVJANLOUYJS-SECBINFHSA-N 1 2 180.251 1.837 20 0 ADADLO COC[C@@H]1CCN(c2cccc[nH+]2)C1 334684732 168185654 /nfs/dbraw/zinc/18/56/54/168185654.db2.gz IHHJITLCMQQRNJ-SNVBAGLBSA-N 1 2 192.262 1.554 20 0 ADADLO COC[C@H](C)CNc1cccc[nH+]1 44477474 168187296 /nfs/dbraw/zinc/18/72/96/168187296.db2.gz JQTBYQHTSXGRDA-SECBINFHSA-N 1 2 180.251 1.776 20 0 ADADLO COC[C@H](C)[N@@H+]1CCC(F)(F)C1 335585836 168188354 /nfs/dbraw/zinc/18/83/54/168188354.db2.gz CRMUSGPRGKFCFK-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO COC[C@H](C)[N@H+]1CCC(F)(F)C1 335585836 168188355 /nfs/dbraw/zinc/18/83/55/168188355.db2.gz CRMUSGPRGKFCFK-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO COC[C@H](C)CNc1cc(C)[nH+]cn1 41674390 168188833 /nfs/dbraw/zinc/18/88/33/168188833.db2.gz GPQZOJFEIJYJHH-MRVPVSSYSA-N 1 2 195.266 1.479 20 0 ADADLO COC[C@H](C)Nc1cc(C)[nH+]cn1 40727012 168189004 /nfs/dbraw/zinc/18/90/04/168189004.db2.gz ABGDQURMFGKJMO-QMMMGPOBSA-N 1 2 181.239 1.232 20 0 ADADLO COC[C@H](C)Nc1ccc(C)[nH+]c1 96033352 168189274 /nfs/dbraw/zinc/18/92/74/168189274.db2.gz VIISVJANLOUYJS-VIFPVBQESA-N 1 2 180.251 1.837 20 0 ADADLO COC[C@H](C)Nc1c[nH+]ccc1C 70958529 168189285 /nfs/dbraw/zinc/18/92/85/168189285.db2.gz YLGXHZLMEKUIQG-VIFPVBQESA-N 1 2 180.251 1.837 20 0 ADADLO COC[C@H](C)Nc1cc[nH+]c(C)n1 54935660 168189642 /nfs/dbraw/zinc/18/96/42/168189642.db2.gz WNTSOMRHVFAVSB-ZETCQYMHSA-N 1 2 181.239 1.232 20 0 ADADLO COC[C@H](C)Nc1cccc[nH+]1 20552490 168190275 /nfs/dbraw/zinc/19/02/75/168190275.db2.gz ROBNUXRPAFCUIR-QMMMGPOBSA-N 1 2 166.224 1.528 20 0 ADADLO COC[C@H]1CCN(c2cccc[nH+]2)C1 334684731 168190866 /nfs/dbraw/zinc/19/08/66/168190866.db2.gz IHHJITLCMQQRNJ-JTQLQIEISA-N 1 2 192.262 1.554 20 0 ADADLO CO[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 335939818 168205869 /nfs/dbraw/zinc/20/58/69/168205869.db2.gz XVHRORNCXJLPFQ-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO CO[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 335939818 168205872 /nfs/dbraw/zinc/20/58/72/168205872.db2.gz XVHRORNCXJLPFQ-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO CO[C@@H]1CCC[N@H+](Cc2ccon2)C1 335939746 168206736 /nfs/dbraw/zinc/20/67/36/168206736.db2.gz RJWBTTDGNBHXGI-SNVBAGLBSA-N 1 2 196.250 1.285 20 0 ADADLO CO[C@@H]1CCC[N@@H+](Cc2ccon2)C1 335939746 168206739 /nfs/dbraw/zinc/20/67/39/168206739.db2.gz RJWBTTDGNBHXGI-SNVBAGLBSA-N 1 2 196.250 1.285 20 0 ADADLO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 50371106 168208060 /nfs/dbraw/zinc/20/80/60/168208060.db2.gz HPZMZLHPVHQYEN-NXEZZACHSA-N 1 2 195.266 1.067 20 0 ADADLO CO[C@@H]1CC[N@H+](Cc2cscn2)C1 306434582 168208775 /nfs/dbraw/zinc/20/87/75/168208775.db2.gz FHOJNAPORCYZHW-SECBINFHSA-N 1 2 198.291 1.364 20 0 ADADLO CO[C@@H]1CC[N@@H+](Cc2cscn2)C1 306434582 168208778 /nfs/dbraw/zinc/20/87/78/168208778.db2.gz FHOJNAPORCYZHW-SECBINFHSA-N 1 2 198.291 1.364 20 0 ADADLO CO[C@H](C)C[N@@H+]1CCC(F)(F)C1 335587767 168214071 /nfs/dbraw/zinc/21/40/71/168214071.db2.gz CQQZCDSLXKBBOU-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO CO[C@H](C)C[N@H+]1CCC(F)(F)C1 335587767 168214073 /nfs/dbraw/zinc/21/40/73/168214073.db2.gz CQQZCDSLXKBBOU-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO CO[C@H]1CC[N@H+](Cc2cscn2)C1 307755727 168216270 /nfs/dbraw/zinc/21/62/70/168216270.db2.gz FHOJNAPORCYZHW-VIFPVBQESA-N 1 2 198.291 1.364 20 0 ADADLO CO[C@H]1CC[N@@H+](Cc2cscn2)C1 307755727 168216273 /nfs/dbraw/zinc/21/62/73/168216273.db2.gz FHOJNAPORCYZHW-VIFPVBQESA-N 1 2 198.291 1.364 20 0 ADADLO CO[C@H]1CCC[N@H+](Cc2ccon2)C1 335939745 168217287 /nfs/dbraw/zinc/21/72/87/168217287.db2.gz RJWBTTDGNBHXGI-JTQLQIEISA-N 1 2 196.250 1.285 20 0 ADADLO CO[C@H]1CCC[N@@H+](Cc2ccon2)C1 335939745 168217289 /nfs/dbraw/zinc/21/72/89/168217289.db2.gz RJWBTTDGNBHXGI-JTQLQIEISA-N 1 2 196.250 1.285 20 0 ADADLO CO[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 335939820 168217499 /nfs/dbraw/zinc/21/74/99/168217499.db2.gz XVHRORNCXJLPFQ-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO CO[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 335939820 168217501 /nfs/dbraw/zinc/21/75/01/168217501.db2.gz XVHRORNCXJLPFQ-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO CO[C@H]1c2ccccc2CC[N@H+]1C 38350444 168221831 /nfs/dbraw/zinc/22/18/31/168221831.db2.gz LHBBWXGFVVODAM-NSHDSACASA-N 1 2 177.247 1.820 20 0 ADADLO CO[C@H]1c2ccccc2CC[N@@H+]1C 38350444 168221832 /nfs/dbraw/zinc/22/18/32/168221832.db2.gz LHBBWXGFVVODAM-NSHDSACASA-N 1 2 177.247 1.820 20 0 ADADLO COc1cc(Cn2cc[nH+]c2)ccn1 335858951 168234964 /nfs/dbraw/zinc/23/49/64/168234964.db2.gz ZGEHPUWFFBKUFS-UHFFFAOYSA-N 1 2 189.218 1.335 20 0 ADADLO COc1ccc(-c2[nH]cc[nH+]2)c(N)c1 82530199 168242084 /nfs/dbraw/zinc/24/20/84/168242084.db2.gz YGYIWOIDXXEHIX-UHFFFAOYSA-N 1 2 189.218 1.668 20 0 ADADLO COc1cc2ccc[nH+]c2cc1N 238404847 168242229 /nfs/dbraw/zinc/24/22/29/168242229.db2.gz BYFVCONCMWKRRW-UHFFFAOYSA-N 1 2 174.203 1.826 20 0 ADADLO COc1ccc(-c2[nH]cc[nH+]2)c(O)c1 95803069 168242745 /nfs/dbraw/zinc/24/27/45/168242745.db2.gz XEMKXKAQRUJHHV-UHFFFAOYSA-N 1 2 190.202 1.791 20 0 ADADLO COc1ccc(N)c2cc[nH+]cc12 34413626 168254179 /nfs/dbraw/zinc/25/41/79/168254179.db2.gz JGYFOOINAVAFBU-UHFFFAOYSA-N 1 2 174.203 1.826 20 0 ADADLO COC1C[NH+](Cc2ccc(C)s2)C1 334728347 168147662 /nfs/dbraw/zinc/14/76/62/168147662.db2.gz REPQNVFOJBAQRS-UHFFFAOYSA-N 1 2 197.303 1.887 20 0 ADADLO COC1CN(c2ccc([NH3+])cc2C)C1 95908472 168147702 /nfs/dbraw/zinc/14/77/02/168147702.db2.gz HOGDFGVTXDOZCQ-UHFFFAOYSA-N 1 2 192.262 1.412 20 0 ADADLO COC1C[NH+](Cc2ccoc2C)C1 334843307 168147779 /nfs/dbraw/zinc/14/77/79/168147779.db2.gz PFUKECQDTDMDFD-UHFFFAOYSA-N 1 2 181.235 1.419 20 0 ADADLO COC1C[NH+](Cc2cnc(C)s2)C1 336553668 168147790 /nfs/dbraw/zinc/14/77/90/168147790.db2.gz RMKAFQISDAKQLX-UHFFFAOYSA-N 1 2 198.291 1.282 20 0 ADADLO COc1ccc2c(N)c[nH+]cc2c1 39119802 168261847 /nfs/dbraw/zinc/26/18/47/168261847.db2.gz IXYCEIICKYICSY-UHFFFAOYSA-N 1 2 174.203 1.826 20 0 ADADLO COc1ccc2c(c1N)CCC[NH2+]2 90397917 168264331 /nfs/dbraw/zinc/26/43/31/168264331.db2.gz GGDFGBRDRUDOIW-UHFFFAOYSA-N 1 2 178.235 1.636 20 0 ADADLO COc1ccc2c(c1)[nH+]c(C)n2C 38282386 168265114 /nfs/dbraw/zinc/26/51/14/168265114.db2.gz NVNUBOSZEJYDHC-UHFFFAOYSA-N 1 2 176.219 1.890 20 0 ADADLO COc1cccc(-n2cc[nH+]c2)c1 59520498 168267120 /nfs/dbraw/zinc/26/71/20/168267120.db2.gz YZSKJBOVSBKCSY-UHFFFAOYSA-N 1 2 174.203 1.881 20 0 ADADLO COc1cccc2c(N)[nH+]ccc12 95761649 168274409 /nfs/dbraw/zinc/27/44/09/168274409.db2.gz AIRVMTOKPDSRBB-UHFFFAOYSA-N 1 2 174.203 1.826 20 0 ADADLO COc1ccc[nH+]c1N1CCCC1 211524742 168278039 /nfs/dbraw/zinc/27/80/39/168278039.db2.gz AJMFZIHXEBWHTP-UHFFFAOYSA-N 1 2 178.235 1.690 20 0 ADADLO COc1cc[nH+]cc1Cn1cccn1 306193583 168279402 /nfs/dbraw/zinc/27/94/02/168279402.db2.gz CQHDAWWDPPNKSG-UHFFFAOYSA-N 1 2 189.218 1.335 20 0 ADADLO COc1cc[nH+]cc1NC(=O)C(C)C 335939363 168279611 /nfs/dbraw/zinc/27/96/11/168279611.db2.gz FVFYRUSFPLVCFS-UHFFFAOYSA-N 1 2 194.234 1.685 20 0 ADADLO COc1cc[nH+]cc1CSC 307132091 168280118 /nfs/dbraw/zinc/28/01/18/168280118.db2.gz HIQONLNQHZMARW-UHFFFAOYSA-N 1 2 169.249 1.953 20 0 ADADLO COc1cc[nH+]cc1NC(=O)C1CC1 336381505 168280500 /nfs/dbraw/zinc/28/05/00/168280500.db2.gz VTSXGYANYKFIOI-UHFFFAOYSA-N 1 2 192.218 1.439 20 0 ADADLO COc1ccnc(Cn2cc[nH+]c2)c1 336373583 168280661 /nfs/dbraw/zinc/28/06/61/168280661.db2.gz FFAWQVAAFHVKQC-UHFFFAOYSA-N 1 2 189.218 1.335 20 0 ADADLO COc1cncc(Cn2cc[nH+]c2)c1 334477611 168281258 /nfs/dbraw/zinc/28/12/58/168281258.db2.gz PLACTIBFASVAAH-UHFFFAOYSA-N 1 2 189.218 1.335 20 0 ADADLO CSC1(C[NH+]2CC(F)C2)CCC1 306926872 168297728 /nfs/dbraw/zinc/29/77/28/168297728.db2.gz RJTBRXXIJKPCBY-UHFFFAOYSA-N 1 2 189.299 1.926 20 0 ADADLO CSCc1ccc[nH+]c1N 52756507 168304397 /nfs/dbraw/zinc/30/43/97/168304397.db2.gz ORJLJQVHABDUOD-UHFFFAOYSA-N 1 2 154.238 1.527 20 0 ADADLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCC2)C1 335825534 168324765 /nfs/dbraw/zinc/32/47/65/168324765.db2.gz BQGGPGPKAFYZFV-QMMMGPOBSA-N 1 2 198.266 1.165 20 0 ADADLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCC2)C1 335825534 168324768 /nfs/dbraw/zinc/32/47/68/168324768.db2.gz BQGGPGPKAFYZFV-QMMMGPOBSA-N 1 2 198.266 1.165 20 0 ADADLO C[C@@H](F)CCn1cc[nH+]c1 306185085 168356495 /nfs/dbraw/zinc/35/64/95/168356495.db2.gz MCGPTHINJZGLLC-SSDOTTSWSA-N 1 2 142.177 1.631 20 0 ADADLO C[C@@H](Cn1cccn1)[NH2+]CC(F)F 42539823 168356692 /nfs/dbraw/zinc/35/66/92/168356692.db2.gz UJVVTSQKWLVNLB-ZETCQYMHSA-N 1 2 189.209 1.126 20 0 ADADLO C[C@@H]([NH2+]CC(F)F)c1cccnc1 37755892 168380340 /nfs/dbraw/zinc/38/03/40/168380340.db2.gz UBKRCBNLXVQTGI-SSDOTTSWSA-N 1 2 186.205 1.997 20 0 ADADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 36900275 168383326 /nfs/dbraw/zinc/38/33/26/168383326.db2.gz MABHCECOAHAZTK-SCZZXKLOSA-N 1 2 195.266 1.067 20 0 ADADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccco1 36900355 168384543 /nfs/dbraw/zinc/38/45/43/168384543.db2.gz GONUEYRNONRETB-MRVPVSSYSA-N 1 2 191.234 1.854 20 0 ADADLO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 36900277 168384743 /nfs/dbraw/zinc/38/47/43/168384743.db2.gz MABHCECOAHAZTK-PSASIEDQSA-N 1 2 195.266 1.067 20 0 ADADLO C[C@@H](Nc1cccc[nH+]1)[C@H]1CCOC1 128640245 168386137 /nfs/dbraw/zinc/38/61/37/168386137.db2.gz RCCBBSOJENVOFI-ZJUUUORDSA-N 1 2 192.262 1.919 20 0 ADADLO C[C@@H](Nc1cccc[nH+]1)[C@@H]1CCOC1 128639819 168386183 /nfs/dbraw/zinc/38/61/83/168386183.db2.gz RCCBBSOJENVOFI-NXEZZACHSA-N 1 2 192.262 1.919 20 0 ADADLO C[C@@H](O)CC[N@@H+]1CCC(F)(F)C1 307120832 168389072 /nfs/dbraw/zinc/38/90/72/168389072.db2.gz ILIPWKLQBVGMGN-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@@H](O)CC[N@H+]1CCC(F)(F)C1 307120832 168389074 /nfs/dbraw/zinc/38/90/74/168389074.db2.gz ILIPWKLQBVGMGN-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@@H](O)CCCn1cc[nH+]c1 45620717 168389616 /nfs/dbraw/zinc/38/96/16/168389616.db2.gz FUBHKEKWPSXYGT-MRVPVSSYSA-N 1 2 154.213 1.044 20 0 ADADLO C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F 307177939 168391013 /nfs/dbraw/zinc/39/10/13/168391013.db2.gz IRQGDJHUAARGTM-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F 307177939 168391014 /nfs/dbraw/zinc/39/10/14/168391014.db2.gz IRQGDJHUAARGTM-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F 307702931 168392201 /nfs/dbraw/zinc/39/22/01/168392201.db2.gz QCXGAGDNGOOCHB-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)C[N@H+]1CCCC[C@@H]1C(F)F 307702931 168392203 /nfs/dbraw/zinc/39/22/03/168392203.db2.gz QCXGAGDNGOOCHB-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)C[N@@H+]1CCCC[C@H]1C(F)F 307702934 168392466 /nfs/dbraw/zinc/39/24/66/168392466.db2.gz QCXGAGDNGOOCHB-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)C[N@H+]1CCCC[C@H]1C(F)F 307702934 168392467 /nfs/dbraw/zinc/39/24/67/168392467.db2.gz QCXGAGDNGOOCHB-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 306765554 168394015 /nfs/dbraw/zinc/39/40/15/168394015.db2.gz VWAHMEGUKUJQGU-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 306765554 168394018 /nfs/dbraw/zinc/39/40/18/168394018.db2.gz VWAHMEGUKUJQGU-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO Cc1cc(C[NH2+][C@H]2CCC[C@H]2F)no1 334646045 168755686 /nfs/dbraw/zinc/75/56/86/168755686.db2.gz WGKZMZPNYKSTCD-ZJUUUORDSA-N 1 2 198.241 1.963 20 0 ADADLO Cc1cc(COc2cc[nH+]cc2)no1 336487493 168758225 /nfs/dbraw/zinc/75/82/25/168758225.db2.gz QNHFGFAJWXEEEG-UHFFFAOYSA-N 1 2 190.202 1.957 20 0 ADADLO Cc1cc(N2CCC(F)(F)C2)nc[nH+]1 334979279 168767713 /nfs/dbraw/zinc/76/77/13/168767713.db2.gz RCCSLTMTCGFSEV-UHFFFAOYSA-N 1 2 199.204 1.630 20 0 ADADLO Cc1cc(N[C@H](C)CF)nc[nH+]1 306395078 168771701 /nfs/dbraw/zinc/77/17/01/168771701.db2.gz FUQUHRYOUFNIJJ-SSDOTTSWSA-N 1 2 169.203 1.555 20 0 ADADLO Cc1noc(Cc2ccc(C)[nH+]c2)n1 334447564 168817841 /nfs/dbraw/zinc/81/78/41/168817841.db2.gz MPTRVRQDKQBDMN-UHFFFAOYSA-N 1 2 189.218 1.672 20 0 ADADLO Cc1nc(C[N@@H+](C)C(C)(C)C)no1 336133160 168939118 /nfs/dbraw/zinc/93/91/18/168939118.db2.gz SKPVNSOTISJSSW-UHFFFAOYSA-N 1 2 183.255 1.608 20 0 ADADLO Cc1nc(C[N@H+](C)C(C)(C)C)no1 336133160 168939120 /nfs/dbraw/zinc/93/91/20/168939120.db2.gz SKPVNSOTISJSSW-UHFFFAOYSA-N 1 2 183.255 1.608 20 0 ADADLO Cc1nc(N)c2cc(N)ccc2[nH+]1 104685072 168945064 /nfs/dbraw/zinc/94/50/64/168945064.db2.gz IVJNVMJPCBIFTA-UHFFFAOYSA-N 1 2 174.207 1.103 20 0 ADADLO Cc1nc(N2CC[C@H](C)C2)cc[nH+]1 306215230 168969415 /nfs/dbraw/zinc/96/94/15/168969415.db2.gz YWNFMVZCHRXIGV-QMMMGPOBSA-N 1 2 177.251 1.631 20 0 ADADLO Cc1[nH+]cccc1N[C@H]1CCO[C@H]1C 96034103 168971207 /nfs/dbraw/zinc/97/12/07/168971207.db2.gz NXZNURCFPIAALZ-ONGXEEELSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1nc(NCc2ccco2)cc[nH+]1 54935620 168972551 /nfs/dbraw/zinc/97/25/51/168972551.db2.gz XRMMONBDHAYWIT-UHFFFAOYSA-N 1 2 189.218 1.990 20 0 ADADLO Cc1nc(NC[C@H]2CCOC2)cc[nH+]1 54936048 168972586 /nfs/dbraw/zinc/97/25/86/168972586.db2.gz DGZZWDJNUQCHCA-SECBINFHSA-N 1 2 193.250 1.233 20 0 ADADLO Cc1[nH+]cn2ccsc12 39078427 168978805 /nfs/dbraw/zinc/97/88/05/168978805.db2.gz FTOWEVFXEVKPOK-UHFFFAOYSA-N 1 2 138.195 1.704 20 0 ADADLO Cc1ncsc1C[NH+]1CCOCC1 307751138 168979642 /nfs/dbraw/zinc/97/96/42/168979642.db2.gz MTSCXTQEXLXQTN-UHFFFAOYSA-N 1 2 198.291 1.284 20 0 ADADLO Cc1noc(Cc2ccc[nH+]c2C)n1 335313210 169002065 /nfs/dbraw/zinc/00/20/65/169002065.db2.gz IJTMIYIYKZEHBR-UHFFFAOYSA-N 1 2 189.218 1.672 20 0 ADADLO Cc1nocc1C[N@@H+]1CCO[C@@H](C)C1 334349121 169004450 /nfs/dbraw/zinc/00/44/50/169004450.db2.gz ZSGBWVRTOHSQFZ-QMMMGPOBSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1nocc1C[N@H+]1CCO[C@@H](C)C1 334349121 169004452 /nfs/dbraw/zinc/00/44/52/169004452.db2.gz ZSGBWVRTOHSQFZ-QMMMGPOBSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1nocc1C[N@@H+]1CC[C@@](C)(F)C1 336471694 169004500 /nfs/dbraw/zinc/00/45/00/169004500.db2.gz SRSAAKJTMHNPQC-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1nocc1C[N@H+]1CC[C@@](C)(F)C1 336471694 169004504 /nfs/dbraw/zinc/00/45/04/169004504.db2.gz SRSAAKJTMHNPQC-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1nocc1C[N@H+]1CCOC[C@H]1C 334326116 169005047 /nfs/dbraw/zinc/00/50/47/169005047.db2.gz LFFYVTUMFOPFQM-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1nocc1C[N@@H+]1CCOC[C@H]1C 334326116 169005048 /nfs/dbraw/zinc/00/50/48/169005048.db2.gz LFFYVTUMFOPFQM-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1nocc1C[N@@H+]1CC[C@](C)(F)C1 336471693 169005212 /nfs/dbraw/zinc/00/52/12/169005212.db2.gz SRSAAKJTMHNPQC-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1nocc1C[N@H+]1CC[C@](C)(F)C1 336471693 169005213 /nfs/dbraw/zinc/00/52/13/169005213.db2.gz SRSAAKJTMHNPQC-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1nocc1C[N@@H+]1CC[C@@H](F)C1 335406722 169005302 /nfs/dbraw/zinc/00/53/02/169005302.db2.gz NVUITXUCMKHKFY-SECBINFHSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1nocc1C[N@H+]1CC[C@@H](F)C1 335406722 169005303 /nfs/dbraw/zinc/00/53/03/169005303.db2.gz NVUITXUCMKHKFY-SECBINFHSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1nocc1C[N@@H+]1CCO[C@H](C)C1 334206582 169005632 /nfs/dbraw/zinc/00/56/32/169005632.db2.gz ZSGBWVRTOHSQFZ-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1nocc1C[N@H+]1CCO[C@H](C)C1 334206582 169005634 /nfs/dbraw/zinc/00/56/34/169005634.db2.gz ZSGBWVRTOHSQFZ-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1occc1C[NH+]1CCN(C)CC1 335260348 169011303 /nfs/dbraw/zinc/01/13/03/169011303.db2.gz GVGLLSCXALNEAQ-UHFFFAOYSA-N 1 2 194.278 1.335 20 0 ADADLO Cc1occc1C[N@@H+]1CCO[C@H](C)C1 334834884 169011956 /nfs/dbraw/zinc/01/19/56/169011956.db2.gz DVWQBBZNIIZMLY-SECBINFHSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1occc1C[N@H+]1CCO[C@H](C)C1 334834884 169011959 /nfs/dbraw/zinc/01/19/59/169011959.db2.gz DVWQBBZNIIZMLY-SECBINFHSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1occc1C[N@H+]1CCOC[C@@H]1C 334841477 169011982 /nfs/dbraw/zinc/01/19/82/169011982.db2.gz NKZIXTJXVOGNSY-VIFPVBQESA-N 1 2 195.262 1.809 20 0 ADADLO Cc1occc1C[N@@H+]1CCOC[C@@H]1C 334841477 169011984 /nfs/dbraw/zinc/01/19/84/169011984.db2.gz NKZIXTJXVOGNSY-VIFPVBQESA-N 1 2 195.262 1.809 20 0 ADADLO Cc1occc1C[N@H+]1CCOC[C@H]1C 334841475 169012019 /nfs/dbraw/zinc/01/20/19/169012019.db2.gz NKZIXTJXVOGNSY-SECBINFHSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1occc1C[N@@H+]1CCOC[C@H]1C 334841475 169012022 /nfs/dbraw/zinc/01/20/22/169012022.db2.gz NKZIXTJXVOGNSY-SECBINFHSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1occc1C[N@@H+]1CCO[C@@H](C)C1 334834885 169012141 /nfs/dbraw/zinc/01/21/41/169012141.db2.gz DVWQBBZNIIZMLY-VIFPVBQESA-N 1 2 195.262 1.809 20 0 ADADLO Cc1occc1C[N@H+]1CCO[C@@H](C)C1 334834885 169012145 /nfs/dbraw/zinc/01/21/45/169012145.db2.gz DVWQBBZNIIZMLY-VIFPVBQESA-N 1 2 195.262 1.809 20 0 ADADLO Cc1oncc1C[N@@H+]1CCO[C@@H](C)C1 334321759 169012433 /nfs/dbraw/zinc/01/24/33/169012433.db2.gz IHSAASFGGUKBPD-QMMMGPOBSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1oncc1C[N@H+]1CCO[C@@H](C)C1 334321759 169012434 /nfs/dbraw/zinc/01/24/34/169012434.db2.gz IHSAASFGGUKBPD-QMMMGPOBSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1oncc1C[N@H+]1CCOC[C@H]1C 336318321 169013025 /nfs/dbraw/zinc/01/30/25/169013025.db2.gz NRDDDOGTBDYQDI-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1oncc1C[N@@H+]1CCOC[C@H]1C 336318321 169013028 /nfs/dbraw/zinc/01/30/28/169013028.db2.gz NRDDDOGTBDYQDI-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1oncc1C[N@H+]1CCOC[C@@H]1C 336272109 169013378 /nfs/dbraw/zinc/01/33/78/169013378.db2.gz NRDDDOGTBDYQDI-QMMMGPOBSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1oncc1C[N@@H+]1CCOC[C@@H]1C 336272109 169013381 /nfs/dbraw/zinc/01/33/81/169013381.db2.gz NRDDDOGTBDYQDI-QMMMGPOBSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1oncc1C[N@@H+]1CCO[C@H](C)C1 334321758 169013763 /nfs/dbraw/zinc/01/37/63/169013763.db2.gz IHSAASFGGUKBPD-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1oncc1C[N@H+]1CCO[C@H](C)C1 334321758 169013765 /nfs/dbraw/zinc/01/37/65/169013765.db2.gz IHSAASFGGUKBPD-MRVPVSSYSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1ocnc1CNc1cccc[nH+]1 307091773 169014115 /nfs/dbraw/zinc/01/41/15/169014115.db2.gz YFRSQDZHCLDBES-UHFFFAOYSA-N 1 2 189.218 1.990 20 0 ADADLO Cc1oncc1NCc1c[nH+]cn1C 307077826 169015341 /nfs/dbraw/zinc/01/53/41/169015341.db2.gz PUGZOMXMOMBYKM-UHFFFAOYSA-N 1 2 192.222 1.329 20 0 ADADLO Cl/C=C/Cn1cc[nH+]c1 41391570 169016495 /nfs/dbraw/zinc/01/64/95/169016495.db2.gz ACCXYOAYRCOOST-OWOJBTEDSA-N 1 2 142.589 1.636 20 0 ADADLO Cc1sccc1C[NH+]1CCOCC1 334457758 169016502 /nfs/dbraw/zinc/01/65/02/169016502.db2.gz JAQAXNMNANLBKW-UHFFFAOYSA-N 1 2 197.303 1.889 20 0 ADADLO Clc1cc(Cn2cc[nH+]c2)ccn1 51602120 169022434 /nfs/dbraw/zinc/02/24/34/169022434.db2.gz IRJYFYYKFULRKN-UHFFFAOYSA-N 1 2 193.637 1.980 20 0 ADADLO Clc1ccc(C[NH+]2CCC2)cn1 13798250 169023149 /nfs/dbraw/zinc/02/31/49/169023149.db2.gz YJQRQJMMHPRGPI-UHFFFAOYSA-N 1 2 182.654 1.941 20 0 ADADLO Clc1ccc(Cn2cc[nH+]c2)nc1 306737003 169023470 /nfs/dbraw/zinc/02/34/70/169023470.db2.gz YFHKUZKUGPKCPN-UHFFFAOYSA-N 1 2 193.637 1.980 20 0 ADADLO Clc1cnn(CCn2cc[nH+]c2)c1 306447450 169026170 /nfs/dbraw/zinc/02/61/70/169026170.db2.gz UGIJUCBEMPTCDJ-UHFFFAOYSA-N 1 2 196.641 1.433 20 0 ADADLO Clc1c[nH+]c2n1CCCC2 95830440 169026961 /nfs/dbraw/zinc/02/69/61/169026961.db2.gz JTGZDACUJPPSTB-UHFFFAOYSA-N 1 2 156.616 1.873 20 0 ADADLO Clc1nsnc1-n1cc[nH+]c1 37372522 169028424 /nfs/dbraw/zinc/02/84/24/169028424.db2.gz PEOVDSFZDATAPQ-UHFFFAOYSA-N 1 2 186.627 1.377 20 0 ADADLO Cn1cc(C[N@@H+]2CCC=C(F)C2)cn1 335327473 169037616 /nfs/dbraw/zinc/03/76/16/169037616.db2.gz LNQQPGGKCXVBOX-UHFFFAOYSA-N 1 2 195.241 1.479 20 0 ADADLO Cn1cc(C[N@H+]2CCC=C(F)C2)cn1 335327473 169037620 /nfs/dbraw/zinc/03/76/20/169037620.db2.gz LNQQPGGKCXVBOX-UHFFFAOYSA-N 1 2 195.241 1.479 20 0 ADADLO Cn1cc(CNc2cccc[nH+]2)cn1 41055028 169039592 /nfs/dbraw/zinc/03/95/92/169039592.db2.gz PVJUMRRYUHJHQR-UHFFFAOYSA-N 1 2 188.234 1.427 20 0 ADADLO Cn1ccc(C[N@@H+]2CCC[C@H]2CF)n1 335749502 169044985 /nfs/dbraw/zinc/04/49/85/169044985.db2.gz UGGHKMXIUQYZRK-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(C[N@H+]2CCC[C@H]2CF)n1 335749502 169044988 /nfs/dbraw/zinc/04/49/88/169044988.db2.gz UGGHKMXIUQYZRK-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(C[N@@H+]2CCC[C@@H]2CF)n1 335749503 169045085 /nfs/dbraw/zinc/04/50/85/169045085.db2.gz UGGHKMXIUQYZRK-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(C[N@H+]2CCC[C@@H]2CF)n1 335749503 169045088 /nfs/dbraw/zinc/04/50/88/169045088.db2.gz UGGHKMXIUQYZRK-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(CNc2cccc[nH+]2)n1 211280327 169045953 /nfs/dbraw/zinc/04/59/53/169045953.db2.gz OWVIBAZQFJPCQH-UHFFFAOYSA-N 1 2 188.234 1.427 20 0 ADADLO Cn1cccc1C[NH2+]Cc1ccn[nH]1 50596174 169049743 /nfs/dbraw/zinc/04/97/43/169049743.db2.gz JIMMJGRMHSDVJI-UHFFFAOYSA-N 1 2 190.250 1.038 20 0 ADADLO Cn1cccc1C[NH2+]CC(C)(F)F 328579405 169050037 /nfs/dbraw/zinc/05/00/37/169050037.db2.gz FZWHNKROZZQPLV-UHFFFAOYSA-N 1 2 188.221 1.770 20 0 ADADLO Cn1cc[nH+]c1-c1ccc(O)cc1 82736699 169050910 /nfs/dbraw/zinc/05/09/10/169050910.db2.gz LGLUKMPMASUBFW-UHFFFAOYSA-N 1 2 174.203 1.793 20 0 ADADLO Cn1ccnc1C[N@@H+]1CCC[C@H]1CF 336260195 169051094 /nfs/dbraw/zinc/05/10/94/169051094.db2.gz JMQIZWSZKZZZTL-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccnc1C[N@H+]1CCC[C@H]1CF 336260195 169051096 /nfs/dbraw/zinc/05/10/96/169051096.db2.gz JMQIZWSZKZZZTL-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc[nH+]c1CN1CCC[C@H]1CF 336260195 169051098 /nfs/dbraw/zinc/05/10/98/169051098.db2.gz JMQIZWSZKZZZTL-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1CF 336260194 169051285 /nfs/dbraw/zinc/05/12/85/169051285.db2.gz JMQIZWSZKZZZTL-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccnc1C[N@H+]1CCC[C@@H]1CF 336260194 169051289 /nfs/dbraw/zinc/05/12/89/169051289.db2.gz JMQIZWSZKZZZTL-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc[nH+]c1CN1CCC[C@@H]1CF 336260194 169051290 /nfs/dbraw/zinc/05/12/90/169051290.db2.gz JMQIZWSZKZZZTL-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc[nH+]c1CN1CC[C@@](C)(F)C1 335015960 169051720 /nfs/dbraw/zinc/05/17/20/169051720.db2.gz BHDLSNKBUDYWDJ-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccnc1C[N@@H+]1CC[C@@](C)(F)C1 335015960 169051722 /nfs/dbraw/zinc/05/17/22/169051722.db2.gz BHDLSNKBUDYWDJ-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccnc1C[N@H+]1CC[C@@](C)(F)C1 335015960 169051723 /nfs/dbraw/zinc/05/17/23/169051723.db2.gz BHDLSNKBUDYWDJ-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc[nH+]c1CNc1nccs1 70798372 169051760 /nfs/dbraw/zinc/05/17/60/169051760.db2.gz OJBSLMUDGMESFW-UHFFFAOYSA-N 1 2 194.263 1.489 20 0 ADADLO Cn1cc[nH+]c1CSc1ncco1 306157133 169052160 /nfs/dbraw/zinc/05/21/60/169052160.db2.gz DDWVPUMYBYSKIZ-UHFFFAOYSA-N 1 2 195.247 1.700 20 0 ADADLO Cn1cc[nH+]c1CN1CC[C@](C)(F)C1 335015959 169052239 /nfs/dbraw/zinc/05/22/39/169052239.db2.gz BHDLSNKBUDYWDJ-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccnc1C[N@@H+]1CC[C@](C)(F)C1 335015959 169052241 /nfs/dbraw/zinc/05/22/41/169052241.db2.gz BHDLSNKBUDYWDJ-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccnc1C[N@H+]1CC[C@](C)(F)C1 335015959 169052242 /nfs/dbraw/zinc/05/22/42/169052242.db2.gz BHDLSNKBUDYWDJ-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc[nH+]c1CSc1ncc[nH]1 306570481 169052330 /nfs/dbraw/zinc/05/23/30/169052330.db2.gz YTQCRENRAFQCAX-UHFFFAOYSA-N 1 2 194.263 1.436 20 0 ADADLO Cn1c[nH+]cc1CSc1ncc[nH]1 307163736 169057708 /nfs/dbraw/zinc/05/77/08/169057708.db2.gz LZAUOVZTOOOYNG-UHFFFAOYSA-N 1 2 194.263 1.436 20 0 ADADLO Cn1c[nH+]cc1-c1ccc(CO)cc1 79387309 169057724 /nfs/dbraw/zinc/05/77/24/169057724.db2.gz TXLWFLWTMHAKRV-UHFFFAOYSA-N 1 2 188.230 1.579 20 0 ADADLO Cn1c[nH+]cc1CNc1cccnc1 595581 169057727 /nfs/dbraw/zinc/05/77/27/169057727.db2.gz AVIAEAPIOKFLTJ-UHFFFAOYSA-N 1 2 188.234 1.427 20 0 ADADLO Cn1c[nH+]cc1Cn1cc(Cl)cn1 335557433 169057765 /nfs/dbraw/zinc/05/77/65/169057765.db2.gz DRUDELRVGFLMNW-UHFFFAOYSA-N 1 2 196.641 1.318 20 0 ADADLO Cn1c[nH+]cc1CNc1ccon1 306814940 169058095 /nfs/dbraw/zinc/05/80/95/169058095.db2.gz BTONTEHOMJWKMI-UHFFFAOYSA-N 1 2 178.195 1.020 20 0 ADADLO Cn1c[nH+]c2cc(F)c(F)cc21 45238550 169058216 /nfs/dbraw/zinc/05/82/16/169058216.db2.gz ZRVGTRJHRVZXEZ-UHFFFAOYSA-N 1 2 168.146 1.852 20 0 ADADLO Cn1c[nH+]cc1CSc1ncco1 306736541 169058356 /nfs/dbraw/zinc/05/83/56/169058356.db2.gz XOGCLBQHBYCLBN-UHFFFAOYSA-N 1 2 195.247 1.700 20 0 ADADLO Cn1c[nH+]cc1-c1cccc(C=O)c1 221269811 169058612 /nfs/dbraw/zinc/05/86/12/169058612.db2.gz XEANPZNZLCNFJL-UHFFFAOYSA-N 1 2 186.214 1.900 20 0 ADADLO Cn1c[nH+]cc1-c1cccc(CO)c1 71791915 169058664 /nfs/dbraw/zinc/05/86/64/169058664.db2.gz AOGIIAANWPLDRQ-UHFFFAOYSA-N 1 2 188.230 1.579 20 0 ADADLO Cn1cncc1C[N@@H+]1CC[C@](C)(F)C1 335667707 169058804 /nfs/dbraw/zinc/05/88/04/169058804.db2.gz AAQZSVJPLJYNCB-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cncc1C[N@H+]1CC[C@](C)(F)C1 335667707 169058806 /nfs/dbraw/zinc/05/88/06/169058806.db2.gz AAQZSVJPLJYNCB-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cncc1C[N@@H+]1CC[C@@](C)(F)C1 335667708 169058816 /nfs/dbraw/zinc/05/88/16/169058816.db2.gz AAQZSVJPLJYNCB-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cncc1C[N@H+]1CC[C@@](C)(F)C1 335667708 169058817 /nfs/dbraw/zinc/05/88/17/169058817.db2.gz AAQZSVJPLJYNCB-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1c[nH+]cc1CNC(=O)C(C)(C)C 306680312 169058857 /nfs/dbraw/zinc/05/88/57/169058857.db2.gz KLCYUMIWUKUWOM-UHFFFAOYSA-N 1 2 195.266 1.082 20 0 ADADLO FC(F)(F)CC[NH+]1CCOCC1 306455347 169072080 /nfs/dbraw/zinc/07/20/80/169072080.db2.gz QJVMVFANVDZPPF-UHFFFAOYSA-N 1 2 183.173 1.271 20 0 ADADLO FC1C[NH+](C[C@@H]2CC=CCC2)C1 307515470 169075621 /nfs/dbraw/zinc/07/56/21/169075621.db2.gz GWJDWELHLQYWMX-SECBINFHSA-N 1 2 169.243 1.996 20 0 ADADLO FC1(F)CCN(c2cccc[nH+]2)C1 306400052 169075661 /nfs/dbraw/zinc/07/56/61/169075661.db2.gz NEZCOKUIGXXSLF-UHFFFAOYSA-N 1 2 184.189 1.927 20 0 ADADLO FC1=CCCN(Cc2[nH]cc[nH+]2)C1 307650392 169075706 /nfs/dbraw/zinc/07/57/06/169075706.db2.gz QRLAHOFNSFNDOC-UHFFFAOYSA-N 1 2 181.214 1.469 20 0 ADADLO FC1(F)Oc2cc3[nH]c[nH+]c3cc2O1 34611742 169076141 /nfs/dbraw/zinc/07/61/41/169076141.db2.gz 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SRCOKDDNFOPTTP-VIFPVBQESA-N 1 2 195.241 1.208 20 0 ADADLO Nc1ncccc1C[N@H+]1CC[C@H](F)C1 336263128 169308946 /nfs/dbraw/zinc/30/89/46/169308946.db2.gz SRCOKDDNFOPTTP-VIFPVBQESA-N 1 2 195.241 1.208 20 0 ADADLO Nc1ncccc1C[N@@H+]1CC[C@@H](F)C1 336263127 169309333 /nfs/dbraw/zinc/30/93/33/169309333.db2.gz SRCOKDDNFOPTTP-SECBINFHSA-N 1 2 195.241 1.208 20 0 ADADLO Nc1ncccc1C[N@H+]1CC[C@@H](F)C1 336263127 169309335 /nfs/dbraw/zinc/30/93/35/169309335.db2.gz SRCOKDDNFOPTTP-SECBINFHSA-N 1 2 195.241 1.208 20 0 ADADLO O=C(NCc1[nH]cc[nH+]1)C1=CCCC1 335757675 169329963 /nfs/dbraw/zinc/32/99/63/169329963.db2.gz INXWCVXAWWWUDB-UHFFFAOYSA-N 1 2 191.234 1.136 20 0 ADADLO O=C(NCc1c[nH+]c[nH]1)C1=CCCC1 336060163 169330596 /nfs/dbraw/zinc/33/05/96/169330596.db2.gz URUKFBUIWMDBCZ-UHFFFAOYSA-N 1 2 191.234 1.136 20 0 ADADLO O=C(NCc1c[nH]c[nH+]1)C1=CCCC1 336060163 169330598 /nfs/dbraw/zinc/33/05/98/169330598.db2.gz URUKFBUIWMDBCZ-UHFFFAOYSA-N 1 2 191.234 1.136 20 0 ADADLO O=C(Nc1cc[nH+]cc1O)C1CC1 307483593 169333677 /nfs/dbraw/zinc/33/36/77/169333677.db2.gz AQABXXGVNDGIRD-UHFFFAOYSA-N 1 2 178.191 1.136 20 0 ADADLO O=C(OCc1ccccc1)[C@@H]1CC[NH2+]1 38292993 169361440 /nfs/dbraw/zinc/36/14/40/169361440.db2.gz NPLXMOUPIRQAGN-JTQLQIEISA-N 1 2 191.230 1.092 20 0 ADADLO O=C1C[NH2+]Cc2cc(Cl)ccc2N1 90659713 169378081 /nfs/dbraw/zinc/37/80/81/169378081.db2.gz GPRMHDRJRXITMD-UHFFFAOYSA-N 1 2 196.637 1.382 20 0 ADADLO OCC1(Nc2cccc[nH+]2)CCC1 128397370 169423641 /nfs/dbraw/zinc/42/36/41/169423641.db2.gz FCJHDFSXNVMKTI-UHFFFAOYSA-N 1 2 178.235 1.409 20 0 ADADLO O[C@H]1C[C@@H](COc2cc[nH+]cc2)C1 335002330 169454290 /nfs/dbraw/zinc/45/42/90/169454290.db2.gz AZSPVYIPUIDEKH-DTORHVGOSA-N 1 2 179.219 1.231 20 0 ADADLO c1cc(OC[C@@H]2CCCOC2)cc[nH+]1 336134026 169470609 /nfs/dbraw/zinc/47/06/09/169470609.db2.gz JKDQREIEUMJEAV-SNVBAGLBSA-N 1 2 193.246 1.887 20 0 ADADLO c1ccc(C[NH2+]Cc2ncc[nH]2)nc1 49714584 169475900 /nfs/dbraw/zinc/47/59/00/169475900.db2.gz MXRKCHJZNYIJEW-UHFFFAOYSA-N 1 2 188.234 1.095 20 0 ADADLO c1ccc(N[C@@H]2CCSC2)[nH+]c1 76604505 169476470 /nfs/dbraw/zinc/47/64/70/169476470.db2.gz WUVURQVZXKENGN-MRVPVSSYSA-N 1 2 180.276 1.999 20 0 in-vitro ADADLO c1snnc1C[NH+]1CCCC1 306673956 169491386 /nfs/dbraw/zinc/49/13/86/169491386.db2.gz OYHCZAIAAVOYPC-UHFFFAOYSA-N 1 2 169.253 1.134 20 0 ADADLO c1snnc1C[NH+]1CCCCC1 307108907 169491595 /nfs/dbraw/zinc/49/15/95/169491595.db2.gz JYIBZXXKXGVNLL-UHFFFAOYSA-N 1 2 183.280 1.524 20 0 ADADLO C[C@@H](c1ccncc1)[NH+]1CCOCC1 142631595 344013542 /nfs/dbraw/zinc/01/35/42/344013542.db2.gz CKNKRGJXQSVKCH-JTQLQIEISA-N 1 2 192.262 1.475 20 0 ADADLO C[C@H]1C[N@H+](CCC(F)(F)F)CCO1 145954906 344036991 /nfs/dbraw/zinc/03/69/91/344036991.db2.gz CGPPYRKZFUCZNY-ZETCQYMHSA-N 1 2 197.200 1.660 20 0 ADADLO C[C@H]1C[N@@H+](CCC(F)(F)F)CCO1 145954906 344036993 /nfs/dbraw/zinc/03/69/93/344036993.db2.gz CGPPYRKZFUCZNY-ZETCQYMHSA-N 1 2 197.200 1.660 20 0 ADADLO c1cc(CCn2cc[nH+]c2)ccn1 5286612 171016155 /nfs/dbraw/zinc/01/61/55/171016155.db2.gz JFBPQDAJCGEDKW-UHFFFAOYSA-N 1 2 173.219 1.521 20 0 ADADLO CO[C@@H]1c2ccccc2CC[N@H+]1C 38350445 171022283 /nfs/dbraw/zinc/02/22/83/171022283.db2.gz LHBBWXGFVVODAM-LLVKDONJSA-N 1 2 177.247 1.820 20 0 ADADLO CO[C@@H]1c2ccccc2CC[N@@H+]1C 38350445 171022285 /nfs/dbraw/zinc/02/22/85/171022285.db2.gz LHBBWXGFVVODAM-LLVKDONJSA-N 1 2 177.247 1.820 20 0 ADADLO O=Cc1cccc(Cn2cc[nH+]c2)n1 20441876 171039248 /nfs/dbraw/zinc/03/92/48/171039248.db2.gz DYFIAUNNGZLIFO-UHFFFAOYSA-N 1 2 187.202 1.139 20 0 ADADLO CC(C)c1cc[nH+]cc1O 34091509 171053248 /nfs/dbraw/zinc/05/32/48/171053248.db2.gz RHZFCLBCFSZTKM-UHFFFAOYSA-N 1 2 137.182 1.911 20 0 ADADLO Cc1cc(C[NH+]2CCOCC2)ccn1 147714221 344044975 /nfs/dbraw/zinc/04/49/75/344044975.db2.gz DNBMKZDJEGPIQO-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO c1cncc(NCc2c[nH+]c[nH]2)c1 54762888 171099479 /nfs/dbraw/zinc/09/94/79/171099479.db2.gz RFNDWIMXUSXYHS-UHFFFAOYSA-N 1 2 174.207 1.417 20 0 ADADLO c1cncc(NCc2c[nH]c[nH+]2)c1 54762888 171099482 /nfs/dbraw/zinc/09/94/82/171099482.db2.gz RFNDWIMXUSXYHS-UHFFFAOYSA-N 1 2 174.207 1.417 20 0 ADADLO O[C@@H](CNc1cccc[nH+]1)C1CC1 70886409 171106651 /nfs/dbraw/zinc/10/66/51/171106651.db2.gz RAEQXDKWNZLMHN-VIFPVBQESA-N 1 2 178.235 1.264 20 0 ADADLO CC(=O)Nc1cccc2[nH+]ccn12 89201319 171133895 /nfs/dbraw/zinc/13/38/95/171133895.db2.gz DYNUVWAPUFCSNQ-UHFFFAOYSA-N 1 2 175.191 1.293 20 0 ADADLO Nc1ccc([NH3+])c2c1CCCC2 90598782 171134584 /nfs/dbraw/zinc/13/45/84/171134584.db2.gz FAJBOTIRBFAKPK-UHFFFAOYSA-N 1 2 162.236 1.730 20 0 in-vitro ADADLO c1cnc2c(c1)C[N@@H+]1CCC[C@@H]1N2 95830719 171139599 /nfs/dbraw/zinc/13/95/99/171139599.db2.gz BVCONXOJOPFNRF-SECBINFHSA-N 1 2 175.235 1.429 20 0 ADADLO c1cnc2c(c1)C[N@H+]1CCC[C@@H]1N2 95830719 171139602 /nfs/dbraw/zinc/13/96/02/171139602.db2.gz BVCONXOJOPFNRF-SECBINFHSA-N 1 2 175.235 1.429 20 0 ADADLO Oc1ccc(F)cc1-c1[nH]cc[nH+]1 95803711 171139884 /nfs/dbraw/zinc/13/98/84/171139884.db2.gz QMMCLILEDDLSPN-UHFFFAOYSA-N 1 2 178.166 1.921 20 0 ADADLO c1cnc2c(c1)C[N@@H+]1CCC[C@H]1N2 95830718 171139930 /nfs/dbraw/zinc/13/99/30/171139930.db2.gz BVCONXOJOPFNRF-VIFPVBQESA-N 1 2 175.235 1.429 20 0 ADADLO c1cnc2c(c1)C[N@H+]1CCC[C@H]1N2 95830718 171139931 /nfs/dbraw/zinc/13/99/31/171139931.db2.gz BVCONXOJOPFNRF-VIFPVBQESA-N 1 2 175.235 1.429 20 0 ADADLO c1ccc(CCn2cc[nH+]c2)nc1 59601921 171139950 /nfs/dbraw/zinc/13/99/50/171139950.db2.gz OOWAWXWMHSRVDR-UHFFFAOYSA-N 1 2 173.219 1.521 20 0 ADADLO Oc1ccc(NCC2CC2)[nH+]c1 95942581 171141036 /nfs/dbraw/zinc/14/10/36/171141036.db2.gz JOFKVBXNGOZBMU-UHFFFAOYSA-N 1 2 164.208 1.609 20 0 in-vitro ADADLO FC(F)(F)c1nc2c(o1)C[NH2+]C2 96028696 171141160 /nfs/dbraw/zinc/14/11/60/171141160.db2.gz ZOECXRXMERRBRY-UHFFFAOYSA-N 1 2 178.113 1.297 20 0 ADADLO c1cncc(C[NH2+]Cc2ncc[nH]2)c1 49714707 171154147 /nfs/dbraw/zinc/15/41/47/171154147.db2.gz JHMZTDOCMPVXTI-UHFFFAOYSA-N 1 2 188.234 1.095 20 0 ADADLO c1csc(CNCc2[nH]cc[nH+]2)n1 49715673 171154266 /nfs/dbraw/zinc/15/42/66/171154266.db2.gz WBEMGFBYOQVRKK-UHFFFAOYSA-N 1 2 194.263 1.156 20 0 ADADLO O=S1CC[NH+]([C@H]2C=CCCC2)CC1 306507564 171157888 /nfs/dbraw/zinc/15/78/88/171157888.db2.gz YGEMQMVTEQOYRO-JTQLQIEISA-N 1 2 199.319 1.159 20 0 ADADLO O=S1CC[NH+]([C@@H]2C=CCCC2)CC1 306507565 171158313 /nfs/dbraw/zinc/15/83/13/171158313.db2.gz YGEMQMVTEQOYRO-SNVBAGLBSA-N 1 2 199.319 1.159 20 0 ADADLO c1csc(C[N@@H+]2CCCOCC2)n1 306600542 171158572 /nfs/dbraw/zinc/15/85/72/171158572.db2.gz ZSIFLZSXOAMEBB-UHFFFAOYSA-N 1 2 198.291 1.365 20 0 ADADLO c1csc(C[N@H+]2CCCOCC2)n1 306600542 171158573 /nfs/dbraw/zinc/15/85/73/171158573.db2.gz ZSIFLZSXOAMEBB-UHFFFAOYSA-N 1 2 198.291 1.365 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)CC1CC1 336433046 171170075 /nfs/dbraw/zinc/17/00/75/171170075.db2.gz UKIKVFBLTUJJDF-UHFFFAOYSA-N 1 2 190.246 1.551 20 0 ADADLO Fc1ccc(C[N@H+]2CC[C@H](F)C2)nc1 336262818 171170114 /nfs/dbraw/zinc/17/01/14/171170114.db2.gz CJQUANWWHKYETN-VIFPVBQESA-N 1 2 198.216 1.765 20 0 ADADLO Fc1ccc(C[N@@H+]2CC[C@H](F)C2)nc1 336262818 171170117 /nfs/dbraw/zinc/17/01/17/171170117.db2.gz CJQUANWWHKYETN-VIFPVBQESA-N 1 2 198.216 1.765 20 0 ADADLO c1cncc(C[NH2+]Cc2c[nH]cn2)c1 54763679 171174934 /nfs/dbraw/zinc/17/49/34/171174934.db2.gz GAISGYQLJARHBQ-UHFFFAOYSA-N 1 2 188.234 1.095 20 0 ADADLO Cc1cc[nH+]c(C)c1NC(N)=O 307331560 171178737 /nfs/dbraw/zinc/17/87/37/171178737.db2.gz PHFQCISTJVFZAC-UHFFFAOYSA-N 1 2 165.196 1.189 20 0 ADADLO CC(=O)Nc1c(C)cc[nH+]c1C 306153068 171191345 /nfs/dbraw/zinc/19/13/45/171191345.db2.gz HJUPCLBUBFNFDD-UHFFFAOYSA-N 1 2 164.208 1.657 20 0 ADADLO CC(C)(O)CCn1cc[nH+]c1 32211308 171192352 /nfs/dbraw/zinc/19/23/52/171192352.db2.gz CBTNWEOCWAOJBO-UHFFFAOYSA-N 1 2 154.213 1.044 20 0 ADADLO CC(=O)Nc1c(C)cc(C)[nH+]c1C 32174475 171192811 /nfs/dbraw/zinc/19/28/11/171192811.db2.gz YEHATRYEWZQVJU-UHFFFAOYSA-N 1 2 178.235 1.965 20 0 ADADLO CC[C@@H](C)C(=O)Nc1cc[nH+]cc1C 334734017 171201351 /nfs/dbraw/zinc/20/13/51/171201351.db2.gz VAYXWHXLABFJJV-MRVPVSSYSA-N 1 2 192.262 1.797 20 0 ADADLO Cc1ccnc(C[N@@H+](C)C2CC2)n1 334736698 171201359 /nfs/dbraw/zinc/20/13/59/171201359.db2.gz KBKHKVQQISPSCE-UHFFFAOYSA-N 1 2 177.251 1.379 20 0 ADADLO Cc1ccnc(C[N@H+](C)C2CC2)n1 334736698 171201362 /nfs/dbraw/zinc/20/13/62/171201362.db2.gz KBKHKVQQISPSCE-UHFFFAOYSA-N 1 2 177.251 1.379 20 0 ADADLO CCN1C(=O)C(C)(C)[NH2+]C12CCCC2 335251348 171201530 /nfs/dbraw/zinc/20/15/30/171201530.db2.gz FRFOYHPCLDSMGJ-UHFFFAOYSA-N 1 2 196.294 1.487 20 0 ADADLO CC[C@@H]1CC[N@H+](Cc2noc(C)n2)C1 335295841 171202216 /nfs/dbraw/zinc/20/22/16/171202216.db2.gz WJQWRFUPLSXIDS-SECBINFHSA-N 1 2 195.266 1.610 20 0 ADADLO CC[C@@H]1CC[N@@H+](Cc2noc(C)n2)C1 335295841 171202218 /nfs/dbraw/zinc/20/22/18/171202218.db2.gz WJQWRFUPLSXIDS-SECBINFHSA-N 1 2 195.266 1.610 20 0 ADADLO Cn1nccc1C[N@@H+]1CC[C@@](C)(F)C1 335483525 171203807 /nfs/dbraw/zinc/20/38/07/171203807.db2.gz YJWHTAKNUPENRF-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1nccc1C[N@H+]1CC[C@@](C)(F)C1 335483525 171203809 /nfs/dbraw/zinc/20/38/09/171203809.db2.gz YJWHTAKNUPENRF-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO CO[C@@H](C)C[N@@H+]1CCC(F)(F)C1 335587768 171203887 /nfs/dbraw/zinc/20/38/87/171203887.db2.gz CQQZCDSLXKBBOU-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO CO[C@@H](C)C[N@H+]1CCC(F)(F)C1 335587768 171203890 /nfs/dbraw/zinc/20/38/90/171203890.db2.gz CQQZCDSLXKBBOU-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO Cn1nccc1C[N@@H+]1CC[C@](C)(F)C1 335483524 171203983 /nfs/dbraw/zinc/20/39/83/171203983.db2.gz YJWHTAKNUPENRF-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1nccc1C[N@H+]1CC[C@](C)(F)C1 335483524 171203985 /nfs/dbraw/zinc/20/39/85/171203985.db2.gz YJWHTAKNUPENRF-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO F[C@@H]1CC[N@H+](Cc2cncs2)C1 335406856 171204315 /nfs/dbraw/zinc/20/43/15/171204315.db2.gz FHPRUFUACQMFTK-SSDOTTSWSA-N 1 2 186.255 1.687 20 0 ADADLO F[C@@H]1CC[N@@H+](Cc2cncs2)C1 335406856 171204318 /nfs/dbraw/zinc/20/43/18/171204318.db2.gz FHPRUFUACQMFTK-SSDOTTSWSA-N 1 2 186.255 1.687 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)CC(C)C 335920814 171208516 /nfs/dbraw/zinc/20/85/16/171208516.db2.gz OYEXHJHHYWVSBK-UHFFFAOYSA-N 1 2 192.262 1.797 20 0 ADADLO F[C@@H]1CC[N@H+](Cc2ccno2)C1 336259608 171209659 /nfs/dbraw/zinc/20/96/59/171209659.db2.gz OIEIEFDUSOHEJL-SSDOTTSWSA-N 1 2 170.187 1.218 20 0 ADADLO F[C@@H]1CC[N@@H+](Cc2ccno2)C1 336259608 171209663 /nfs/dbraw/zinc/20/96/63/171209663.db2.gz OIEIEFDUSOHEJL-SSDOTTSWSA-N 1 2 170.187 1.218 20 0 ADADLO CC1(C)COCC[N@@H+]1Cc1ccno1 336496306 171210086 /nfs/dbraw/zinc/21/00/86/171210086.db2.gz XOLVHUVPKJOFRT-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO CC1(C)COCC[N@H+]1Cc1ccno1 336496306 171210088 /nfs/dbraw/zinc/21/00/88/171210088.db2.gz XOLVHUVPKJOFRT-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO CC[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 336488937 171210370 /nfs/dbraw/zinc/21/03/70/171210370.db2.gz XMSOSZNWDDJTCD-MRVPVSSYSA-N 1 2 192.262 1.797 20 0 ADADLO CC[C@@H](C)C(=O)Nc1cc[nH+]cc1O 336374090 171210626 /nfs/dbraw/zinc/21/06/26/171210626.db2.gz ATFGNKJLYPFIBD-SSDOTTSWSA-N 1 2 194.234 1.194 20 0 ADADLO Cc1ccnc(Cn2cc[nH+]c2)n1 336481302 171210786 /nfs/dbraw/zinc/21/07/86/171210786.db2.gz OPYICAPFQQHWLS-UHFFFAOYSA-N 1 2 174.207 1.030 20 0 ADADLO c1n[nH]nc1C[NH+]1CCCCCC1 306160290 171213885 /nfs/dbraw/zinc/21/38/85/171213885.db2.gz OUHHLTWFBWXHQF-UHFFFAOYSA-N 1 2 180.255 1.181 20 0 ADADLO OCCSc1[nH+]cc2ccccn12 306407694 171214034 /nfs/dbraw/zinc/21/40/34/171214034.db2.gz XKHSRGUDXGBOEY-UHFFFAOYSA-N 1 2 194.259 1.419 20 0 ADADLO CC(C)(O)CC[N@@H+]1CCC(F)(F)C1 306606401 171214113 /nfs/dbraw/zinc/21/41/13/171214113.db2.gz RKFZSTGUNNNPQM-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO CC(C)(O)CC[N@H+]1CCC(F)(F)C1 306606401 171214114 /nfs/dbraw/zinc/21/41/14/171214114.db2.gz RKFZSTGUNNNPQM-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO CC(C)Nc1n[nH+]cc(Cl)c1N 149961167 344074287 /nfs/dbraw/zinc/07/42/87/344074287.db2.gz NTCIXOCCYDNMOG-UHFFFAOYSA-N 1 2 186.646 1.533 20 0 ADADLO C[C@H]1CC[N@H+](CC(F)F)C1 149967629 344074304 /nfs/dbraw/zinc/07/43/04/344074304.db2.gz QJUDTYJRZHLPFH-LURJTMIESA-N 1 2 149.184 1.593 20 0 ADADLO C[C@H]1CC[N@@H+](CC(F)F)C1 149967629 344074305 /nfs/dbraw/zinc/07/43/05/344074305.db2.gz QJUDTYJRZHLPFH-LURJTMIESA-N 1 2 149.184 1.593 20 0 ADADLO CO[C@H](C)C(=O)Nc1cc[nH+]cc1C 160612568 344171538 /nfs/dbraw/zinc/17/15/38/344171538.db2.gz SYOLRIJDGVUOFA-MRVPVSSYSA-N 1 2 194.234 1.363 20 0 ADADLO CCC[C@@H](O)CNc1cc[nH+]c(C)n1 161912895 344200484 /nfs/dbraw/zinc/20/04/84/344200484.db2.gz MGOLADGLKWYOJL-SECBINFHSA-N 1 2 195.266 1.358 20 0 ADADLO Cc1nc(N[C@H](C)C[C@@H](C)O)cc[nH+]1 164921797 344254886 /nfs/dbraw/zinc/25/48/86/344254886.db2.gz WURJLEHYFFUWQD-HTQZYQBOSA-N 1 2 195.266 1.356 20 0 ADADLO CC(C)CNc1cc(CO)cc[nH+]1 166286453 344278488 /nfs/dbraw/zinc/27/84/88/344278488.db2.gz PZWYJQXTFMJLST-UHFFFAOYSA-N 1 2 180.251 1.642 20 0 ADADLO Cc1ccoc1C[NH+]1CCOCC1 202728574 344367822 /nfs/dbraw/zinc/36/78/22/344367822.db2.gz GEWZECTWASXXRC-UHFFFAOYSA-N 1 2 181.235 1.420 20 0 ADADLO Cc1cccnc1C[NH+]1CCOCC1 203991479 344368743 /nfs/dbraw/zinc/36/87/43/344368743.db2.gz VBAIACPGYRNNQS-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO C[C@@H]1CCC[N@H+](CC(F)F)C1 208837016 344376717 /nfs/dbraw/zinc/37/67/17/344376717.db2.gz AEICGJGPQRCEBO-SSDOTTSWSA-N 1 2 163.211 1.983 20 0 ADADLO C[C@@H]1CCC[N@@H+](CC(F)F)C1 208837016 344376718 /nfs/dbraw/zinc/37/67/18/344376718.db2.gz AEICGJGPQRCEBO-SSDOTTSWSA-N 1 2 163.211 1.983 20 0 ADADLO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccn[nH]1 220558528 344433332 /nfs/dbraw/zinc/43/33/32/344433332.db2.gz MKVPUKJTVCUWKE-CBAPKCEASA-N 1 2 197.307 1.393 20 0 ADADLO CO[C@H]1CCCN(c2cccc[nH+]2)C1 223190039 344458146 /nfs/dbraw/zinc/45/81/46/344458146.db2.gz GBIFPHOVKIAYDE-JTQLQIEISA-N 1 2 192.262 1.697 20 0 ADADLO C[C@]1(O)CCN(c2cccc[nH+]2)C1 230476183 344636488 /nfs/dbraw/zinc/63/64/88/344636488.db2.gz OMYRMLQMWBFJDZ-JTQLQIEISA-N 1 2 178.235 1.043 20 0 ADADLO COc1cc[nH+]cc1NC(C)=O 231133117 344648527 /nfs/dbraw/zinc/64/85/27/344648527.db2.gz BYGRTGBDFKFFMB-UHFFFAOYSA-N 1 2 166.180 1.049 20 0 ADADLO O=Cc1cccc(Cc2c[nH]c[nH+]2)c1 104397975 190613115 /nfs/dbraw/zinc/61/31/15/190613115.db2.gz YCSWRUYSVUFEET-UHFFFAOYSA-N 1 2 186.214 1.813 20 0 ADADLO Cn1c[nH+]cc1-c1csc(C=O)c1 238532597 344811198 /nfs/dbraw/zinc/81/11/98/344811198.db2.gz QSVRDYKGDPDWMB-UHFFFAOYSA-N 1 2 192.243 1.961 20 0 ADADLO Nc1cc[nH+]c(OC2CC2)c1 238647179 344817117 /nfs/dbraw/zinc/81/71/17/344817117.db2.gz TYDWUWYLILTJAE-UHFFFAOYSA-N 1 2 150.181 1.205 20 0 ADADLO Nc1c(Cl)ccc2[nH+]c[nH]c12 238677585 344818641 /nfs/dbraw/zinc/81/86/41/344818641.db2.gz LRXVUDBRSQYDBU-UHFFFAOYSA-N 1 2 167.599 1.799 20 0 ADADLO Nc1c(Cl)ccc2[nH]c[nH+]c12 238677585 344818642 /nfs/dbraw/zinc/81/86/42/344818642.db2.gz LRXVUDBRSQYDBU-UHFFFAOYSA-N 1 2 167.599 1.799 20 0 ADADLO CCn1ccc(NCc2[nH]cc[nH+]2)n1 300831001 345003582 /nfs/dbraw/zinc/00/35/82/345003582.db2.gz CLXXVHTUMGHSMU-UHFFFAOYSA-N 1 2 191.238 1.238 20 0 ADADLO CC(C)c1nc(Cn2cc[nH+]c2)n[nH]1 306181342 345072414 /nfs/dbraw/zinc/07/24/14/345072414.db2.gz OSCGIUPRKIZUFL-UHFFFAOYSA-N 1 2 191.238 1.173 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCOCC12CC2 306270564 345159082 /nfs/dbraw/zinc/15/90/82/345159082.db2.gz UMXBMTBCCHQSCA-VIFPVBQESA-N 1 2 187.258 1.599 20 0 ADADLO Cc1nc(N[C@@H](C)CF)cc[nH+]1 306358294 345229238 /nfs/dbraw/zinc/22/92/38/345229238.db2.gz ZPZPHGRNPRFEHT-LURJTMIESA-N 1 2 169.203 1.555 20 0 ADADLO FCC[N@@H+]1CCOCC12CCC2 306486657 345356444 /nfs/dbraw/zinc/35/64/44/345356444.db2.gz STSFBYUBGFNVTO-UHFFFAOYSA-N 1 2 173.231 1.211 20 0 ADADLO CC(C)(C)OC(=O)[C@@H]1[NH2+]CC1(C)C 306517281 345388775 /nfs/dbraw/zinc/38/87/75/345388775.db2.gz FPNMWOHVIDKJNO-ZETCQYMHSA-N 1 2 185.267 1.326 20 0 ADADLO CCCC[N@@H+]1CCOCC(F)(F)C1 306546570 345420817 /nfs/dbraw/zinc/42/08/17/345420817.db2.gz FBNOWXAGKZIRJN-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO CC1(C)CCC[C@@H]1[NH2+]Cc1cn[nH]n1 306576826 345454323 /nfs/dbraw/zinc/45/43/23/345454323.db2.gz KTHIJQVOGNEPRW-VIFPVBQESA-N 1 2 194.282 1.473 20 0 ADADLO c1ccc(N2CCO[C@H]3C[C@H]32)[nH+]c1 306601100 345476935 /nfs/dbraw/zinc/47/69/35/345476935.db2.gz JQXHMVUPRSSGPP-BDAKNGLRSA-N 1 2 176.219 1.059 20 0 ADADLO CC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 306712987 345565617 /nfs/dbraw/zinc/56/56/17/345565617.db2.gz VBEWIAJUWHAWDF-BQBZGAKWSA-N 1 2 197.200 1.658 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@H]2C)o1 306829766 345643438 /nfs/dbraw/zinc/64/34/38/345643438.db2.gz KGRJMLGXLSFTIQ-NKWVEPMBSA-N 1 2 181.239 1.218 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@H]2C)o1 306829766 345643439 /nfs/dbraw/zinc/64/34/39/345643439.db2.gz KGRJMLGXLSFTIQ-NKWVEPMBSA-N 1 2 181.239 1.218 20 0 ADADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(F)F 307085238 345801293 /nfs/dbraw/zinc/80/12/93/345801293.db2.gz MBUAEEJKAOJRGY-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(F)F 307085238 345801294 /nfs/dbraw/zinc/80/12/94/345801294.db2.gz MBUAEEJKAOJRGY-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(F)F 307085236 345801307 /nfs/dbraw/zinc/80/13/07/345801307.db2.gz MBUAEEJKAOJRGY-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(F)F 307085236 345801308 /nfs/dbraw/zinc/80/13/08/345801308.db2.gz MBUAEEJKAOJRGY-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO Cc1cc(C[NH+]2CCOCC2)cs1 307265281 345934324 /nfs/dbraw/zinc/93/43/24/345934324.db2.gz FXNPCCKZXIJALU-UHFFFAOYSA-N 1 2 197.303 1.889 20 0 ADADLO CCc1nc(-n2ccnc2)cc(C)[nH+]1 307309567 345962329 /nfs/dbraw/zinc/96/23/29/345962329.db2.gz PITAMLNUYYPMTG-UHFFFAOYSA-N 1 2 188.234 1.533 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@H+]1CC(F)(F)CN 307414678 346028528 /nfs/dbraw/zinc/02/85/28/346028528.db2.gz WPBJBMGDJUNYMN-SFYZADRCSA-N 1 2 192.253 1.311 20 0 ADADLO CCCc1ccc(N)c(C)[nH+]1 307438085 346040111 /nfs/dbraw/zinc/04/01/11/346040111.db2.gz VGQHPSQFFIMESD-UHFFFAOYSA-N 1 2 150.225 1.925 20 0 ADADLO Cc1nc(N[C@@H](C)C(C)(C)O)cc[nH+]1 307504468 346078859 /nfs/dbraw/zinc/07/88/59/346078859.db2.gz WSGHKJCCAUORMC-ZETCQYMHSA-N 1 2 195.266 1.356 20 0 ADADLO COC[C@H]1CCC[N@H+](CC(F)F)C1 308262586 346278053 /nfs/dbraw/zinc/27/80/53/346278053.db2.gz NNHFPFYMLPTFRH-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO CCOC1CC[NH+](CC(F)F)CC1 308333419 346290451 /nfs/dbraw/zinc/29/04/51/346290451.db2.gz JWMWVXBVWOCQPZ-UHFFFAOYSA-N 1 2 193.237 1.752 20 0 ADADLO Cc1cc(C[N@@H+]2CCC[C@@H]2CF)no1 334274182 346337347 /nfs/dbraw/zinc/33/73/47/346337347.db2.gz QECOCMAJHSNNKU-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO CC1=C(C)C[N@H+](Cc2c[nH]nn2)CC1 334623012 346357237 /nfs/dbraw/zinc/35/72/37/346357237.db2.gz LMBAMJCFDNGQKT-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccncc2)CCO1 334325215 346340608 /nfs/dbraw/zinc/34/06/08/346340608.db2.gz GACSKNYLHSXVOX-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO Cc1ccoc1C[N@H+]1CCOC[C@@H]1C 335391693 346393776 /nfs/dbraw/zinc/39/37/76/346393776.db2.gz SWDULERCFILCOX-JTQLQIEISA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccoc1C[N@@H+]1CCOC[C@@H]1C 335391693 346393777 /nfs/dbraw/zinc/39/37/77/346393777.db2.gz SWDULERCFILCOX-JTQLQIEISA-N 1 2 195.262 1.809 20 0 ADADLO Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)no1 335520754 346402215 /nfs/dbraw/zinc/40/22/15/346402215.db2.gz JTTJCHSBJINKHP-SNVBAGLBSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1cc(C[N@H+](C)[C@@H]2CCOC2)no1 335520754 346402216 /nfs/dbraw/zinc/40/22/16/346402216.db2.gz JTTJCHSBJINKHP-SNVBAGLBSA-N 1 2 196.250 1.204 20 0 ADADLO C[C@H]1CCC[N@@H+]1Cc1csnn1 335557700 346404715 /nfs/dbraw/zinc/40/47/15/346404715.db2.gz GYOMKXYZBRZOLV-ZETCQYMHSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@H]1CCC[N@H+]1Cc1csnn1 335557700 346404716 /nfs/dbraw/zinc/40/47/16/346404716.db2.gz GYOMKXYZBRZOLV-ZETCQYMHSA-N 1 2 183.280 1.522 20 0 ADADLO CC1(C)CC[N@H+](Cc2csnn2)C1 335555447 346404722 /nfs/dbraw/zinc/40/47/22/346404722.db2.gz IOKHJRUXOJWFHZ-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC1(C)CC[N@@H+](Cc2csnn2)C1 335555447 346404723 /nfs/dbraw/zinc/40/47/23/346404723.db2.gz IOKHJRUXOJWFHZ-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CCn1cncc1C[N@@H+]1CC[C@@H](F)C1 335650428 346411314 /nfs/dbraw/zinc/41/13/14/346411314.db2.gz OHYOEDDXAWTGGB-SECBINFHSA-N 1 2 197.257 1.447 20 0 ADADLO CC[C@@H]1COCC[N@H+]1Cc1cc[nH]n1 335653600 346411620 /nfs/dbraw/zinc/41/16/20/346411620.db2.gz JRXNZPIGBGUZPO-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO Cc1cc(N2C[C@@H](C)[C@H](C)C2)nc[nH+]1 335676941 346412657 /nfs/dbraw/zinc/41/26/57/346412657.db2.gz WOQCXDJROKCZHN-RKDXNWHRSA-N 1 2 191.278 1.877 20 0 ADADLO CC[C@@]1(O)CCN(c2cccc[nH+]2)C1 335337627 346390972 /nfs/dbraw/zinc/39/09/72/346390972.db2.gz TXZOQMGAZLJECV-LLVKDONJSA-N 1 2 192.262 1.433 20 0 ADADLO CCc1noc(C)c1Cn1cc[nH+]c1 335807072 346421140 /nfs/dbraw/zinc/42/11/40/346421140.db2.gz WFLAQZAAMNUUJX-UHFFFAOYSA-N 1 2 191.234 1.790 20 0 ADADLO Cc1cc(N2C[C@@H](C)[C@@H](C)C2)nc[nH+]1 335676939 346413262 /nfs/dbraw/zinc/41/32/62/346413262.db2.gz WOQCXDJROKCZHN-DTORHVGOSA-N 1 2 191.278 1.877 20 0 ADADLO CC1(C)CC[N@@H+](Cc2cn[nH]n2)C1 336192689 346444173 /nfs/dbraw/zinc/44/41/73/346444173.db2.gz XIUKYMHVVUPDND-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@H](F)C2)on1 336259568 346448948 /nfs/dbraw/zinc/44/89/48/346448948.db2.gz MMPWHLPHXDMYAB-QMMMGPOBSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1nnc(C[N@@H+](C)[C@@H]2CC2(C)C)[nH]1 336276389 346451257 /nfs/dbraw/zinc/45/12/57/346451257.db2.gz NVLGDJOLTNLNAR-MRVPVSSYSA-N 1 2 194.282 1.343 20 0 ADADLO Cc1cnc(C[N@@H+]2CC[C@@](C)(F)C2)o1 336437502 346463086 /nfs/dbraw/zinc/46/30/86/346463086.db2.gz UGUVJDFOANROCZ-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cnc(C[N@H+]2CC[C@@](C)(F)C2)o1 336437502 346463087 /nfs/dbraw/zinc/46/30/87/346463087.db2.gz UGUVJDFOANROCZ-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cnc(Cn2cc[nH+]c2)cn1 336481277 346466456 /nfs/dbraw/zinc/46/64/56/346466456.db2.gz JAOOBFFBLACSFJ-UHFFFAOYSA-N 1 2 174.207 1.030 20 0 ADADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)CO1 336576157 346475977 /nfs/dbraw/zinc/47/59/77/346475977.db2.gz BVDHJZJYAYYOGK-BDAKNGLRSA-N 1 2 195.266 1.019 20 0 ADADLO Cc1occc1C[NH2+]Cc1ncc[nH]1 379648213 346527917 /nfs/dbraw/zinc/52/79/17/346527917.db2.gz BQHJXXUPKNCHAY-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO CC[C@H]1CC[C@H]1[NH2+][C@H](C)C(=O)OC 388928082 346569698 /nfs/dbraw/zinc/56/96/98/346569698.db2.gz SZZRVKNWJFAJSP-HRDYMLBCSA-N 1 2 185.267 1.326 20 0 ADADLO CC[C@H]1CC[C@@H]1[NH2+][C@H](C)C(=O)OC 388928084 346569928 /nfs/dbraw/zinc/56/99/28/346569928.db2.gz SZZRVKNWJFAJSP-VGMNWLOBSA-N 1 2 185.267 1.326 20 0 ADADLO CC/C=C/C[NH2+][C@H](C(=O)OC)C1CC1 384794003 346539310 /nfs/dbraw/zinc/53/93/10/346539310.db2.gz WEBHLAPOWGPXAO-YEZKRMTDSA-N 1 2 197.278 1.494 20 0 ADADLO CC[C@H]([NH2+]CC1=CCCC1)C(=O)OC 401109860 346602927 /nfs/dbraw/zinc/60/29/27/346602927.db2.gz IZGORNHDZMOTJV-JTQLQIEISA-N 1 2 197.278 1.638 20 0 ADADLO NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 592470629 346832119 /nfs/dbraw/zinc/83/21/19/346832119.db2.gz PEHVKGHUTYOMIE-SSDOTTSWSA-N 1 2 194.238 1.015 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C 593277389 346838980 /nfs/dbraw/zinc/83/89/80/346838980.db2.gz HWCGDGXZFMUKGM-VXNVDRBHSA-N 1 2 190.246 1.406 20 0 ADADLO CC(C)OC(=O)C[C@H](C)n1cc[nH+]c1 593417269 346838994 /nfs/dbraw/zinc/83/89/94/346838994.db2.gz BXALXGOISOMCOA-VIFPVBQESA-N 1 2 196.250 1.786 20 0 ADADLO CC(C)OC(=O)C[C@@H](C)n1cc[nH+]c1 593417268 346838998 /nfs/dbraw/zinc/83/89/98/346838998.db2.gz BXALXGOISOMCOA-SECBINFHSA-N 1 2 196.250 1.786 20 0 ADADLO CCOCCC[N@H+](C)CC(F)F 607729340 346993438 /nfs/dbraw/zinc/99/34/38/346993438.db2.gz RVMWNKTZDQOMBR-UHFFFAOYSA-N 1 2 181.226 1.610 20 0 ADADLO CCOCCC[N@@H+](C)CC(F)F 607729340 346993439 /nfs/dbraw/zinc/99/34/39/346993439.db2.gz RVMWNKTZDQOMBR-UHFFFAOYSA-N 1 2 181.226 1.610 20 0 ADADLO COC[C@@H](C)[N@H+](C)Cc1cc(C)on1 613453984 347060323 /nfs/dbraw/zinc/06/03/23/347060323.db2.gz TZXMYOKONNOYBK-MRVPVSSYSA-N 1 2 198.266 1.450 20 0 ADADLO COCC[N@@H+](C)[C@@H](C)c1nc(C)no1 614370649 347070644 /nfs/dbraw/zinc/07/06/44/347070644.db2.gz INTPHJUXFXDNIH-ZETCQYMHSA-N 1 2 199.254 1.017 20 0 ADADLO C[C@@H](NC(=O)CCCF)c1[nH]cc[nH+]1 615157632 347077448 /nfs/dbraw/zinc/07/74/48/347077448.db2.gz DUSNNCYAQZLRPO-SSDOTTSWSA-N 1 2 199.229 1.337 20 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/nfs/dbraw/zinc/41/37/59/347413759.db2.gz HKMBHLGOOBHITM-NXEZZACHSA-N 1 2 193.246 1.885 20 0 ADADLO CC[C@H]1C[N@H+](CC(C)=O)C[C@H](C)O1 639486274 347520630 /nfs/dbraw/zinc/52/06/30/347520630.db2.gz JJBDDLKUXBMIOJ-UWVGGRQHSA-N 1 2 185.267 1.075 20 0 ADADLO CC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 639619171 347528829 /nfs/dbraw/zinc/52/88/29/347528829.db2.gz YSQSEWHTUCIXFR-KOLCDFICSA-N 1 2 197.278 1.075 20 0 ADADLO CC(=O)C[N@@H+]1C[C@H](C2CC2)O[C@H](C)C1 639619172 347528855 /nfs/dbraw/zinc/52/88/55/347528855.db2.gz YSQSEWHTUCIXFR-MWLCHTKSSA-N 1 2 197.278 1.075 20 0 ADADLO Cn1ncc2c1C[N@@H+](CC1CC1)C2 639321686 347510793 /nfs/dbraw/zinc/51/07/93/347510793.db2.gz XZIIKHAQRNISOO-UHFFFAOYSA-N 1 2 177.251 1.146 20 0 ADADLO Cc1nc(C[NH2+]C2(C)COC2)cs1 639382615 347514998 /nfs/dbraw/zinc/51/49/98/347514998.db2.gz UKRZQRMJMQFYAH-UHFFFAOYSA-N 1 2 198.291 1.330 20 0 ADADLO CC[C@H](CCO)Nc1cc[nH+]cc1F 641389345 347571608 /nfs/dbraw/zinc/57/16/08/347571608.db2.gz MKRFTYZNSZIHIZ-MRVPVSSYSA-N 1 2 198.241 1.216 20 0 ADADLO CC1(CNc2cc(CO)cc[nH+]2)CC1 641415675 347572252 /nfs/dbraw/zinc/57/22/52/347572252.db2.gz WSFHFIDKSFHART-UHFFFAOYSA-N 1 2 192.262 1.786 20 0 ADADLO CC[N@H+](Cc1nnc(C)o1)C1CC1 642095748 347589681 /nfs/dbraw/zinc/58/96/81/347589681.db2.gz WXWCPSXKHYWWIM-UHFFFAOYSA-N 1 2 181.239 1.362 20 0 ADADLO CC[N@@H+](Cc1nnc(C)o1)C1CC1 642095748 347589682 /nfs/dbraw/zinc/58/96/82/347589682.db2.gz WXWCPSXKHYWWIM-UHFFFAOYSA-N 1 2 181.239 1.362 20 0 ADADLO CC[C@@H](CO)N(C)c1cc[nH+]cc1F 641614747 347577521 /nfs/dbraw/zinc/57/75/21/347577521.db2.gz WSHHXHWIESJGEK-QMMMGPOBSA-N 1 2 198.241 1.428 20 0 ADADLO CO[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1F 641602579 347577597 /nfs/dbraw/zinc/57/75/97/347577597.db2.gz RDRGDCPDOHRUDR-SFYZADRCSA-N 1 2 198.241 1.478 20 0 ADADLO CC[C@@H](C[N@H+]1CCC(F)(F)C1)OC 642700274 347601884 /nfs/dbraw/zinc/60/18/84/347601884.db2.gz XKQRAPVBZKNDAH-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO c1ccc(NC[C@H]2CCCOC2)[nH+]c1 38046435 351478496 /nfs/dbraw/zinc/47/84/96/351478496.db2.gz KCVLPXPHUROFIR-SNVBAGLBSA-N 1 2 192.262 1.920 20 0 ADADLO c1ccc(NCc2cncnc2)[nH+]c1 83341146 351645104 /nfs/dbraw/zinc/64/51/04/351645104.db2.gz DBHFICNYODFKBO-UHFFFAOYSA-N 1 2 186.218 1.484 20 0 ADADLO Fc1c[nH+]ccc1N[C@H]1CCSC1 575469351 352279556 /nfs/dbraw/zinc/27/95/56/352279556.db2.gz VVBNEFHLCJYTQZ-ZETCQYMHSA-N 1 2 198.266 1.560 20 0 ADADLO C[C@H]1C[C@H]1CNc1cc[nH+]cc1F 575520045 352510357 /nfs/dbraw/zinc/51/03/57/352510357.db2.gz DAJWHSKEIOTTOV-YUMQZZPRSA-N 1 2 180.226 1.711 20 0 ADADLO CCCN(C)c1cc(CO)cc[nH+]1 40865238 409347754 /nfs/dbraw/zinc/34/77/54/409347754.db2.gz AVUXDVLKFYKFOU-UHFFFAOYSA-N 1 2 180.251 1.420 20 0 ADADLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)C(C)C 653798984 409380570 /nfs/dbraw/zinc/38/05/70/409380570.db2.gz YPOLKFNLUAAEAH-UHFFFAOYSA-N 1 2 198.270 1.131 20 0 ADADLO CC(C)=CC[N@H+](C)Cc1nc(C)no1 653888860 409383482 /nfs/dbraw/zinc/38/34/82/409383482.db2.gz IWSVNAKIRWWITJ-UHFFFAOYSA-N 1 2 195.266 1.776 20 0 ADADLO Cn1cc[nH+]c1[C@H]1CCC(=O)C1 70738512 325605781 /nfs/dbraw/zinc/60/57/81/325605781.db2.gz BGKFWMRHNPHESE-ZETCQYMHSA-N 1 2 164.208 1.257 20 0 ADADLO CC(C)(C)OC(=O)[C@H]1C[C@@H](F)C[NH2+]1 148861538 325624977 /nfs/dbraw/zinc/62/49/77/325624977.db2.gz JMORIDAQGDQESW-RNFRBKRXSA-N 1 2 189.230 1.028 20 0 ADADLO Cn1c[nH+]cc1-c1ccc(C=O)cc1 221361663 325628762 /nfs/dbraw/zinc/62/87/62/325628762.db2.gz XNIPWUOEEZHYLU-UHFFFAOYSA-N 1 2 186.214 1.900 20 0 ADADLO COC(=O)[C@@H]1[NH2+]CC12CCCCC2 521401234 325645236 /nfs/dbraw/zinc/64/52/36/325645236.db2.gz VVYLPAARFYPZPH-QMMMGPOBSA-N 1 2 183.251 1.082 20 0 ADADLO C[C@H]([NH2+]CCF)c1ncccc1F 528825373 325660318 /nfs/dbraw/zinc/66/03/18/325660318.db2.gz QOTHDOAUBTWFFB-ZETCQYMHSA-N 1 2 186.205 1.841 20 0 ADADLO C[C@@H]1C[NH2+]c2ccc(N)cc21 536954678 325670493 /nfs/dbraw/zinc/67/04/93/325670493.db2.gz XKZZXYQEAYCMIM-ZCFIWIBFSA-N 1 2 148.209 1.798 20 0 ADADLO Cc1[nH+]cc(C=O)c(C)c1O 1712399 342961170 /nfs/dbraw/zinc/96/11/70/342961170.db2.gz IJHVAOYKWDPKSB-UHFFFAOYSA-N 1 2 151.165 1.217 20 0 ADADLO CCc1ccc(O)c(C)[nH+]1 5140312 342999069 /nfs/dbraw/zinc/99/90/69/342999069.db2.gz WAMHERRLMJDWQC-UHFFFAOYSA-N 1 2 137.182 1.658 20 0 ADADLO Cc1c[nH+]c2c(c1)CCC2 5160440 342999465 /nfs/dbraw/zinc/99/94/65/342999465.db2.gz HTSNODFENVAWHZ-UHFFFAOYSA-N 1 2 133.194 1.879 20 0 ADADLO Cc1c[nH+]c2c(c1)NCC2 18532178 343048857 /nfs/dbraw/zinc/04/88/57/343048857.db2.gz RYLATXGLBCLUBM-UHFFFAOYSA-N 1 2 134.182 1.358 20 0 ADADLO CC(C)Oc1ccc(N)[nH+]c1 19869270 343062675 /nfs/dbraw/zinc/06/26/75/343062675.db2.gz PMUFHKXRJSXARI-UHFFFAOYSA-N 1 2 152.197 1.451 20 0 ADADLO Cc1noc(C)c1Cn1cc[nH+]c1 24547616 343085938 /nfs/dbraw/zinc/08/59/38/343085938.db2.gz UEVRISFCWXAMLX-UHFFFAOYSA-N 1 2 177.207 1.536 20 0 ADADLO Cc1nc2[nH]ccc2c(NC2CC2)[nH+]1 27899440 343091298 /nfs/dbraw/zinc/09/12/98/343091298.db2.gz DHBVPMHLYDQADO-UHFFFAOYSA-N 1 2 188.234 1.841 20 0 ADADLO Cc1cc(C)nc(-n2cc[nH+]c2)n1 32769790 343103432 /nfs/dbraw/zinc/10/34/32/343103432.db2.gz BDFBRGDIPYYYQI-UHFFFAOYSA-N 1 2 174.207 1.279 20 0 ADADLO CCOC(=O)CCCn1cc[nH+]c1 33866651 343107803 /nfs/dbraw/zinc/10/78/03/343107803.db2.gz RDNHWIOBCYOAMM-UHFFFAOYSA-N 1 2 182.223 1.226 20 0 ADADLO CNc1[nH+]c(C)ccc1C(=O)OC 34195712 343113313 /nfs/dbraw/zinc/11/33/13/343113313.db2.gz SWMVKQYNIHVZHG-UHFFFAOYSA-N 1 2 180.207 1.218 20 0 ADADLO Cc1cc([NH3+])c(C)c(C)c1N 34223015 343114190 /nfs/dbraw/zinc/11/41/90/343114190.db2.gz IFUXXUAAJBKDGO-UHFFFAOYSA-N 1 2 150.225 1.776 20 0 in-vitro ADADLO C[C@@H]1CCN(c2cccc[nH+]2)C1 34741997 343124502 /nfs/dbraw/zinc/12/45/02/343124502.db2.gz STCOSZJMWDCOLG-SECBINFHSA-N 1 2 162.236 1.928 20 0 ADADLO Cc1cc2[nH+]cn(CCO)c2cc1C 35117104 343128213 /nfs/dbraw/zinc/12/82/13/343128213.db2.gz PEWXZZXSQIRFCS-UHFFFAOYSA-N 1 2 190.246 1.645 20 0 ADADLO CCCNC(=O)CNc1cccc[nH+]1 35133826 343128896 /nfs/dbraw/zinc/12/88/96/343128896.db2.gz KEGSIBGOSBOZDR-UHFFFAOYSA-N 1 2 193.250 1.020 20 0 ADADLO CC(C)NC(=O)CNc1cccc[nH+]1 35137322 343128906 /nfs/dbraw/zinc/12/89/06/343128906.db2.gz ICWJUEKGYOUKDY-UHFFFAOYSA-N 1 2 193.250 1.018 20 0 ADADLO CCOCCNc1cccc[nH+]1 36229976 343142062 /nfs/dbraw/zinc/14/20/62/343142062.db2.gz SHXLLRTVTUFZJX-UHFFFAOYSA-N 1 2 166.224 1.530 20 0 ADADLO CCc1[nH]c2cccc(N)c2[nH+]1 36281864 343143266 /nfs/dbraw/zinc/14/32/66/343143266.db2.gz VALMHZPWUACHOU-UHFFFAOYSA-N 1 2 161.208 1.708 20 0 ADADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 36900276 343153381 /nfs/dbraw/zinc/15/33/81/343153381.db2.gz MABHCECOAHAZTK-WCBMZHEXSA-N 1 2 195.266 1.067 20 0 ADADLO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 36900274 343153388 /nfs/dbraw/zinc/15/33/88/343153388.db2.gz MABHCECOAHAZTK-WPRPVWTQSA-N 1 2 195.266 1.067 20 0 ADADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccco1 36900354 343153394 /nfs/dbraw/zinc/15/33/94/343153394.db2.gz GONUEYRNONRETB-QMMMGPOBSA-N 1 2 191.234 1.854 20 0 ADADLO c1coc(CC[NH2+]Cc2ccn[nH]2)c1 36900347 343153424 /nfs/dbraw/zinc/15/34/24/343153424.db2.gz WBRSAEGZQHMTHI-UHFFFAOYSA-N 1 2 191.234 1.335 20 0 ADADLO CC[C@H](C)Oc1cc[nH+]cc1N 37715593 343176673 /nfs/dbraw/zinc/17/66/73/343176673.db2.gz DVWAZPQVWJQCFA-ZETCQYMHSA-N 1 2 166.224 1.841 20 0 ADADLO C[C@H]1CCC[C@H]([NH2+]Cc2ncn[nH]2)C1 37919141 343181613 /nfs/dbraw/zinc/18/16/13/343181613.db2.gz QMIPQIYGPGZARO-IUCAKERBSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@H]1CCC[C@@H]([NH2+]Cc2ncn[nH]2)C1 37919143 343181651 /nfs/dbraw/zinc/18/16/51/343181651.db2.gz QMIPQIYGPGZARO-DTWKUNHWSA-N 1 2 194.282 1.473 20 0 ADADLO Cc1n[nH]cc1CNc1cccc[nH+]1 38011992 343183426 /nfs/dbraw/zinc/18/34/26/343183426.db2.gz VAINKRSZSMJNKK-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO CCc1noc(C[NH+]2CCCCC2)n1 40049359 343214807 /nfs/dbraw/zinc/21/48/07/343214807.db2.gz PQRFJGBTLODVNV-UHFFFAOYSA-N 1 2 195.266 1.618 20 0 ADADLO Cc1cc(NC[C@H]2CCCO2)nc[nH+]1 40431430 343217957 /nfs/dbraw/zinc/21/79/57/343217957.db2.gz LXTFGPNNLHFFAY-SECBINFHSA-N 1 2 193.250 1.376 20 0 ADADLO CCCCOCC[NH2+]Cc1ccn[nH]1 40506799 343219484 /nfs/dbraw/zinc/21/94/84/343219484.db2.gz PSAXNBYOLKVLFQ-UHFFFAOYSA-N 1 2 197.282 1.316 20 0 ADADLO Cc1cc(NCC(C)C)nc[nH+]1 40726982 343221999 /nfs/dbraw/zinc/22/19/99/343221999.db2.gz BAAPYHHPTZNFIB-UHFFFAOYSA-N 1 2 165.240 1.853 20 0 ADADLO Cc1cc(N[C@H](C)C2CC2)nc[nH+]1 40727185 343222030 /nfs/dbraw/zinc/22/20/30/343222030.db2.gz UCZGESDOQCVBBB-MRVPVSSYSA-N 1 2 177.251 1.995 20 0 ADADLO CC[C@H](C)Nc1cc(C)[nH+]cn1 40726978 343222066 /nfs/dbraw/zinc/22/20/66/343222066.db2.gz GJALCWIILSGBOR-ZETCQYMHSA-N 1 2 165.240 1.995 20 0 ADADLO Cc1cc(NCC2CC2)nc[nH+]1 40726994 343222130 /nfs/dbraw/zinc/22/21/30/343222130.db2.gz ZSVKMRJAGJSHCE-UHFFFAOYSA-N 1 2 163.224 1.607 20 0 ADADLO Cc1cc(NC[C@H]2CCOC2)nc[nH+]1 40727404 343222206 /nfs/dbraw/zinc/22/22/06/343222206.db2.gz QRFHEKFAFDTOBX-SECBINFHSA-N 1 2 193.250 1.233 20 0 ADADLO Cc1cc(NC2CCOCC2)nc[nH+]1 40727232 343222214 /nfs/dbraw/zinc/22/22/14/343222214.db2.gz BXXPWVYIZNOZFH-UHFFFAOYSA-N 1 2 193.250 1.376 20 0 ADADLO Cc1cc(NC[C@@H]2CCOC2)nc[nH+]1 40727402 343222241 /nfs/dbraw/zinc/22/22/41/343222241.db2.gz QRFHEKFAFDTOBX-VIFPVBQESA-N 1 2 193.250 1.233 20 0 ADADLO Cc1cc(NC(C)C)nc[nH+]1 40726972 343222305 /nfs/dbraw/zinc/22/23/05/343222305.db2.gz JLQDHFSLOWUWMH-UHFFFAOYSA-N 1 2 151.213 1.605 20 0 ADADLO Cc1cc(NCC2CCC2)nc[nH+]1 40727125 343222323 /nfs/dbraw/zinc/22/23/23/343222323.db2.gz DSEGVFJCHGJLID-UHFFFAOYSA-N 1 2 177.251 1.997 20 0 ADADLO Cc1cc(N[C@@H](C)C2CC2)nc[nH+]1 40727183 343222339 /nfs/dbraw/zinc/22/23/39/343222339.db2.gz UCZGESDOQCVBBB-QMMMGPOBSA-N 1 2 177.251 1.995 20 0 ADADLO CCc1cc(NCCOC)nc[nH+]1 40764995 343222995 /nfs/dbraw/zinc/22/29/95/343222995.db2.gz DFDPSPAUJRYJQN-UHFFFAOYSA-N 1 2 181.239 1.097 20 0 ADADLO CCc1cc(N[C@H](CC)CO)nc[nH+]1 40765095 343223069 /nfs/dbraw/zinc/22/30/69/343223069.db2.gz UIBACTDZICLETQ-SECBINFHSA-N 1 2 195.266 1.222 20 0 ADADLO CCc1cc(N[C@@H](CC)CO)nc[nH+]1 40765094 343223152 /nfs/dbraw/zinc/22/31/52/343223152.db2.gz UIBACTDZICLETQ-VIFPVBQESA-N 1 2 195.266 1.222 20 0 ADADLO CCc1cc(NCC2CC2)nc[nH+]1 40765006 343223279 /nfs/dbraw/zinc/22/32/79/343223279.db2.gz LQESTWJNEQNMEN-UHFFFAOYSA-N 1 2 177.251 1.861 20 0 ADADLO CCc1cc(NC2CC2)nc[nH+]1 40764998 343223291 /nfs/dbraw/zinc/22/32/91/343223291.db2.gz WZEMWDQNDWZFHD-UHFFFAOYSA-N 1 2 163.224 1.613 20 0 ADADLO Cc1cc(NCc2cc[nH]n2)nc[nH+]1 41015927 343225054 /nfs/dbraw/zinc/22/50/54/343225054.db2.gz VKIFNTRBGAGJTI-UHFFFAOYSA-N 1 2 189.222 1.120 20 0 ADADLO Cc1ccc(C[NH2+]Cc2cc[nH]n2)o1 41013959 343225066 /nfs/dbraw/zinc/22/50/66/343225066.db2.gz LKOCQBQAEJPBEU-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO Cc1cc(C[NH2+]Cc2ccco2)on1 41042230 343226293 /nfs/dbraw/zinc/22/62/93/343226293.db2.gz SDFNHRMMZVTGEB-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO Cc1cnc(Cn2cc[nH+]c2)o1 41391523 343234555 /nfs/dbraw/zinc/23/45/55/343234555.db2.gz QBPIVLVDEJSVPY-UHFFFAOYSA-N 1 2 163.180 1.228 20 0 ADADLO Cc1cnc(C[NH+]2CCSCC2)o1 41366793 343234619 /nfs/dbraw/zinc/23/46/19/343234619.db2.gz QLWZVZOHNDSACH-UHFFFAOYSA-N 1 2 198.291 1.532 20 0 ADADLO C[C@H](Cn1cccn1)[NH2+]CC(F)F 42539826 343245057 /nfs/dbraw/zinc/24/50/57/343245057.db2.gz UJVVTSQKWLVNLB-SSDOTTSWSA-N 1 2 189.209 1.126 20 0 ADADLO COC(=O)[C@H]([NH2+]CC=C(C)C)C(C)C 43442152 343252088 /nfs/dbraw/zinc/25/20/88/343252088.db2.gz VIPSETJLRNCRBR-SNVBAGLBSA-N 1 2 199.294 1.740 20 0 ADADLO COC(=O)[C@@H]([NH2+]CC=C(C)C)C(C)C 43442151 343252223 /nfs/dbraw/zinc/25/22/23/343252223.db2.gz VIPSETJLRNCRBR-JTQLQIEISA-N 1 2 199.294 1.740 20 0 ADADLO Cc1nc(N)cc(-c2ccncc2)[nH+]1 44119155 343260282 /nfs/dbraw/zinc/26/02/82/343260282.db2.gz RSCFDSTVPOBTKH-UHFFFAOYSA-N 1 2 186.218 1.429 20 0 ADADLO Cc1cc(N)nc(-c2ccoc2)[nH+]1 44119458 343260316 /nfs/dbraw/zinc/26/03/16/343260316.db2.gz YYOZXYIKVVBCGJ-UHFFFAOYSA-N 1 2 175.191 1.627 20 0 ADADLO COCCCCNc1cccc[nH+]1 44348974 343263538 /nfs/dbraw/zinc/26/35/38/343263538.db2.gz HRAHDWONDHBQBU-UHFFFAOYSA-N 1 2 180.251 1.920 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@@H]1CC1(C)C 44370465 343264089 /nfs/dbraw/zinc/26/40/89/343264089.db2.gz QSQGDPQJCUDKRK-SECBINFHSA-N 1 2 179.267 1.606 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@H]1CC1(C)C 44370470 343264151 /nfs/dbraw/zinc/26/41/51/343264151.db2.gz QSQGDPQJCUDKRK-VIFPVBQESA-N 1 2 179.267 1.606 20 0 ADADLO Cc1cc(CNc2cccc[nH+]2)on1 44995635 343270103 /nfs/dbraw/zinc/27/01/03/343270103.db2.gz PHNAGNUIOQZFJD-UHFFFAOYSA-N 1 2 189.218 1.990 20 0 ADADLO CC1(C)C[C@@H]1[NH2+]Cc1ccn[nH]1 45117141 343271137 /nfs/dbraw/zinc/27/11/37/343271137.db2.gz HRURJTFLJKVEFM-QMMMGPOBSA-N 1 2 165.240 1.298 20 0 ADADLO CCCC[N@H+](CCO)CC(F)F 50106156 343278172 /nfs/dbraw/zinc/27/81/72/343278172.db2.gz BAMSUSMKKIMAKR-UHFFFAOYSA-N 1 2 181.226 1.346 20 0 ADADLO CCCC[N@@H+](CCO)CC(F)F 50106156 343278175 /nfs/dbraw/zinc/27/81/75/343278175.db2.gz BAMSUSMKKIMAKR-UHFFFAOYSA-N 1 2 181.226 1.346 20 0 ADADLO CC(C)Cc1nc(N)cc[nH+]1 50847012 343286072 /nfs/dbraw/zinc/28/60/72/343286072.db2.gz LEKFRNFLTCMURJ-UHFFFAOYSA-N 1 2 151.213 1.257 20 0 ADADLO Cc1[nH+]c(CC(C)C)nc(N)c1C 50847252 343286274 /nfs/dbraw/zinc/28/62/74/343286274.db2.gz VXDRKVYEKCFJLR-UHFFFAOYSA-N 1 2 179.267 1.874 20 0 ADADLO CCc1cc(N)nc(C2CC2)[nH+]1 50846192 343286280 /nfs/dbraw/zinc/28/62/80/343286280.db2.gz IGQQCRVIQUNPSU-UHFFFAOYSA-N 1 2 163.224 1.499 20 0 ADADLO CCc1c(N)nc(C2CC2)[nH+]c1C 50845336 343286435 /nfs/dbraw/zinc/28/64/35/343286435.db2.gz JAMUTVPHRBQIIS-UHFFFAOYSA-N 1 2 177.251 1.807 20 0 ADADLO CCC(CC)c1nc(N)cc[nH+]1 51690807 343291708 /nfs/dbraw/zinc/29/17/08/343291708.db2.gz TZAKZXZNWBWZKQ-UHFFFAOYSA-N 1 2 165.240 1.962 20 0 ADADLO OCCC[C@H]1CCC[N@@H+]1CC(F)F 52761754 343306884 /nfs/dbraw/zinc/30/68/84/343306884.db2.gz KNKIZYJQCWJHIV-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO OCCC[C@H]1CCC[N@H+]1CC(F)F 52761754 343306886 /nfs/dbraw/zinc/30/68/86/343306886.db2.gz KNKIZYJQCWJHIV-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO COCCSCc1ccc[nH+]c1N 52756348 343307151 /nfs/dbraw/zinc/30/71/51/343307151.db2.gz SHPWBJPRCFRXER-UHFFFAOYSA-N 1 2 198.291 1.543 20 0 ADADLO Cc1ccc(C[NH2+]Cc2ncc[nH]2)o1 53036971 343312534 /nfs/dbraw/zinc/31/25/34/343312534.db2.gz KAMWMBNSZXCIPB-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO COCCCNc1cc[nH+]c(C)n1 54935776 343331688 /nfs/dbraw/zinc/33/16/88/343331688.db2.gz XPRNYDBKILMCSZ-UHFFFAOYSA-N 1 2 181.239 1.233 20 0 ADADLO CCCCNc1cc[nH+]c(C)n1 54935673 343331696 /nfs/dbraw/zinc/33/16/96/343331696.db2.gz YLRVMPNHONPJEZ-UHFFFAOYSA-N 1 2 165.240 1.997 20 0 ADADLO CC[C@H](C)Nc1cc[nH+]c(C)n1 54935624 343331745 /nfs/dbraw/zinc/33/17/45/343331745.db2.gz VMPOCZFCFGMHSM-ZETCQYMHSA-N 1 2 165.240 1.995 20 0 ADADLO Cc1nc(NC2CC2)cc[nH+]1 54935626 343331810 /nfs/dbraw/zinc/33/18/10/343331810.db2.gz GRGAJAMDAFMPIK-UHFFFAOYSA-N 1 2 149.197 1.359 20 0 ADADLO Cc1nc(NC(C)C)cc[nH+]1 54935618 343331867 /nfs/dbraw/zinc/33/18/67/343331867.db2.gz KYOVUTWPPBXXDL-UHFFFAOYSA-N 1 2 151.213 1.605 20 0 ADADLO Cc1nc(NC[C@H]2CCCO2)cc[nH+]1 54935753 343331906 /nfs/dbraw/zinc/33/19/06/343331906.db2.gz YVYSNKZQVWAHNN-SECBINFHSA-N 1 2 193.250 1.376 20 0 ADADLO Cc1nc(NCC(C)C)cc[nH+]1 54935627 343331913 /nfs/dbraw/zinc/33/19/13/343331913.db2.gz QGRVTBIUOCPKFE-UHFFFAOYSA-N 1 2 165.240 1.853 20 0 ADADLO CCOCCCNc1cc[nH+]c(C)n1 54935750 343331928 /nfs/dbraw/zinc/33/19/28/343331928.db2.gz PPYWVPSSHJMLTD-UHFFFAOYSA-N 1 2 195.266 1.624 20 0 ADADLO Cc1nc(N[C@@H](C)C2CC2)cc[nH+]1 54935839 343331937 /nfs/dbraw/zinc/33/19/37/343331937.db2.gz KNZBNDGAMFEJHN-ZETCQYMHSA-N 1 2 177.251 1.995 20 0 ADADLO Cc1nc(NCC2CCC2)cc[nH+]1 54935787 343331958 /nfs/dbraw/zinc/33/19/58/343331958.db2.gz PFZATLYUAJTGRR-UHFFFAOYSA-N 1 2 177.251 1.997 20 0 ADADLO COCCCCNc1cc[nH+]c(C)n1 54936353 343332070 /nfs/dbraw/zinc/33/20/70/343332070.db2.gz MSBMWNMITXHHHV-UHFFFAOYSA-N 1 2 195.266 1.624 20 0 ADADLO CCOCCNc1cc[nH+]c(C)n1 54935883 343332166 /nfs/dbraw/zinc/33/21/66/343332166.db2.gz NPUNEOWSLFGBIH-UHFFFAOYSA-N 1 2 181.239 1.233 20 0 ADADLO COC[C@@H](C)CNc1cc[nH+]c(C)n1 54936425 343332181 /nfs/dbraw/zinc/33/21/81/343332181.db2.gz UMUAJKYNVUSHCC-QMMMGPOBSA-N 1 2 195.266 1.479 20 0 ADADLO COC[C@H](C)CNc1cc[nH+]c(C)n1 54936422 343332334 /nfs/dbraw/zinc/33/23/34/343332334.db2.gz UMUAJKYNVUSHCC-MRVPVSSYSA-N 1 2 195.266 1.479 20 0 ADADLO Cc1nc(NC[C@@H]2CCOC2)cc[nH+]1 54936046 343332353 /nfs/dbraw/zinc/33/23/53/343332353.db2.gz DGZZWDJNUQCHCA-VIFPVBQESA-N 1 2 193.250 1.233 20 0 ADADLO CO[C@@H](C)CNc1cccc[nH+]1 59451259 343344981 /nfs/dbraw/zinc/34/49/81/343344981.db2.gz SPUGPSDBSJSORH-QMMMGPOBSA-N 1 2 166.224 1.528 20 0 ADADLO CO[C@H](C)CNc1cccc[nH+]1 59451260 343345118 /nfs/dbraw/zinc/34/51/18/343345118.db2.gz SPUGPSDBSJSORH-MRVPVSSYSA-N 1 2 166.224 1.528 20 0 ADADLO Clc1csc(-n2cc[nH+]c2)n1 59511753 343345362 /nfs/dbraw/zinc/34/53/62/343345362.db2.gz NWPUFYNOKGVUSA-UHFFFAOYSA-N 1 2 185.639 1.982 20 0 ADADLO Cc1cccc(CCn2cc[nH+]c2)n1 59601943 343346162 /nfs/dbraw/zinc/34/61/62/343346162.db2.gz GYYMOAGAEJUECL-UHFFFAOYSA-N 1 2 187.246 1.829 20 0 ADADLO CCc1c(N)ccc([NH3+])c1CC 60199205 343351444 /nfs/dbraw/zinc/35/14/44/343351444.db2.gz ABQQPHFTJYCSIA-UHFFFAOYSA-N 1 2 164.252 1.976 20 0 ADADLO CC[NH2+]C(C)(C)C(=O)OC(C)(C)C 61171820 343355535 /nfs/dbraw/zinc/35/55/35/343355535.db2.gz XHISHSUPDKWOLL-UHFFFAOYSA-N 1 2 187.283 1.716 20 0 ADADLO C[C@H]1C[C@H]1C(=O)Nc1ccc(N)[nH+]c1 61680501 343360183 /nfs/dbraw/zinc/36/01/83/343360183.db2.gz XPKLBGBSVAHCFI-POYBYMJQSA-N 1 2 191.234 1.258 20 0 ADADLO CCC(=O)Nc1ccc(N)[nH+]c1 61680386 343360224 /nfs/dbraw/zinc/36/02/24/343360224.db2.gz OXNRLCLQUQQZHO-UHFFFAOYSA-N 1 2 165.196 1.012 20 0 ADADLO CCCCC(=O)Nc1ccc(N)[nH+]c1 61680325 343360301 /nfs/dbraw/zinc/36/03/01/343360301.db2.gz NYVYLJGFBRGPDG-UHFFFAOYSA-N 1 2 193.250 1.793 20 0 ADADLO CCCC(=O)Nc1ccc(N)[nH+]c1 61680328 343360315 /nfs/dbraw/zinc/36/03/15/343360315.db2.gz WTXVJQHGSDFVPR-UHFFFAOYSA-N 1 2 179.223 1.402 20 0 ADADLO C[C@H]1C[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 61680499 343360333 /nfs/dbraw/zinc/36/03/33/343360333.db2.gz XPKLBGBSVAHCFI-XPUUQOCRSA-N 1 2 191.234 1.258 20 0 ADADLO CC[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 61680521 343360338 /nfs/dbraw/zinc/36/03/38/343360338.db2.gz YEPCQWWCXHLPBN-ZETCQYMHSA-N 1 2 193.250 1.648 20 0 ADADLO c1cc(C[NH2+]Cc2ccoc2)n[nH]1 62103733 343371478 /nfs/dbraw/zinc/37/14/78/343371478.db2.gz OTYLUKUIPVBXET-UHFFFAOYSA-N 1 2 177.207 1.293 20 0 ADADLO CCc1nnc(C[NH+]2CCCCC2)o1 62640033 343377085 /nfs/dbraw/zinc/37/70/85/343377085.db2.gz NKXKMKMUOBJOQN-UHFFFAOYSA-N 1 2 195.266 1.618 20 0 ADADLO FC(F)(F)CC[NH2+]Cc1ccn[nH]1 63099447 343402551 /nfs/dbraw/zinc/40/25/51/343402551.db2.gz SBPPCAVYGBJUQV-UHFFFAOYSA-N 1 2 193.172 1.452 20 0 ADADLO c1cncc(Cn2cc[nH+]c2)c1 64637988 343407742 /nfs/dbraw/zinc/40/77/42/343407742.db2.gz IRLWEKCRDMFHQW-UHFFFAOYSA-N 1 2 159.192 1.326 20 0 ADADLO CC(C)[C@H]1Nc2[nH+]cccc2NC1=O 68575292 343411080 /nfs/dbraw/zinc/41/10/80/343411080.db2.gz BHQXQWNKWRIDPE-MRVPVSSYSA-N 1 2 191.234 1.470 20 0 ADADLO CC(C)[C@@H]1Nc2[nH+]cccc2NC1=O 68575293 343411391 /nfs/dbraw/zinc/41/13/91/343411391.db2.gz BHQXQWNKWRIDPE-QMMMGPOBSA-N 1 2 191.234 1.470 20 0 ADADLO CSCCNc1cc(C)[nH+]cn1 68944590 343415950 /nfs/dbraw/zinc/41/59/50/343415950.db2.gz NSKIWNUQRVUCRZ-UHFFFAOYSA-N 1 2 183.280 1.560 20 0 ADADLO CCc1cc(NCCSC)nc[nH+]1 69012556 343420611 /nfs/dbraw/zinc/42/06/11/343420611.db2.gz HQNBUFQVQKWQLC-UHFFFAOYSA-N 1 2 197.307 1.814 20 0 ADADLO CSCCCNc1cc[nH+]c(C)n1 69012753 343420640 /nfs/dbraw/zinc/42/06/40/343420640.db2.gz PAOQOXVSHMFTKB-UHFFFAOYSA-N 1 2 197.307 1.950 20 0 ADADLO CSCCNc1cc[nH+]c(C)n1 69012464 343420771 /nfs/dbraw/zinc/42/07/71/343420771.db2.gz YONZWSHLCSMUKC-UHFFFAOYSA-N 1 2 183.280 1.560 20 0 ADADLO CSCCCNc1cc(C)[nH+]cn1 69012891 343420840 /nfs/dbraw/zinc/42/08/40/343420840.db2.gz ZKQGTHHZAHZGNO-UHFFFAOYSA-N 1 2 197.307 1.950 20 0 ADADLO C[C@H](C(=O)N1CCCC1)n1cc[nH+]c1 70162503 343476084 /nfs/dbraw/zinc/47/60/84/343476084.db2.gz XWUBMOCVNZKATA-SECBINFHSA-N 1 2 193.250 1.067 20 0 ADADLO C[C@@H](C(=O)N1CCCC1)n1cc[nH+]c1 70162502 343476347 /nfs/dbraw/zinc/47/63/47/343476347.db2.gz XWUBMOCVNZKATA-VIFPVBQESA-N 1 2 193.250 1.067 20 0 ADADLO CSCCNc1cccc[nH+]1 70183900 343476596 /nfs/dbraw/zinc/47/65/96/343476596.db2.gz NTMYWKWDHRKIPZ-UHFFFAOYSA-N 1 2 168.265 1.857 20 0 ADADLO FC(F)(F)COCCn1cc[nH+]c1 70162787 343476639 /nfs/dbraw/zinc/47/66/39/343476639.db2.gz QNIJVOFGHLLRJU-UHFFFAOYSA-N 1 2 194.156 1.462 20 0 ADADLO CCCc1nc(Cn2cc[nH+]c2)no1 70162791 343476844 /nfs/dbraw/zinc/47/68/44/343476844.db2.gz VYAZDUDYGWZJJJ-UHFFFAOYSA-N 1 2 192.222 1.267 20 0 ADADLO CSCC[NH2+]Cc1cn[nH]c1C 70184927 343477496 /nfs/dbraw/zinc/47/74/96/343477496.db2.gz WMSDIQVCRDFUDH-UHFFFAOYSA-N 1 2 185.296 1.171 20 0 ADADLO CC[C@@H](COC)Nc1cc[nH+]c(C)n1 70626016 343506741 /nfs/dbraw/zinc/50/67/41/343506741.db2.gz TXJVTFQCRVGQST-VIFPVBQESA-N 1 2 195.266 1.622 20 0 ADADLO CC[C@H](COC)Nc1cc(C)[nH+]cn1 70626061 343506868 /nfs/dbraw/zinc/50/68/68/343506868.db2.gz MYOYSMDTMRMZSU-SECBINFHSA-N 1 2 195.266 1.622 20 0 ADADLO CC[C@@H](COC)Nc1cc(C)[nH+]cn1 70626060 343506990 /nfs/dbraw/zinc/50/69/90/343506990.db2.gz MYOYSMDTMRMZSU-VIFPVBQESA-N 1 2 195.266 1.622 20 0 ADADLO CC[C@H](COC)Nc1cc[nH+]c(C)n1 70626017 343507007 /nfs/dbraw/zinc/50/70/07/343507007.db2.gz TXJVTFQCRVGQST-SECBINFHSA-N 1 2 195.266 1.622 20 0 ADADLO C[C@H]1CC[C@H]([NH2+]Cc2ncn[nH]2)C1 70643440 343514943 /nfs/dbraw/zinc/51/49/43/343514943.db2.gz BOALFKQHXHZAOW-YUMQZZPRSA-N 1 2 180.255 1.083 20 0 ADADLO C[C@@H]1CC[C@@H]([NH2+]Cc2ncn[nH]2)C1 70643441 343514968 /nfs/dbraw/zinc/51/49/68/343514968.db2.gz BOALFKQHXHZAOW-HTQZYQBOSA-N 1 2 180.255 1.083 20 0 ADADLO C[C@@H]1CC[C@H]([NH2+]Cc2ncn[nH]2)C1 70643439 343514991 /nfs/dbraw/zinc/51/49/91/343514991.db2.gz BOALFKQHXHZAOW-SFYZADRCSA-N 1 2 180.255 1.083 20 0 ADADLO C[C@H]1CC[C@@H]([NH2+]Cc2ncn[nH]2)C1 70643442 343515076 /nfs/dbraw/zinc/51/50/76/343515076.db2.gz BOALFKQHXHZAOW-JGVFFNPUSA-N 1 2 180.255 1.083 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CCC1 70650733 343518868 /nfs/dbraw/zinc/51/88/68/343518868.db2.gz AWDNIYGNEREUHI-UHFFFAOYSA-N 1 2 193.250 1.168 20 0 ADADLO C[C@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 70650715 343518885 /nfs/dbraw/zinc/51/88/85/343518885.db2.gz IZCRSXMTLBFKCY-YUMQZZPRSA-N 1 2 193.250 1.024 20 0 ADADLO CC[C@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 70650724 343518983 /nfs/dbraw/zinc/51/89/83/343518983.db2.gz TTWJYYUUVNJKFA-QMMMGPOBSA-N 1 2 195.266 1.414 20 0 ADADLO C[C@@H]1C[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 70650714 343519010 /nfs/dbraw/zinc/51/90/10/343519010.db2.gz IZCRSXMTLBFKCY-SFYZADRCSA-N 1 2 193.250 1.024 20 0 ADADLO CC[C@@H](C)C(=O)N(C)Cc1[nH]cc[nH+]1 70650723 343519014 /nfs/dbraw/zinc/51/90/14/343519014.db2.gz TTWJYYUUVNJKFA-MRVPVSSYSA-N 1 2 195.266 1.414 20 0 ADADLO C[C@@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 70650716 343519025 /nfs/dbraw/zinc/51/90/25/343519025.db2.gz IZCRSXMTLBFKCY-HTQZYQBOSA-N 1 2 193.250 1.024 20 0 ADADLO C[C@H]1C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 70650717 343519055 /nfs/dbraw/zinc/51/90/55/343519055.db2.gz IZCRSXMTLBFKCY-JGVFFNPUSA-N 1 2 193.250 1.024 20 0 ADADLO CCCCC(=O)N(C)Cc1[nH]cc[nH+]1 70650732 343519095 /nfs/dbraw/zinc/51/90/95/343519095.db2.gz CGRBHTVMWQFQJB-UHFFFAOYSA-N 1 2 195.266 1.558 20 0 ADADLO CC(C)CC(=O)N(C)Cc1[nH]cc[nH+]1 70650713 343519104 /nfs/dbraw/zinc/51/91/04/343519104.db2.gz FPOFYXDQECVBGO-UHFFFAOYSA-N 1 2 195.266 1.414 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1CC1 70650834 343519112 /nfs/dbraw/zinc/51/91/12/343519112.db2.gz NUPYWMDQMBJBGP-UHFFFAOYSA-N 1 2 193.250 1.168 20 0 ADADLO CC(C)(C)CC(=O)NCc1[nH]cc[nH+]1 70651487 343519202 /nfs/dbraw/zinc/51/92/02/343519202.db2.gz GBHFQCFDCOEPRD-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CCCCCC(=O)NCc1[nH]cc[nH+]1 70651498 343519210 /nfs/dbraw/zinc/51/92/10/343519210.db2.gz JCZNHKLMBZOSRF-UHFFFAOYSA-N 1 2 195.266 1.606 20 0 ADADLO CC[C@H](C)C(=O)NCc1[nH]cc[nH+]1 70651489 343519222 /nfs/dbraw/zinc/51/92/22/343519222.db2.gz MWBSGUSGQMYILX-ZETCQYMHSA-N 1 2 181.239 1.072 20 0 ADADLO CC(C)[C@H](C)C(=O)NCc1[nH]cc[nH+]1 70651589 343519233 /nfs/dbraw/zinc/51/92/33/343519233.db2.gz WWACCWMZZVMTDT-QMMMGPOBSA-N 1 2 195.266 1.318 20 0 ADADLO CC(C)[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 70651588 343519243 /nfs/dbraw/zinc/51/92/43/343519243.db2.gz WWACCWMZZVMTDT-MRVPVSSYSA-N 1 2 195.266 1.318 20 0 ADADLO CC(C)CC(=O)NCc1[nH]cc[nH+]1 70651461 343519350 /nfs/dbraw/zinc/51/93/50/343519350.db2.gz QFSYFNRASJOOOK-UHFFFAOYSA-N 1 2 181.239 1.072 20 0 ADADLO CCC[C@H](C)C(=O)NCc1[nH]cc[nH+]1 70651610 343519384 /nfs/dbraw/zinc/51/93/84/343519384.db2.gz FWKHUJFPXBJRCF-QMMMGPOBSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 70651488 343519390 /nfs/dbraw/zinc/51/93/90/343519390.db2.gz MWBSGUSGQMYILX-SSDOTTSWSA-N 1 2 181.239 1.072 20 0 ADADLO CCC(C)(C)C(=O)NCc1[nH]cc[nH+]1 70651648 343519395 /nfs/dbraw/zinc/51/93/95/343519395.db2.gz RPWTXYQRCYTMKZ-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CCC[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 70651609 343519429 /nfs/dbraw/zinc/51/94/29/343519429.db2.gz FWKHUJFPXBJRCF-MRVPVSSYSA-N 1 2 195.266 1.462 20 0 ADADLO CCCCC(=O)NCc1[nH]cc[nH+]1 70651462 343519472 /nfs/dbraw/zinc/51/94/72/343519472.db2.gz RVQMAPYCVSCMBJ-UHFFFAOYSA-N 1 2 181.239 1.216 20 0 ADADLO CC(C)CCC(=O)NCc1[nH]cc[nH+]1 70651464 343519481 /nfs/dbraw/zinc/51/94/81/343519481.db2.gz QULUIQKAVXJJFM-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CCC(CC)C(=O)NCc1[nH]cc[nH+]1 70651449 343519547 /nfs/dbraw/zinc/51/95/47/343519547.db2.gz UIUPUPHSCXZEFN-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO C[NH2+][C@@H](C)c1nc2cnccc2[nH]1 70801415 343532821 /nfs/dbraw/zinc/53/28/21/343532821.db2.gz MARPMWHLAYDACZ-LURJTMIESA-N 1 2 176.223 1.238 20 0 ADADLO C[NH2+][C@@H](C)c1nc2ccncc2[nH]1 70801415 343532823 /nfs/dbraw/zinc/53/28/23/343532823.db2.gz MARPMWHLAYDACZ-LURJTMIESA-N 1 2 176.223 1.238 20 0 ADADLO C[NH2+][C@H](C)c1nc2cnccc2[nH]1 70801417 343532867 /nfs/dbraw/zinc/53/28/67/343532867.db2.gz MARPMWHLAYDACZ-ZCFIWIBFSA-N 1 2 176.223 1.238 20 0 ADADLO C[NH2+][C@H](C)c1nc2ccncc2[nH]1 70801417 343532869 /nfs/dbraw/zinc/53/28/69/343532869.db2.gz MARPMWHLAYDACZ-ZCFIWIBFSA-N 1 2 176.223 1.238 20 0 ADADLO CC[C@@](C)(CO)Nc1cc(C)[nH+]cn1 70889213 343539449 /nfs/dbraw/zinc/53/94/49/343539449.db2.gz BSYDTIKZJZKUBA-JTQLQIEISA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@](C)(CO)Nc1cc[nH+]c(C)n1 70889595 343539469 /nfs/dbraw/zinc/53/94/69/343539469.db2.gz AQGKTHCKLZJGBZ-SNVBAGLBSA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@@](C)(CO)Nc1cc[nH+]c(C)n1 70889590 343539521 /nfs/dbraw/zinc/53/95/21/343539521.db2.gz AQGKTHCKLZJGBZ-JTQLQIEISA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@](C)(CO)Nc1cc(C)[nH+]cn1 70889217 343539542 /nfs/dbraw/zinc/53/95/42/343539542.db2.gz BSYDTIKZJZKUBA-SNVBAGLBSA-N 1 2 195.266 1.358 20 0 ADADLO Cc1cc[nH+]cc1NC1CCOCC1 70958342 343544409 /nfs/dbraw/zinc/54/44/09/343544409.db2.gz KDNLYPJMAHVBFY-UHFFFAOYSA-N 1 2 192.262 1.981 20 0 ADADLO Cc1cc([C@@H](C)O)cc(C)[nH+]1 78764397 343585194 /nfs/dbraw/zinc/58/51/94/343585194.db2.gz JLRYKGQVZKXJHU-MRVPVSSYSA-N 1 2 151.209 1.752 20 0 ADADLO OCc1cccn2c1[nH+]c1ccccc12 72190057 343559930 /nfs/dbraw/zinc/55/99/30/343559930.db2.gz KXACKVABLVEPDD-UHFFFAOYSA-N 1 2 198.225 1.980 20 0 in-vivo ADADLO Cc1cn(-c2ccc(N)[nH+]c2)cn1 72193005 343560624 /nfs/dbraw/zinc/56/06/24/343560624.db2.gz QUGLMFYBBMRGFT-UHFFFAOYSA-N 1 2 174.207 1.158 20 0 ADADLO Cc1nc(N)cc(Cc2ccccc2)[nH+]1 74214973 343570801 /nfs/dbraw/zinc/57/08/01/343570801.db2.gz MRBPYFQMZZZAFR-UHFFFAOYSA-N 1 2 199.257 1.958 20 0 ADADLO Cc1c[nH+]c2ccc(C=O)cn12 74341902 343572781 /nfs/dbraw/zinc/57/27/81/343572781.db2.gz UEUAURGKIBIBEJ-UHFFFAOYSA-N 1 2 160.176 1.455 20 0 ADADLO Cc1cc(NC(=O)C2CC2)cc[nH+]1 74932048 343575066 /nfs/dbraw/zinc/57/50/66/343575066.db2.gz JOXXUKWBVDHPTQ-UHFFFAOYSA-N 1 2 176.219 1.739 20 0 ADADLO CCOCCCn1cc[nH+]c1 78072091 343581840 /nfs/dbraw/zinc/58/18/40/343581840.db2.gz RBVSNZGUVIHVBP-UHFFFAOYSA-N 1 2 154.213 1.310 20 0 ADADLO CCc1cc(NC[C@H](C)CO)nc[nH+]1 78597970 343583857 /nfs/dbraw/zinc/58/38/57/343583857.db2.gz GDDDQFIZNFOZQG-QMMMGPOBSA-N 1 2 195.266 1.079 20 0 ADADLO CCc1cc(NC[C@@H](C)CO)nc[nH+]1 78597967 343583875 /nfs/dbraw/zinc/58/38/75/343583875.db2.gz GDDDQFIZNFOZQG-MRVPVSSYSA-N 1 2 195.266 1.079 20 0 ADADLO CCc1cc(NCC(C)(C)O)nc[nH+]1 78598117 343583900 /nfs/dbraw/zinc/58/39/00/343583900.db2.gz ZMILXRIZYYQDNB-UHFFFAOYSA-N 1 2 195.266 1.222 20 0 ADADLO CC[N@H+](CC(F)F)CC(C)(C)O 78748601 343584657 /nfs/dbraw/zinc/58/46/57/343584657.db2.gz INGBEDDBVWHTAY-UHFFFAOYSA-N 1 2 181.226 1.344 20 0 ADADLO CC[N@@H+](CC(F)F)CC(C)(C)O 78748601 343584659 /nfs/dbraw/zinc/58/46/59/343584659.db2.gz INGBEDDBVWHTAY-UHFFFAOYSA-N 1 2 181.226 1.344 20 0 ADADLO CC(C)OCCCn1cc[nH+]c1 78760084 343584971 /nfs/dbraw/zinc/58/49/71/343584971.db2.gz LEUHHFFBKDVSEU-UHFFFAOYSA-N 1 2 168.240 1.698 20 0 ADADLO Cc1cc([C@H](C)O)cc(C)[nH+]1 78764401 343585229 /nfs/dbraw/zinc/58/52/29/343585229.db2.gz JLRYKGQVZKXJHU-QMMMGPOBSA-N 1 2 151.209 1.752 20 0 ADADLO CCc1cc(NCC[C@H](C)O)nc[nH+]1 78771346 343585358 /nfs/dbraw/zinc/58/53/58/343585358.db2.gz YFMKETUQBPLYCB-QMMMGPOBSA-N 1 2 195.266 1.222 20 0 ADADLO C[C@H](O)CCNc1cccc[nH+]1 78777178 343585385 /nfs/dbraw/zinc/58/53/85/343585385.db2.gz GGZDMFZHLVHIGE-QMMMGPOBSA-N 1 2 166.224 1.264 20 0 ADADLO c1nc(CC[NH+]2CCOCC2)cs1 81118109 343593166 /nfs/dbraw/zinc/59/31/66/343593166.db2.gz RRKWILIRZQJFOB-UHFFFAOYSA-N 1 2 198.291 1.018 20 0 ADADLO COCC[C@@H](C)Nc1cc[nH+]c(C)n1 81717246 343593942 /nfs/dbraw/zinc/59/39/42/343593942.db2.gz ZBXPKVCINVCQBY-MRVPVSSYSA-N 1 2 195.266 1.622 20 0 ADADLO C[C@@H](NC(=O)C1CC1)c1[nH+]ccn1C 82275621 343597452 /nfs/dbraw/zinc/59/74/52/343597452.db2.gz LHFGOICQVMQUCI-SSDOTTSWSA-N 1 2 193.250 1.007 20 0 ADADLO CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 82274758 343597533 /nfs/dbraw/zinc/59/75/33/343597533.db2.gz NMGPMPMRYIXBJJ-VIFPVBQESA-N 1 2 193.250 1.136 20 0 ADADLO CC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 82274754 343597563 /nfs/dbraw/zinc/59/75/63/343597563.db2.gz RLWWQXNBGHHZLK-VIFPVBQESA-N 1 2 193.250 1.007 20 0 ADADLO CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 82274759 343597588 /nfs/dbraw/zinc/59/75/88/343597588.db2.gz NMGPMPMRYIXBJJ-SECBINFHSA-N 1 2 193.250 1.136 20 0 ADADLO C[C@H](NC(=O)C1CC1)c1[nH+]ccn1C 82275620 343597614 /nfs/dbraw/zinc/59/76/14/343597614.db2.gz LHFGOICQVMQUCI-ZETCQYMHSA-N 1 2 193.250 1.007 20 0 ADADLO COCC[C@@H](C)Nc1cccc[nH+]1 82367295 343599190 /nfs/dbraw/zinc/59/91/90/343599190.db2.gz OORHOLJTESEWIE-SECBINFHSA-N 1 2 180.251 1.919 20 0 ADADLO CCC(O)(CC)C[NH2+]Cc1ccn[nH]1 82394827 343600769 /nfs/dbraw/zinc/60/07/69/343600769.db2.gz QQZKXCONMZHWPY-UHFFFAOYSA-N 1 2 197.282 1.050 20 0 ADADLO Cc1cn2c(C=O)cccc2[nH+]1 82405325 343602050 /nfs/dbraw/zinc/60/20/50/343602050.db2.gz SUVMVBMUUAJUAE-UHFFFAOYSA-N 1 2 160.176 1.455 20 0 ADADLO CCCCN(CC)c1cc(N)nc[nH+]1 82426459 343603575 /nfs/dbraw/zinc/60/35/75/343603575.db2.gz ZRPGWPUNCPJGPD-UHFFFAOYSA-N 1 2 194.282 1.685 20 0 ADADLO Nc1cc(N2CCCCCC2)[nH+]cn1 82426411 343603666 /nfs/dbraw/zinc/60/36/66/343603666.db2.gz DREZDTWDGGXWLC-UHFFFAOYSA-N 1 2 192.266 1.439 20 0 ADADLO CCCCN(C)c1cc(N)nc[nH+]1 82427780 343603740 /nfs/dbraw/zinc/60/37/40/343603740.db2.gz YBGUONNVFOEPPB-UHFFFAOYSA-N 1 2 180.255 1.295 20 0 ADADLO CC(C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 82432655 343604393 /nfs/dbraw/zinc/60/43/93/343604393.db2.gz HRYRKDIQRIGRAQ-SECBINFHSA-N 1 2 195.266 1.044 20 0 ADADLO CCOCC(=O)Nc1cc[nH+]cc1C 82557155 343606342 /nfs/dbraw/zinc/60/63/42/343606342.db2.gz KDMDKNOOELBXHP-UHFFFAOYSA-N 1 2 194.234 1.365 20 0 ADADLO CCc1cc(-n2cc[nH+]c2)ncn1 82615590 343607781 /nfs/dbraw/zinc/60/77/81/343607781.db2.gz RMFJZZLNSALCGQ-UHFFFAOYSA-N 1 2 174.207 1.225 20 0 ADADLO CCCC(=O)N(C)Cc1[nH]cc[nH+]1 82681558 343609678 /nfs/dbraw/zinc/60/96/78/343609678.db2.gz ONQLPNVVBNNKSF-UHFFFAOYSA-N 1 2 181.239 1.168 20 0 ADADLO COCC[C@@H](C)Nc1cc(C)[nH+]cn1 82686913 343610224 /nfs/dbraw/zinc/61/02/24/343610224.db2.gz ITNGSSIXYMZJAO-MRVPVSSYSA-N 1 2 195.266 1.622 20 0 ADADLO COCC[C@H](C)Nc1cc(C)[nH+]cn1 82686912 343610319 /nfs/dbraw/zinc/61/03/19/343610319.db2.gz ITNGSSIXYMZJAO-QMMMGPOBSA-N 1 2 195.266 1.622 20 0 ADADLO CC[C@@](C)(O)CNc1cccc[nH+]1 82687883 343610730 /nfs/dbraw/zinc/61/07/30/343610730.db2.gz ZASYMMJGQQIVPY-SNVBAGLBSA-N 1 2 180.251 1.655 20 0 ADADLO CC[C@](C)(O)CNc1cc(C)[nH+]cn1 82687880 343610758 /nfs/dbraw/zinc/61/07/58/343610758.db2.gz WEZNTLHPATZWMM-JTQLQIEISA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@@](C)(O)CNc1cc(C)[nH+]cn1 82687881 343610871 /nfs/dbraw/zinc/61/08/71/343610871.db2.gz WEZNTLHPATZWMM-SNVBAGLBSA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@](C)(O)CNc1cccc[nH+]1 82687882 343610887 /nfs/dbraw/zinc/61/08/87/343610887.db2.gz ZASYMMJGQQIVPY-JTQLQIEISA-N 1 2 180.251 1.655 20 0 ADADLO CC(C)[NH2+][C@@H](C)C(=O)OC(C)(C)C 82776999 343612494 /nfs/dbraw/zinc/61/24/94/343612494.db2.gz QJDINOZQEIJTII-QMMMGPOBSA-N 1 2 187.283 1.715 20 0 ADADLO CC(C)[NH2+][C@H](C)C(=O)OC(C)(C)C 82777000 343612569 /nfs/dbraw/zinc/61/25/69/343612569.db2.gz QJDINOZQEIJTII-MRVPVSSYSA-N 1 2 187.283 1.715 20 0 ADADLO Cc1ccc(NCc2[nH]cc[nH+]2)cn1 83341365 343618745 /nfs/dbraw/zinc/61/87/45/343618745.db2.gz UFXOVRBILHEDCZ-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO COC[C@H]([NH2+]Cc1ccn[nH]1)C(C)C 83397792 343619190 /nfs/dbraw/zinc/61/91/90/343619190.db2.gz GLJJCPARNHVYGG-JTQLQIEISA-N 1 2 197.282 1.170 20 0 ADADLO COC[C@@H]([NH2+]Cc1ccn[nH]1)C(C)C 83397791 343619237 /nfs/dbraw/zinc/61/92/37/343619237.db2.gz GLJJCPARNHVYGG-SNVBAGLBSA-N 1 2 197.282 1.170 20 0 ADADLO CC[C@@](C)(O)CNc1cc[nH+]c(C)n1 83466619 343620314 /nfs/dbraw/zinc/62/03/14/343620314.db2.gz FJWNERVSZDIVGR-SNVBAGLBSA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@](C)(O)CNc1cc[nH+]c(C)n1 83466618 343620412 /nfs/dbraw/zinc/62/04/12/343620412.db2.gz FJWNERVSZDIVGR-JTQLQIEISA-N 1 2 195.266 1.358 20 0 ADADLO CC(C)CC(=O)NCc1c[nH+]c[nH]1 83823882 343625079 /nfs/dbraw/zinc/62/50/79/343625079.db2.gz UNNFNXHLGHYAEL-UHFFFAOYSA-N 1 2 181.239 1.072 20 0 ADADLO CC(C)CC(=O)NCc1c[nH]c[nH+]1 83823882 343625080 /nfs/dbraw/zinc/62/50/80/343625080.db2.gz UNNFNXHLGHYAEL-UHFFFAOYSA-N 1 2 181.239 1.072 20 0 ADADLO CNc1cc(N2CCCC2)nc[nH+]1 83824413 343625133 /nfs/dbraw/zinc/62/51/33/343625133.db2.gz XCUKOKFGOKFYMK-UHFFFAOYSA-N 1 2 178.239 1.119 20 0 ADADLO CNc1cc(N2CCCC2)[nH+]cn1 83824413 343625134 /nfs/dbraw/zinc/62/51/34/343625134.db2.gz XCUKOKFGOKFYMK-UHFFFAOYSA-N 1 2 178.239 1.119 20 0 ADADLO CC(C)CCC(=O)NCc1c[nH+]c[nH]1 83823886 343625183 /nfs/dbraw/zinc/62/51/83/343625183.db2.gz KLGVCLRSJQAFOG-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CC(C)CCC(=O)NCc1c[nH]c[nH+]1 83823886 343625186 /nfs/dbraw/zinc/62/51/86/343625186.db2.gz KLGVCLRSJQAFOG-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO Cc1cc(NCCC2CC2)nc[nH+]1 83911178 343627707 /nfs/dbraw/zinc/62/77/07/343627707.db2.gz NUVMKWFAGGVBMA-UHFFFAOYSA-N 1 2 177.251 1.997 20 0 ADADLO Cc1nc(NCCC2CC2)cc[nH+]1 83895522 343627752 /nfs/dbraw/zinc/62/77/52/343627752.db2.gz MULFZIAIZXSDCZ-UHFFFAOYSA-N 1 2 177.251 1.997 20 0 ADADLO CCc1csc([C@@H]2COCC[NH2+]2)n1 83983680 343629490 /nfs/dbraw/zinc/62/94/90/343629490.db2.gz LRCZIEBMHLXFHJ-QMMMGPOBSA-N 1 2 198.291 1.366 20 0 ADADLO CCc1csc([C@H]2COCC[NH2+]2)n1 83983681 343629525 /nfs/dbraw/zinc/62/95/25/343629525.db2.gz LRCZIEBMHLXFHJ-MRVPVSSYSA-N 1 2 198.291 1.366 20 0 ADADLO CC(C)Cc1cc(N)nc[nH+]1 84026643 343630027 /nfs/dbraw/zinc/63/00/27/343630027.db2.gz ACXDWECTUGZBJR-UHFFFAOYSA-N 1 2 151.213 1.257 20 0 ADADLO CC(C)(C)CC(=O)NCc1c[nH+]c[nH]1 84081811 343630414 /nfs/dbraw/zinc/63/04/14/343630414.db2.gz JLEZOEZBEPOCOB-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CC(C)(C)CC(=O)NCc1c[nH]c[nH+]1 84081811 343630416 /nfs/dbraw/zinc/63/04/16/343630416.db2.gz JLEZOEZBEPOCOB-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@H](C)C(=O)NCc1c[nH+]c[nH]1 84081624 343630423 /nfs/dbraw/zinc/63/04/23/343630423.db2.gz XLWXGWYTHOXAKI-ZETCQYMHSA-N 1 2 181.239 1.072 20 0 ADADLO CC[C@H](C)C(=O)NCc1c[nH]c[nH+]1 84081624 343630426 /nfs/dbraw/zinc/63/04/26/343630426.db2.gz XLWXGWYTHOXAKI-ZETCQYMHSA-N 1 2 181.239 1.072 20 0 ADADLO O=C(NCc1c[nH+]c[nH]1)C1CCCC1 84081633 343630542 /nfs/dbraw/zinc/63/05/42/343630542.db2.gz HZTUUBSFLHPJCR-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CCCCCC(=O)NCc1c[nH+]c[nH]1 84081699 343630599 /nfs/dbraw/zinc/63/05/99/343630599.db2.gz GMHIREDZWCYNHP-UHFFFAOYSA-N 1 2 195.266 1.606 20 0 ADADLO CCCCC(=O)NCc1c[nH+]c[nH]1 84081596 343630655 /nfs/dbraw/zinc/63/06/55/343630655.db2.gz PZSMLBCKYOMQCC-UHFFFAOYSA-N 1 2 181.239 1.216 20 0 ADADLO CCC(CC)C(=O)NCc1c[nH+]c[nH]1 84081786 343630662 /nfs/dbraw/zinc/63/06/62/343630662.db2.gz VBSDOTUNXXMGDS-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CCC(CC)C(=O)NCc1c[nH]c[nH+]1 84081786 343630664 /nfs/dbraw/zinc/63/06/64/343630664.db2.gz VBSDOTUNXXMGDS-UHFFFAOYSA-N 1 2 195.266 1.462 20 0 ADADLO CC[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 84081622 343630720 /nfs/dbraw/zinc/63/07/20/343630720.db2.gz XLWXGWYTHOXAKI-SSDOTTSWSA-N 1 2 181.239 1.072 20 0 ADADLO CC[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 84081622 343630721 /nfs/dbraw/zinc/63/07/21/343630721.db2.gz XLWXGWYTHOXAKI-SSDOTTSWSA-N 1 2 181.239 1.072 20 0 ADADLO OC1(C2CC2)CN(c2cccc[nH+]2)C1 84376560 343635298 /nfs/dbraw/zinc/63/52/98/343635298.db2.gz KADLQBSFPIGAPY-UHFFFAOYSA-N 1 2 190.246 1.043 20 0 ADADLO Cc1nc(N)cc(C2CCOCC2)[nH+]1 84453901 343637560 /nfs/dbraw/zinc/63/75/60/343637560.db2.gz NFECZAYGHFTWFU-UHFFFAOYSA-N 1 2 193.250 1.261 20 0 ADADLO C[C@H](CCO)CNc1cccc[nH+]1 85132430 343639471 /nfs/dbraw/zinc/63/94/71/343639471.db2.gz FIGVGXBSYHSZMR-SECBINFHSA-N 1 2 180.251 1.512 20 0 ADADLO Cc1nc(NC[C@@H](C)CCO)cc[nH+]1 85132401 343639603 /nfs/dbraw/zinc/63/96/03/343639603.db2.gz KJRCSRISNYIMPO-QMMMGPOBSA-N 1 2 195.266 1.215 20 0 ADADLO C[C@@H](CCO)CNc1cccc[nH+]1 85132428 343639633 /nfs/dbraw/zinc/63/96/33/343639633.db2.gz FIGVGXBSYHSZMR-VIFPVBQESA-N 1 2 180.251 1.512 20 0 ADADLO Cc1cc(NC[C@H](C)CCO)nc[nH+]1 85132629 343639965 /nfs/dbraw/zinc/63/99/65/343639965.db2.gz LRYFZCSKIFTMCB-MRVPVSSYSA-N 1 2 195.266 1.215 20 0 ADADLO Cc1cc(NC[C@@H](C)CCO)nc[nH+]1 85132627 343640061 /nfs/dbraw/zinc/64/00/61/343640061.db2.gz LRYFZCSKIFTMCB-QMMMGPOBSA-N 1 2 195.266 1.215 20 0 ADADLO Cn1cc[nH+]c1CSCCCO 85163030 343640849 /nfs/dbraw/zinc/64/08/49/343640849.db2.gz RIDAVKUEHCNBJC-UHFFFAOYSA-N 1 2 186.280 1.036 20 0 ADADLO Cn1c[nH+]cc1COc1ccccc1 85192021 343641153 /nfs/dbraw/zinc/64/11/53/343641153.db2.gz KYUQTKNOVQVJND-UHFFFAOYSA-N 1 2 188.230 1.999 20 0 ADADLO Nc1[nH+]cccc1CSCCCO 85164476 343641266 /nfs/dbraw/zinc/64/12/66/343641266.db2.gz RDTJYOFJMPWDGV-UHFFFAOYSA-N 1 2 198.291 1.279 20 0 ADADLO Cc1cc(C)n(Cc2c[nH+]cn2C)n1 85191992 343641295 /nfs/dbraw/zinc/64/12/95/343641295.db2.gz ASZHSBZDAZMDGD-UHFFFAOYSA-N 1 2 190.250 1.282 20 0 ADADLO Cc1[nH+]cccc1N[C@@H]1CCOC1 85711605 343646394 /nfs/dbraw/zinc/64/63/94/343646394.db2.gz LBPDLGJIZVHJQB-SECBINFHSA-N 1 2 178.235 1.591 20 0 ADADLO Cc1[nH+]cccc1NCc1cc[nH]n1 85711361 343646589 /nfs/dbraw/zinc/64/65/89/343646589.db2.gz IOWPKGAQNOEUQO-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO Cc1ncccc1NCc1[nH]cc[nH+]1 85711558 343646750 /nfs/dbraw/zinc/64/67/50/343646750.db2.gz FPSNCKURBOFGOU-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO CC(C)OC(=O)CCn1cc[nH+]c1 85734125 343647194 /nfs/dbraw/zinc/64/71/94/343647194.db2.gz KUZFMOHASKPVLH-UHFFFAOYSA-N 1 2 182.223 1.225 20 0 ADADLO Cc1[nH+]cccc1NC1CCOCC1 85712212 343647294 /nfs/dbraw/zinc/64/72/94/343647294.db2.gz DFNZGJMYIBQYLU-UHFFFAOYSA-N 1 2 192.262 1.981 20 0 ADADLO CN(CC(C)(C)O)c1cccc[nH+]1 86274213 343650914 /nfs/dbraw/zinc/65/09/14/343650914.db2.gz HFALVLTXUXAZKI-UHFFFAOYSA-N 1 2 180.251 1.289 20 0 ADADLO C[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)CS1 86935513 343657491 /nfs/dbraw/zinc/65/74/91/343657491.db2.gz VTEBLORNIKXRRO-IONNQARKSA-N 1 2 197.307 1.393 20 0 ADADLO C[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)CS1 86935510 343657513 /nfs/dbraw/zinc/65/75/13/343657513.db2.gz VTEBLORNIKXRRO-APPZFPTMSA-N 1 2 197.307 1.393 20 0 ADADLO C[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)CS1 86935511 343657538 /nfs/dbraw/zinc/65/75/38/343657538.db2.gz VTEBLORNIKXRRO-CBAPKCEASA-N 1 2 197.307 1.393 20 0 ADADLO Cc1ccc(NC(N)=O)c(C)[nH+]1 87151935 343657714 /nfs/dbraw/zinc/65/77/14/343657714.db2.gz LGAFJWARCSUXJS-UHFFFAOYSA-N 1 2 165.196 1.189 20 0 ADADLO Cc1ccc(N[C@@H]2CCOC2)c(C)[nH+]1 87151883 343657737 /nfs/dbraw/zinc/65/77/37/343657737.db2.gz ZFANLQZWMATPOK-SNVBAGLBSA-N 1 2 192.262 1.899 20 0 ADADLO Cc1ccc(N[C@H]2CCOC2)c(C)[nH+]1 87151885 343657986 /nfs/dbraw/zinc/65/79/86/343657986.db2.gz ZFANLQZWMATPOK-JTQLQIEISA-N 1 2 192.262 1.899 20 0 ADADLO COCC(=O)Nc1ccc(C)[nH+]c1C 87152533 343658192 /nfs/dbraw/zinc/65/81/92/343658192.db2.gz CMWSFQCXRBBPJU-UHFFFAOYSA-N 1 2 194.234 1.283 20 0 ADADLO CC(C)(C)OC(=O)CCn1cc[nH+]c1 87222898 343658566 /nfs/dbraw/zinc/65/85/66/343658566.db2.gz YZBJISUPUITGDZ-UHFFFAOYSA-N 1 2 196.250 1.615 20 0 ADADLO C[NH2+]Cc1noc(C2(C)CCCC2)n1 87318888 343659988 /nfs/dbraw/zinc/65/99/88/343659988.db2.gz RYJHWANDBLTPTG-UHFFFAOYSA-N 1 2 195.266 1.621 20 0 ADADLO O[C@H]1CCC[N@H+](Cc2nccs2)C1 87396275 343660594 /nfs/dbraw/zinc/66/05/94/343660594.db2.gz FXWVXFJGQBUXCY-QMMMGPOBSA-N 1 2 198.291 1.100 20 0 ADADLO O[C@H]1CCC[N@@H+](Cc2nccs2)C1 87396275 343660598 /nfs/dbraw/zinc/66/05/98/343660598.db2.gz FXWVXFJGQBUXCY-QMMMGPOBSA-N 1 2 198.291 1.100 20 0 ADADLO O[C@@H]1CCC[N@H+](Cc2nccs2)C1 87396276 343660635 /nfs/dbraw/zinc/66/06/35/343660635.db2.gz FXWVXFJGQBUXCY-MRVPVSSYSA-N 1 2 198.291 1.100 20 0 ADADLO O[C@@H]1CCC[N@@H+](Cc2nccs2)C1 87396276 343660638 /nfs/dbraw/zinc/66/06/38/343660638.db2.gz FXWVXFJGQBUXCY-MRVPVSSYSA-N 1 2 198.291 1.100 20 0 ADADLO COc1ncccc1Cn1cc[nH+]c1 87415453 343660664 /nfs/dbraw/zinc/66/06/64/343660664.db2.gz VIEJCNJXNSVBMW-UHFFFAOYSA-N 1 2 189.218 1.335 20 0 ADADLO Cc1csc(Cn2cc[nH+]c2)n1 87397322 343660792 /nfs/dbraw/zinc/66/07/92/343660792.db2.gz KTIRJZDCCXGDPV-UHFFFAOYSA-N 1 2 179.248 1.696 20 0 ADADLO CC1(O)CCN(c2cccc[nH+]2)CC1 87781054 343664412 /nfs/dbraw/zinc/66/44/12/343664412.db2.gz GBJJEZFPTNNEIJ-UHFFFAOYSA-N 1 2 192.262 1.433 20 0 ADADLO CCCCN(C)c1cc(NC)[nH+]cn1 87801026 343665002 /nfs/dbraw/zinc/66/50/02/343665002.db2.gz NCUZHYSTGWFABM-UHFFFAOYSA-N 1 2 194.282 1.755 20 0 ADADLO CCCCN(C)c1cc(NC)nc[nH+]1 87801026 343665003 /nfs/dbraw/zinc/66/50/03/343665003.db2.gz NCUZHYSTGWFABM-UHFFFAOYSA-N 1 2 194.282 1.755 20 0 ADADLO CNc1cc(N2CCCCC2)nc[nH+]1 87806203 343664827 /nfs/dbraw/zinc/66/48/27/343664827.db2.gz UXLCCCMDKREPIS-UHFFFAOYSA-N 1 2 192.266 1.509 20 0 ADADLO CNc1cc(N2CCCCC2)[nH+]cn1 87806203 343664829 /nfs/dbraw/zinc/66/48/29/343664829.db2.gz UXLCCCMDKREPIS-UHFFFAOYSA-N 1 2 192.266 1.509 20 0 ADADLO CNc1cc(NC2CC2)[nH+]cn1 87807060 343665059 /nfs/dbraw/zinc/66/50/59/343665059.db2.gz PGYMJTCNSUUOAS-UHFFFAOYSA-N 1 2 164.212 1.093 20 0 ADADLO CC[C@@H](C)Nc1cc(NC)nc[nH+]1 87806933 343665072 /nfs/dbraw/zinc/66/50/72/343665072.db2.gz MEFNKFXJXMIMJX-SSDOTTSWSA-N 1 2 180.255 1.729 20 0 ADADLO CCN(CC)c1cc(NC)[nH+]cn1 87805813 343665124 /nfs/dbraw/zinc/66/51/24/343665124.db2.gz IEOZSQISZODMMS-UHFFFAOYSA-N 1 2 180.255 1.365 20 0 ADADLO CCN(CC)c1cc(NC)nc[nH+]1 87805813 343665125 /nfs/dbraw/zinc/66/51/25/343665125.db2.gz IEOZSQISZODMMS-UHFFFAOYSA-N 1 2 180.255 1.365 20 0 ADADLO CC[C@H](C)Nc1cc(NC)nc[nH+]1 87806934 343665169 /nfs/dbraw/zinc/66/51/69/343665169.db2.gz MEFNKFXJXMIMJX-ZETCQYMHSA-N 1 2 180.255 1.729 20 0 ADADLO CCOCC(=O)Nc1cc[nH+]c(C)c1 88362492 343671376 /nfs/dbraw/zinc/67/13/76/343671376.db2.gz PPUKWISKWGPNGJ-UHFFFAOYSA-N 1 2 194.234 1.365 20 0 ADADLO C[C@@H](CO)CNc1cccc[nH+]1 88389788 343671691 /nfs/dbraw/zinc/67/16/91/343671691.db2.gz SIIQJPFGOIFEPF-MRVPVSSYSA-N 1 2 166.224 1.122 20 0 ADADLO C[C@H](CO)CNc1cccc[nH+]1 88389786 343671706 /nfs/dbraw/zinc/67/17/06/343671706.db2.gz SIIQJPFGOIFEPF-QMMMGPOBSA-N 1 2 166.224 1.122 20 0 ADADLO Cc1c[nH+]c2c(CO)cccn12 89202307 343672727 /nfs/dbraw/zinc/67/27/27/343672727.db2.gz GOLKMKPPODZOTL-UHFFFAOYSA-N 1 2 162.192 1.135 20 0 ADADLO Clc1cnc(-n2cc[nH+]c2)nc1 93536571 343678691 /nfs/dbraw/zinc/67/86/91/343678691.db2.gz XTQAGBJDVOWGOF-UHFFFAOYSA-N 1 2 180.598 1.316 20 0 ADADLO CC1(C)C[NH2+]c2ccc(N)cc21 95830803 343688753 /nfs/dbraw/zinc/68/87/53/343688753.db2.gz NLAMTLXEEAQDSL-UHFFFAOYSA-N 1 2 162.236 1.972 20 0 ADADLO Cc1ccc(NC2CCOCC2)c[nH+]1 96033338 343693739 /nfs/dbraw/zinc/69/37/39/343693739.db2.gz VKQJVMYYASLKCF-UHFFFAOYSA-N 1 2 192.262 1.981 20 0 ADADLO Cc1cc[nH+]cc1N[C@@H]1CCO[C@@H]1C 96034092 343694197 /nfs/dbraw/zinc/69/41/97/343694197.db2.gz LCCUMZKZDNAVDX-NXEZZACHSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1[nH+]cccc1N[C@@H]1CCO[C@@H]1C 96034100 343694235 /nfs/dbraw/zinc/69/42/35/343694235.db2.gz NXZNURCFPIAALZ-MWLCHTKSSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1[nH+]cccc1N[C@H]1CCO[C@@H]1C 96034101 343694255 /nfs/dbraw/zinc/69/42/55/343694255.db2.gz NXZNURCFPIAALZ-KOLCDFICSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1ccc(N[C@H]2CCO[C@@H]2C)c[nH+]1 96034117 343694270 /nfs/dbraw/zinc/69/42/70/343694270.db2.gz WBJJRYDGTFSHQE-KOLCDFICSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1cc[nH+]cc1N[C@H]1CCO[C@@H]1C 96034093 343694353 /nfs/dbraw/zinc/69/43/53/343694353.db2.gz LCCUMZKZDNAVDX-ZJUUUORDSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1ccc(N[C@@H]2CCO[C@@H]2C)c[nH+]1 96034116 343694440 /nfs/dbraw/zinc/69/44/40/343694440.db2.gz WBJJRYDGTFSHQE-MWLCHTKSSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1ccc(N[C@@H]2CCO[C@H]2C)c[nH+]1 96034118 343694461 /nfs/dbraw/zinc/69/44/61/343694461.db2.gz WBJJRYDGTFSHQE-GXSJLCMTSA-N 1 2 192.262 1.979 20 0 ADADLO CC(C)c1c[nH+]c(CO)n1C1CC1 96034376 343694472 /nfs/dbraw/zinc/69/44/72/343694472.db2.gz OEAXFNJPZDRLHM-UHFFFAOYSA-N 1 2 180.251 1.834 20 0 ADADLO Cc1[nH+]cccc1N[C@@H]1CCO[C@H]1C 96034102 343694497 /nfs/dbraw/zinc/69/44/97/343694497.db2.gz NXZNURCFPIAALZ-GXSJLCMTSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1ccc(N[C@H]2CCO[C@H]2C)c[nH+]1 96034119 343694534 /nfs/dbraw/zinc/69/45/34/343694534.db2.gz WBJJRYDGTFSHQE-ONGXEEELSA-N 1 2 192.262 1.979 20 0 ADADLO Cc1cc[nH+]cc1N[C@H]1CCO[C@H]1C 96034095 343694565 /nfs/dbraw/zinc/69/45/65/343694565.db2.gz LCCUMZKZDNAVDX-UWVGGRQHSA-N 1 2 192.262 1.979 20 0 ADADLO CC(C)Cc1[nH+]cccc1O 96610494 343700191 /nfs/dbraw/zinc/70/01/91/343700191.db2.gz VUPFPJVJEDZUQT-UHFFFAOYSA-N 1 2 151.209 1.986 20 0 ADADLO Cc1cc(NC(=O)NC2CC2)cc[nH+]1 96713126 343700282 /nfs/dbraw/zinc/70/02/82/343700282.db2.gz VLNXTGOYHXUWJM-UHFFFAOYSA-N 1 2 191.234 1.674 20 0 ADADLO CCc1cc(N[C@H](C)CCO)nc[nH+]1 96810461 343700700 /nfs/dbraw/zinc/70/07/00/343700700.db2.gz NXWKHWSFCGCXGA-MRVPVSSYSA-N 1 2 195.266 1.222 20 0 ADADLO CCc1cc(N[C@@H](C)CCO)nc[nH+]1 96810459 343700828 /nfs/dbraw/zinc/70/08/28/343700828.db2.gz NXWKHWSFCGCXGA-QMMMGPOBSA-N 1 2 195.266 1.222 20 0 ADADLO C[C@H](CCO)Nc1cccc[nH+]1 96867129 343701192 /nfs/dbraw/zinc/70/11/92/343701192.db2.gz RCIWILZYGVDJSJ-MRVPVSSYSA-N 1 2 166.224 1.264 20 0 ADADLO C[C@@H](CCO)Nc1cccc[nH+]1 96867128 343701514 /nfs/dbraw/zinc/70/15/14/343701514.db2.gz RCIWILZYGVDJSJ-QMMMGPOBSA-N 1 2 166.224 1.264 20 0 ADADLO Cc1cc(N)nc(SCCF)[nH+]1 96997337 343701824 /nfs/dbraw/zinc/70/18/24/343701824.db2.gz MYTZVZAFFGKIHG-UHFFFAOYSA-N 1 2 187.243 1.429 20 0 ADADLO Cc1cc(NCC(F)F)nc[nH+]1 98000870 343704671 /nfs/dbraw/zinc/70/46/71/343704671.db2.gz WYIGDIOZFSMJKY-UHFFFAOYSA-N 1 2 173.166 1.462 20 0 ADADLO CCc1cc(NCC(F)F)nc[nH+]1 98000858 343704824 /nfs/dbraw/zinc/70/48/24/343704824.db2.gz YKPZBIDQKWTLGN-UHFFFAOYSA-N 1 2 187.193 1.716 20 0 ADADLO Cc1nc(NCC(F)F)cc[nH+]1 98000850 343704976 /nfs/dbraw/zinc/70/49/76/343704976.db2.gz NPUWRQLAADPFOQ-UHFFFAOYSA-N 1 2 173.166 1.462 20 0 ADADLO Cc1cc2c(c[nH+]1)OCCO2 98179606 343706044 /nfs/dbraw/zinc/70/60/44/343706044.db2.gz SVXJJZDKSRCIFN-UHFFFAOYSA-N 1 2 151.165 1.161 20 0 ADADLO CC1=[NH+]CCc2ncccc21 98179780 343706649 /nfs/dbraw/zinc/70/66/49/343706649.db2.gz DGTAHOOKRGJODK-UHFFFAOYSA-N 1 2 146.193 1.447 20 0 ADADLO CN(c1cccc[nH+]1)C1CCOCC1 98181459 343706695 /nfs/dbraw/zinc/70/66/95/343706695.db2.gz XEYBYAJTSIERMY-UHFFFAOYSA-N 1 2 192.262 1.697 20 0 ADADLO Oc1ccc(Cc2c[nH]c[nH+]2)cc1 104397620 343731334 /nfs/dbraw/zinc/73/13/34/343731334.db2.gz SKMICQUSKSECQN-UHFFFAOYSA-N 1 2 174.203 1.706 20 0 in-vitro ADADLO Oc1ccc(Cc2c[nH+]c[nH]2)cc1 104397620 343731335 /nfs/dbraw/zinc/73/13/35/343731335.db2.gz SKMICQUSKSECQN-UHFFFAOYSA-N 1 2 174.203 1.706 20 0 in-vitro ADADLO Cc1cc(N)nc(SC(C)C)[nH+]1 106003969 343737628 /nfs/dbraw/zinc/73/76/28/343737628.db2.gz BFSQTPCUUPLZMB-UHFFFAOYSA-N 1 2 183.280 1.868 20 0 ADADLO Cn1ccc(C[NH2+]Cc2ccoc2)n1 112342330 343754586 /nfs/dbraw/zinc/75/45/86/343754586.db2.gz OJGLQSTXYWNFMY-UHFFFAOYSA-N 1 2 191.234 1.303 20 0 ADADLO Cc1nc(C[N@H+]2CCC[C@@H](C)C2)no1 112940256 343755936 /nfs/dbraw/zinc/75/59/36/343755936.db2.gz JPZPBALPEQUFCN-MRVPVSSYSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1nc(C[N@@H+]2CCC[C@@H](C)C2)no1 112940256 343755938 /nfs/dbraw/zinc/75/59/38/343755938.db2.gz JPZPBALPEQUFCN-MRVPVSSYSA-N 1 2 195.266 1.610 20 0 ADADLO CCCN(C)c1cccc[nH+]1 113827092 343760480 /nfs/dbraw/zinc/76/04/80/343760480.db2.gz MCSMSRIKCDAPSD-UHFFFAOYSA-N 1 2 150.225 1.928 20 0 ADADLO CC(C)[N@@H+]1CCC(F)(F)C1 113831198 343760547 /nfs/dbraw/zinc/76/05/47/343760547.db2.gz ZQRDSCDGUWRARB-UHFFFAOYSA-N 1 2 149.184 1.736 20 0 ADADLO CC(C)[N@H+]1CCC(F)(F)C1 113831198 343760550 /nfs/dbraw/zinc/76/05/50/343760550.db2.gz ZQRDSCDGUWRARB-UHFFFAOYSA-N 1 2 149.184 1.736 20 0 ADADLO Cc1ncc(C[NH+]2CCOCC2)s1 113902257 343760892 /nfs/dbraw/zinc/76/08/92/343760892.db2.gz LVKJXFHAFLLIET-UHFFFAOYSA-N 1 2 198.291 1.284 20 0 ADADLO CC(C)[NH2+][C@@H](C)C(=O)OC(C)C 114584718 343763636 /nfs/dbraw/zinc/76/36/36/343763636.db2.gz WZCQHHQGWIYBBU-QMMMGPOBSA-N 1 2 173.256 1.325 20 0 ADADLO C[NH2+]N1Cc2ccccc2C1 115058163 343765565 /nfs/dbraw/zinc/76/55/65/343765565.db2.gz JKNOWUBSMPUDEV-UHFFFAOYSA-N 1 2 148.209 1.137 20 0 ADADLO CC1CC[NH+](CC(F)F)CC1 115750813 343767806 /nfs/dbraw/zinc/76/78/06/343767806.db2.gz OWCWMQJOCMEVLE-UHFFFAOYSA-N 1 2 163.211 1.983 20 0 ADADLO C[C@@H]1COCCN1c1cccc[nH+]1 118101420 343774562 /nfs/dbraw/zinc/77/45/62/343774562.db2.gz KMRZIWZCUJQPRC-SECBINFHSA-N 1 2 178.235 1.307 20 0 ADADLO Cc1nc(NCC2(O)CCC2)cc[nH+]1 122025972 343777314 /nfs/dbraw/zinc/77/73/14/343777314.db2.gz ZGEKKVYGXLRBCS-UHFFFAOYSA-N 1 2 193.250 1.112 20 0 ADADLO COCC(C)(C)[NH2+]Cc1cn[nH]c1C 122245615 343778822 /nfs/dbraw/zinc/77/88/22/343778822.db2.gz OYHVIANLKLUZMV-UHFFFAOYSA-N 1 2 197.282 1.233 20 0 ADADLO C[N@H+](CCCCCO)CC(F)F 122539169 343780041 /nfs/dbraw/zinc/78/00/41/343780041.db2.gz VNXMRSSDVYOSDE-UHFFFAOYSA-N 1 2 181.226 1.346 20 0 ADADLO C[N@@H+](CCCCCO)CC(F)F 122539169 343780043 /nfs/dbraw/zinc/78/00/43/343780043.db2.gz VNXMRSSDVYOSDE-UHFFFAOYSA-N 1 2 181.226 1.346 20 0 ADADLO CC[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 123082868 343781615 /nfs/dbraw/zinc/78/16/15/343781615.db2.gz PJZWSJHHOUFJEI-QMMMGPOBSA-N 1 2 195.266 1.115 20 0 ADADLO CC(C)CC(=O)NCCc1[nH]cc[nH+]1 123078941 343781654 /nfs/dbraw/zinc/78/16/54/343781654.db2.gz CBLAUABCKWQSMM-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO CC[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 123082605 343781667 /nfs/dbraw/zinc/78/16/67/343781667.db2.gz PJZWSJHHOUFJEI-MRVPVSSYSA-N 1 2 195.266 1.115 20 0 ADADLO CC(C)(C)C(=O)NCCc1[nH]cc[nH+]1 123089072 343781913 /nfs/dbraw/zinc/78/19/13/343781913.db2.gz MGJZFSAUEHFXDK-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO CCCCC(=O)NCCc1[nH]cc[nH+]1 123085958 343781947 /nfs/dbraw/zinc/78/19/47/343781947.db2.gz FRKKJPSPHJQRPI-UHFFFAOYSA-N 1 2 195.266 1.259 20 0 ADADLO Cc1cc(NCC2(O)CCC2)nc[nH+]1 123353821 343782977 /nfs/dbraw/zinc/78/29/77/343782977.db2.gz WEXSJVFFCORHCH-UHFFFAOYSA-N 1 2 193.250 1.112 20 0 ADADLO Nc1[nH+]ccc2ccc(F)cc12 123722936 343784185 /nfs/dbraw/zinc/78/41/85/343784185.db2.gz YHVHLXHUVCPJBE-UHFFFAOYSA-N 1 2 162.167 1.956 20 0 ADADLO CSC[C@@H](C)Nc1cc(C)[nH+]cn1 124746401 343787864 /nfs/dbraw/zinc/78/78/64/343787864.db2.gz QSORQYAVEMLJGU-MRVPVSSYSA-N 1 2 197.307 1.948 20 0 ADADLO CSC[C@H](C)[NH2+]Cc1cn[nH]c1C 124995141 343788118 /nfs/dbraw/zinc/78/81/18/343788118.db2.gz BSTJZDKTKBDXSF-ZETCQYMHSA-N 1 2 199.323 1.559 20 0 ADADLO CSC[C@@H](C)[NH2+]Cc1cn[nH]c1C 124995319 343788182 /nfs/dbraw/zinc/78/81/82/343788182.db2.gz BSTJZDKTKBDXSF-SSDOTTSWSA-N 1 2 199.323 1.559 20 0 ADADLO CSC[C@@H](C)[NH2+]Cc1ccn[nH]1 124986246 343788389 /nfs/dbraw/zinc/78/83/89/343788389.db2.gz YVYUFSVBKUZGJN-SSDOTTSWSA-N 1 2 185.296 1.251 20 0 ADADLO CC(C)N(C)c1ccc([C@@H](C)O)c[nH+]1 124898893 343788417 /nfs/dbraw/zinc/78/84/17/343788417.db2.gz BXTPSMBSLVNTGP-SECBINFHSA-N 1 2 194.278 1.980 20 0 ADADLO CC(C)N(C)c1ccc([C@H](C)O)c[nH+]1 124899153 343788422 /nfs/dbraw/zinc/78/84/22/343788422.db2.gz BXTPSMBSLVNTGP-VIFPVBQESA-N 1 2 194.278 1.980 20 0 ADADLO Cc1c[nH+]cc(N[C@@H]2CCOC2)c1 125094548 343788835 /nfs/dbraw/zinc/78/88/35/343788835.db2.gz GRWKCQZQMPFQQR-SECBINFHSA-N 1 2 178.235 1.591 20 0 ADADLO Cc1c[nH+]cc(NC2CCOCC2)c1 125084805 343788959 /nfs/dbraw/zinc/78/89/59/343788959.db2.gz BQMIURVTDHOLMG-UHFFFAOYSA-N 1 2 192.262 1.981 20 0 ADADLO Cc1c[nH+]cc(NCc2cc[nH]n2)c1 125086855 343789085 /nfs/dbraw/zinc/78/90/85/343789085.db2.gz URINHBKRDPRQTR-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO Cc1cc(NCc2[nH]cc[nH+]2)nn1C 125425406 343790631 /nfs/dbraw/zinc/79/06/31/343790631.db2.gz SIGCCDMZFKKCPR-UHFFFAOYSA-N 1 2 191.238 1.064 20 0 ADADLO Cc1cc(NC[C@@H](O)C(C)C)nc[nH+]1 125658657 343791152 /nfs/dbraw/zinc/79/11/52/343791152.db2.gz GSEJNBPRIRQOMO-SECBINFHSA-N 1 2 195.266 1.214 20 0 ADADLO CC[C@H](CCO)Nc1cc(C)[nH+]cn1 125676710 343791246 /nfs/dbraw/zinc/79/12/46/343791246.db2.gz YWXADNPXDLJSMN-SECBINFHSA-N 1 2 195.266 1.358 20 0 ADADLO Cc1cc(NC[C@H](O)C(C)C)nc[nH+]1 125658401 343791321 /nfs/dbraw/zinc/79/13/21/343791321.db2.gz GSEJNBPRIRQOMO-VIFPVBQESA-N 1 2 195.266 1.214 20 0 ADADLO CC[C@@H](CCO)Nc1cccc[nH+]1 125672641 343791468 /nfs/dbraw/zinc/79/14/68/343791468.db2.gz LFXOYJAIRUHNBI-VIFPVBQESA-N 1 2 180.251 1.655 20 0 ADADLO CC[C@@H](CCO)Nc1cc(C)[nH+]cn1 125676505 343791532 /nfs/dbraw/zinc/79/15/32/343791532.db2.gz YWXADNPXDLJSMN-VIFPVBQESA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@H](CCO)Nc1cccc[nH+]1 125672857 343791558 /nfs/dbraw/zinc/79/15/58/343791558.db2.gz LFXOYJAIRUHNBI-SECBINFHSA-N 1 2 180.251 1.655 20 0 ADADLO Cc1ccoc1C[NH2+]Cc1cc[nH]n1 126787033 343797119 /nfs/dbraw/zinc/79/71/19/343797119.db2.gz PCTVHMXOYMHSCB-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO C[C@@H](C[C@@H](C)O)Nc1cccc[nH+]1 126926769 343800201 /nfs/dbraw/zinc/80/02/01/343800201.db2.gz SRVDUDJJRFTJTR-DTWKUNHWSA-N 1 2 180.251 1.653 20 0 ADADLO C[C@@H](O)C[C@@H](C)Nc1cccc[nH+]1 126926992 343800355 /nfs/dbraw/zinc/80/03/55/343800355.db2.gz SRVDUDJJRFTJTR-RKDXNWHRSA-N 1 2 180.251 1.653 20 0 ADADLO C[C@H](O)C[C@@H](C)Nc1cccc[nH+]1 126927425 343800382 /nfs/dbraw/zinc/80/03/82/343800382.db2.gz SRVDUDJJRFTJTR-BDAKNGLRSA-N 1 2 180.251 1.653 20 0 ADADLO C[C@H](O)C[C@H](C)Nc1cccc[nH+]1 126927202 343800426 /nfs/dbraw/zinc/80/04/26/343800426.db2.gz SRVDUDJJRFTJTR-IUCAKERBSA-N 1 2 180.251 1.653 20 0 ADADLO Cc1nc(NCc2ccoc2)cc[nH+]1 127171315 343805981 /nfs/dbraw/zinc/80/59/81/343805981.db2.gz BHLBOMHHXOLWCE-UHFFFAOYSA-N 1 2 189.218 1.990 20 0 ADADLO CSC[C@H](C)Nc1cc[nH+]c(C)n1 127202039 343806737 /nfs/dbraw/zinc/80/67/37/343806737.db2.gz PGLGXTXNPYYEKE-ZETCQYMHSA-N 1 2 197.307 1.948 20 0 ADADLO CSC[C@@H](C)Nc1cc[nH+]c(C)n1 127202264 343806941 /nfs/dbraw/zinc/80/69/41/343806941.db2.gz PGLGXTXNPYYEKE-SSDOTTSWSA-N 1 2 197.307 1.948 20 0 ADADLO CC[C@@H](CCO)Nc1cc[nH+]c(C)n1 127206650 343807393 /nfs/dbraw/zinc/80/73/93/343807393.db2.gz PQUISWIKZAPDLM-VIFPVBQESA-N 1 2 195.266 1.358 20 0 ADADLO COC(C)(C)CNc1cccc[nH+]1 127288439 343809007 /nfs/dbraw/zinc/80/90/07/343809007.db2.gz LXMVOAMRQNSCPE-UHFFFAOYSA-N 1 2 180.251 1.919 20 0 ADADLO C[C@@H](O)CCN(C)c1cccc[nH+]1 127282309 343809040 /nfs/dbraw/zinc/80/90/40/343809040.db2.gz MLTYVFGHASIDIS-SECBINFHSA-N 1 2 180.251 1.289 20 0 ADADLO C[C@H](O)CCN(C)c1cccc[nH+]1 127282078 343809245 /nfs/dbraw/zinc/80/92/45/343809245.db2.gz MLTYVFGHASIDIS-VIFPVBQESA-N 1 2 180.251 1.289 20 0 ADADLO CN(c1cc(CO)cc[nH+]1)C1CCC1 127689488 343817210 /nfs/dbraw/zinc/81/72/10/343817210.db2.gz CVARCFHQIKHXPO-UHFFFAOYSA-N 1 2 192.262 1.563 20 0 ADADLO CN(c1cc(N)nc[nH+]1)C1CCC1 128059638 343824243 /nfs/dbraw/zinc/82/42/43/343824243.db2.gz FVXMDHGCFBRJID-UHFFFAOYSA-N 1 2 178.239 1.048 20 0 ADADLO CSCCCn1cc[nH+]c1 128534324 343833495 /nfs/dbraw/zinc/83/34/95/343833495.db2.gz IWPMHTPSCKZDGY-UHFFFAOYSA-N 1 2 156.254 1.636 20 0 ADADLO C[C@H](Nc1cccc[nH+]1)[C@H]1CCOC1 128640044 343835395 /nfs/dbraw/zinc/83/53/95/343835395.db2.gz RCCBBSOJENVOFI-UWVGGRQHSA-N 1 2 192.262 1.919 20 0 ADADLO C[C@H](Nc1cccc[nH+]1)[C@@H]1CCOC1 128639573 343835681 /nfs/dbraw/zinc/83/56/81/343835681.db2.gz RCCBBSOJENVOFI-VHSXEESVSA-N 1 2 192.262 1.919 20 0 ADADLO Cc1nc(NC2CC(C)C2)cc[nH+]1 128900455 343839948 /nfs/dbraw/zinc/83/99/48/343839948.db2.gz GMUSZGJDCHJNBX-UHFFFAOYSA-N 1 2 177.251 1.995 20 0 ADADLO Cc1cc(NC2CC(C)C2)nc[nH+]1 128902375 343840221 /nfs/dbraw/zinc/84/02/21/343840221.db2.gz BKQPTAPLZPDPMK-UHFFFAOYSA-N 1 2 177.251 1.995 20 0 ADADLO CC1(C)[C@@H](Nc2cccc[nH+]2)C[C@H]1O 129672931 343854820 /nfs/dbraw/zinc/85/48/20/343854820.db2.gz ULNWCQVZWIAVJU-DTWKUNHWSA-N 1 2 192.262 1.653 20 0 ADADLO CC1(C)[C@@H](O)C[C@H]1Nc1cccc[nH+]1 129672298 343854824 /nfs/dbraw/zinc/85/48/24/343854824.db2.gz ULNWCQVZWIAVJU-BDAKNGLRSA-N 1 2 192.262 1.653 20 0 ADADLO CNC(=S)Nc1ccc(C)[nH+]c1C 130103243 343862333 /nfs/dbraw/zinc/86/23/33/343862333.db2.gz KBXPBZFSSSQHRG-UHFFFAOYSA-N 1 2 195.291 1.615 20 0 ADADLO CCNC(=O)Nc1ccc(C)[nH+]c1C 130113849 343862752 /nfs/dbraw/zinc/86/27/52/343862752.db2.gz VHUGALUGPIYLFV-UHFFFAOYSA-N 1 2 193.250 1.840 20 0 ADADLO Cc1nc(NC2CC=CC2)cc[nH+]1 131096210 343879905 /nfs/dbraw/zinc/87/99/05/343879905.db2.gz YWYJANKKYLSFIJ-UHFFFAOYSA-N 1 2 175.235 1.916 20 0 ADADLO C[C@H](C[S@@](C)=O)Nc1cccc[nH+]1 131271198 343883433 /nfs/dbraw/zinc/88/34/33/343883433.db2.gz NNMZQHPCDIZPAV-OQPBUACISA-N 1 2 198.291 1.261 20 0 ADADLO C[C@@H](C[S@@](C)=O)Nc1cccc[nH+]1 131270971 343883472 /nfs/dbraw/zinc/88/34/72/343883472.db2.gz NNMZQHPCDIZPAV-SDBXPKJASA-N 1 2 198.291 1.261 20 0 ADADLO Cc1c(NCc2[nH]cc[nH+]2)cnn1C 132031286 343892740 /nfs/dbraw/zinc/89/27/40/343892740.db2.gz AIAOLMFSJVLDCH-UHFFFAOYSA-N 1 2 191.238 1.064 20 0 ADADLO COC(C)(C)CNc1cc(C)[nH+]cn1 133036167 343910521 /nfs/dbraw/zinc/91/05/21/343910521.db2.gz RYFXBKDLFUZECI-UHFFFAOYSA-N 1 2 195.266 1.622 20 0 ADADLO COC(C)(C)C[NH2+]Cc1cn[nH]c1C 133026692 343910595 /nfs/dbraw/zinc/91/05/95/343910595.db2.gz OVZKFTQWUZHQAV-UHFFFAOYSA-N 1 2 197.282 1.233 20 0 ADADLO COC(C)(C)CNc1cc[nH+]c(C)n1 133041797 343910887 /nfs/dbraw/zinc/91/08/87/343910887.db2.gz PLDOEFGBRDHNDR-UHFFFAOYSA-N 1 2 195.266 1.622 20 0 ADADLO C[C@@H]1OCC[C@@H]1[NH2+]CC(F)F 133240419 343913625 /nfs/dbraw/zinc/91/36/25/343913625.db2.gz OIGYGOBJDHQCSB-WDSKDSINSA-N 1 2 165.183 1.019 20 0 ADADLO C[C@H]1OCC[C@H]1[NH2+]CC(F)F 133239769 343913658 /nfs/dbraw/zinc/91/36/58/343913658.db2.gz OIGYGOBJDHQCSB-PHDIDXHHSA-N 1 2 165.183 1.019 20 0 ADADLO C[C@@H]1OCC[C@H]1[NH2+]CC(F)F 133240005 343913868 /nfs/dbraw/zinc/91/38/68/343913868.db2.gz OIGYGOBJDHQCSB-NTSWFWBYSA-N 1 2 165.183 1.019 20 0 ADADLO Cc1cc(NCC(C)(C)CO)nc[nH+]1 133503719 343920430 /nfs/dbraw/zinc/92/04/30/343920430.db2.gz WWFKLWBWEQLMPX-UHFFFAOYSA-N 1 2 195.266 1.215 20 0 ADADLO Cc1nc(NCC(C)(C)CO)cc[nH+]1 133507080 343920859 /nfs/dbraw/zinc/92/08/59/343920859.db2.gz UWGDCKUOQRALMU-UHFFFAOYSA-N 1 2 195.266 1.215 20 0 ADADLO CO[C@@H](C)[C@@H](C)Nc1cccc[nH+]1 134148788 343934908 /nfs/dbraw/zinc/93/49/08/343934908.db2.gz KLNRCMGSDANKBG-BDAKNGLRSA-N 1 2 180.251 1.917 20 0 ADADLO CO[C@H](C)[C@@H](C)Nc1cccc[nH+]1 134148361 343935249 /nfs/dbraw/zinc/93/52/49/343935249.db2.gz KLNRCMGSDANKBG-RKDXNWHRSA-N 1 2 180.251 1.917 20 0 ADADLO Cc1[nH]ncc1[C@H](C)[NH2+]C1CC1 134540597 343944815 /nfs/dbraw/zinc/94/48/15/343944815.db2.gz XBBVJBCURAQHCW-LURJTMIESA-N 1 2 165.240 1.531 20 0 ADADLO CCC[C@H](O)CNc1cc(C)[nH+]cn1 134547487 343944820 /nfs/dbraw/zinc/94/48/20/343944820.db2.gz PZAXRGDEARJOHC-VIFPVBQESA-N 1 2 195.266 1.358 20 0 ADADLO CCC[C@@H](O)CNc1cc(C)[nH+]cn1 134547511 343944876 /nfs/dbraw/zinc/94/48/76/343944876.db2.gz PZAXRGDEARJOHC-SECBINFHSA-N 1 2 195.266 1.358 20 0 ADADLO CSCC[NH2+][C@@H](C)c1cn[nH]c1C 134544069 343944984 /nfs/dbraw/zinc/94/49/84/343944984.db2.gz USKXRWGJLLEBMB-ZETCQYMHSA-N 1 2 199.323 1.732 20 0 ADADLO COCC(C)(C)[NH2+]CC(F)F 135061686 343953799 /nfs/dbraw/zinc/95/37/99/343953799.db2.gz KNOJLJGZIFMCPG-UHFFFAOYSA-N 1 2 167.199 1.266 20 0 ADADLO OCCn1c[nH+]c2cc(F)c(F)cc21 136001475 343973176 /nfs/dbraw/zinc/97/31/76/343973176.db2.gz ITWBVKZMZNWPMJ-UHFFFAOYSA-N 1 2 198.172 1.307 20 0 ADADLO Cc1c[nH+]c(CCO)c(C)c1 136672249 343982103 /nfs/dbraw/zinc/98/21/03/343982103.db2.gz JJWHNEPBZFMEJS-UHFFFAOYSA-N 1 2 151.209 1.233 20 0 ADADLO C[C@@H](c1ccccn1)[NH+]1CCOCC1 137054797 343983747 /nfs/dbraw/zinc/98/37/47/343983747.db2.gz AYXBOMPKGMGXIT-JTQLQIEISA-N 1 2 192.262 1.475 20 0 ADADLO COCCCCn1cc[nH+]c1 139220091 343993729 /nfs/dbraw/zinc/99/37/29/343993729.db2.gz RYVHFLUDHXLODT-UHFFFAOYSA-N 1 2 154.213 1.310 20 0 ADADLO [NH3+][C@]1(c2ccccc2)CCC[NH2+]C1 139934889 343996706 /nfs/dbraw/zinc/99/67/06/343996706.db2.gz LYSFIDBNYMKEQT-LLVKDONJSA-N 1 2 176.263 1.224 20 0 ADADLO [NH3+][C@@]1(c2ccccc2)CCC[NH2+]C1 139935026 343996938 /nfs/dbraw/zinc/99/69/38/343996938.db2.gz LYSFIDBNYMKEQT-NSHDSACASA-N 1 2 176.263 1.224 20 0 ADADLO COCCCCCn1cc[nH+]c1 140290056 343999400 /nfs/dbraw/zinc/99/94/00/343999400.db2.gz MOKXICUDLIGRAE-UHFFFAOYSA-N 1 2 168.240 1.700 20 0 ADADLO C[C@H](c1ccncc1)[NH+]1CCOCC1 142631397 344013263 /nfs/dbraw/zinc/01/32/63/344013263.db2.gz CKNKRGJXQSVKCH-SNVBAGLBSA-N 1 2 192.262 1.475 20 0 ADADLO CCC[NH+]1CCN(C2CCCC2)CC1 143302457 344018527 /nfs/dbraw/zinc/01/85/27/344018527.db2.gz LIESHPMJEOGGAU-UHFFFAOYSA-N 1 2 196.338 1.957 20 0 ADADLO Cc1cc(C[NH+]2CCCCC2)n[nH]1 144376752 344026523 /nfs/dbraw/zinc/02/65/23/344026523.db2.gz NXKBPQGWZGTMQJ-UHFFFAOYSA-N 1 2 179.267 1.704 20 0 ADADLO Cc1occc1C[NH+]1CCOCC1 145900259 344036434 /nfs/dbraw/zinc/03/64/34/344036434.db2.gz KARDVKMPTFNEOQ-UHFFFAOYSA-N 1 2 181.235 1.420 20 0 ADADLO C[C@@H]1C[N@H+](CCC(F)(F)F)CCO1 145954698 344037416 /nfs/dbraw/zinc/03/74/16/344037416.db2.gz CGPPYRKZFUCZNY-SSDOTTSWSA-N 1 2 197.200 1.660 20 0 ADADLO C[C@@H]1C[N@@H+](CCC(F)(F)F)CCO1 145954698 344037417 /nfs/dbraw/zinc/03/74/17/344037417.db2.gz CGPPYRKZFUCZNY-SSDOTTSWSA-N 1 2 197.200 1.660 20 0 ADADLO CCc1[nH+]c(C)ccc1OC 146262730 344040163 /nfs/dbraw/zinc/04/01/63/344040163.db2.gz MPZYSQUUEGGTCT-UHFFFAOYSA-N 1 2 151.209 1.961 20 0 ADADLO CC1(C)C[N@H+](Cc2cc[nH]n2)CCO1 146666001 344042051 /nfs/dbraw/zinc/04/20/51/344042051.db2.gz WJPCLWXRZKISJT-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)CCO1 146666001 344042055 /nfs/dbraw/zinc/04/20/55/344042055.db2.gz WJPCLWXRZKISJT-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO Cc1nc(N2CCCCC2)cc[nH+]1 147553355 344044072 /nfs/dbraw/zinc/04/40/72/344044072.db2.gz WGKFBVHPWLNHQC-UHFFFAOYSA-N 1 2 177.251 1.775 20 0 ADADLO Cc1cncc(C[NH+]2CCOCC2)c1 147714876 344044739 /nfs/dbraw/zinc/04/47/39/344044739.db2.gz DWMDAMALRVTLLV-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO CCc1cc(N)nc(SC)[nH+]1 147700274 344045138 /nfs/dbraw/zinc/04/51/38/344045138.db2.gz SSJHXLOGFDJSTE-UHFFFAOYSA-N 1 2 169.253 1.343 20 0 ADADLO CC(=O)c1ccc(-n2cc[nH+]c2)cn1 148001801 344045785 /nfs/dbraw/zinc/04/57/85/344045785.db2.gz HSLGMPOUUXLVAL-UHFFFAOYSA-N 1 2 187.202 1.470 20 0 ADADLO CCC[N@@H+]1CCC(F)(F)C1 148176169 344049461 /nfs/dbraw/zinc/04/94/61/344049461.db2.gz SRSVVHCIEQFPOD-UHFFFAOYSA-N 1 2 149.184 1.737 20 0 ADADLO CCC[N@H+]1CCC(F)(F)C1 148176169 344049462 /nfs/dbraw/zinc/04/94/62/344049462.db2.gz SRSVVHCIEQFPOD-UHFFFAOYSA-N 1 2 149.184 1.737 20 0 ADADLO CC(C)(C)OCCn1cc[nH+]c1 148218971 344051207 /nfs/dbraw/zinc/05/12/07/344051207.db2.gz FJMGLWXYSSBCCL-UHFFFAOYSA-N 1 2 168.240 1.698 20 0 ADADLO CC(C)C(=O)N(C)Cc1c[nH+]c[nH]1 148630912 344057039 /nfs/dbraw/zinc/05/70/39/344057039.db2.gz AERAQTLIUJCZMO-UHFFFAOYSA-N 1 2 181.239 1.024 20 0 ADADLO CC(C)C(=O)N(C)Cc1c[nH]c[nH+]1 148630912 344057041 /nfs/dbraw/zinc/05/70/41/344057041.db2.gz AERAQTLIUJCZMO-UHFFFAOYSA-N 1 2 181.239 1.024 20 0 ADADLO Cc1nc(N2CCCC2)cc[nH+]1 148682067 344057800 /nfs/dbraw/zinc/05/78/00/344057800.db2.gz UFNSZYDHSZRWLZ-UHFFFAOYSA-N 1 2 163.224 1.385 20 0 ADADLO F[C@H]1CN(c2cccc[nH+]2)C[C@H]1F 148776955 344058321 /nfs/dbraw/zinc/05/83/21/344058321.db2.gz DXTJGWVBLQSSMK-OCAPTIKFSA-N 1 2 184.189 1.578 20 0 ADADLO Cc1ccc(NCc2cc[nH]n2)c[nH+]1 149812601 344071741 /nfs/dbraw/zinc/07/17/41/344071741.db2.gz ORJJLYHQNSJLEF-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO Cc1ccc(N[C@@H]2CCOC2)c[nH+]1 149819631 344072252 /nfs/dbraw/zinc/07/22/52/344072252.db2.gz XCNCJKLNIHOCFY-SNVBAGLBSA-N 1 2 178.235 1.591 20 0 ADADLO Cc1ccc(N[C@H]2CCOC2)c[nH+]1 149819860 344072307 /nfs/dbraw/zinc/07/23/07/344072307.db2.gz XCNCJKLNIHOCFY-JTQLQIEISA-N 1 2 178.235 1.591 20 0 ADADLO C[C@@H]1CC[N@H+](CC(F)F)C1 149963989 344074367 /nfs/dbraw/zinc/07/43/67/344074367.db2.gz QJUDTYJRZHLPFH-ZCFIWIBFSA-N 1 2 149.184 1.593 20 0 ADADLO C[C@@H]1CC[N@@H+](CC(F)F)C1 149963989 344074369 /nfs/dbraw/zinc/07/43/69/344074369.db2.gz QJUDTYJRZHLPFH-ZCFIWIBFSA-N 1 2 149.184 1.593 20 0 ADADLO CCNc1n[nH+]cc(Cl)c1N 150054471 344076148 /nfs/dbraw/zinc/07/61/48/344076148.db2.gz YCKYFDSKHUYUJC-UHFFFAOYSA-N 1 2 172.619 1.144 20 0 ADADLO C[C@H]1CCC[N@H+](CC(F)F)C1 150092786 344076802 /nfs/dbraw/zinc/07/68/02/344076802.db2.gz AEICGJGPQRCEBO-ZETCQYMHSA-N 1 2 163.211 1.983 20 0 ADADLO C[C@H]1CCC[N@@H+](CC(F)F)C1 150092786 344076805 /nfs/dbraw/zinc/07/68/05/344076805.db2.gz AEICGJGPQRCEBO-ZETCQYMHSA-N 1 2 163.211 1.983 20 0 ADADLO Cc1cc(NC2(CO)CCC2)nc[nH+]1 157439797 344107215 /nfs/dbraw/zinc/10/72/15/344107215.db2.gz AJGVNYGIEDZLFM-UHFFFAOYSA-N 1 2 193.250 1.112 20 0 ADADLO Cc1nc(NC2(CO)CCC2)cc[nH+]1 157439479 344107268 /nfs/dbraw/zinc/10/72/68/344107268.db2.gz RHOAGWOSROFMKO-UHFFFAOYSA-N 1 2 193.250 1.112 20 0 ADADLO CS[C@@H](C)CNc1cc(C)[nH+]cn1 159238672 344141142 /nfs/dbraw/zinc/14/11/42/344141142.db2.gz DLOATWORVYVZDT-QMMMGPOBSA-N 1 2 197.307 1.948 20 0 ADADLO CS[C@H](C)CNc1cc[nH+]c(C)n1 159245172 344141322 /nfs/dbraw/zinc/14/13/22/344141322.db2.gz HJRDPWIIVFNWTN-SSDOTTSWSA-N 1 2 197.307 1.948 20 0 ADADLO CS[C@@H](C)CNc1cc[nH+]c(C)n1 159245360 344141363 /nfs/dbraw/zinc/14/13/63/344141363.db2.gz HJRDPWIIVFNWTN-ZETCQYMHSA-N 1 2 197.307 1.948 20 0 ADADLO CS[C@H](C)CNc1cc(C)[nH+]cn1 159238515 344141454 /nfs/dbraw/zinc/14/14/54/344141454.db2.gz DLOATWORVYVZDT-MRVPVSSYSA-N 1 2 197.307 1.948 20 0 ADADLO CS[C@@H](C)C[NH2+]Cc1ccn[nH]1 159297892 344141805 /nfs/dbraw/zinc/14/18/05/344141805.db2.gz WOUQGMHMTMVASV-ZETCQYMHSA-N 1 2 185.296 1.251 20 0 ADADLO CS[C@H](C)C[NH2+]Cc1ccn[nH]1 159298001 344142049 /nfs/dbraw/zinc/14/20/49/344142049.db2.gz WOUQGMHMTMVASV-SSDOTTSWSA-N 1 2 185.296 1.251 20 0 ADADLO C[C@H](O)[C@@H]1CCN(c2cccc[nH+]2)C1 159433946 344145209 /nfs/dbraw/zinc/14/52/09/344145209.db2.gz OEFTXCUBRLVNQO-VHSXEESVSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@@H](O)[C@H]1CCN(c2cccc[nH+]2)C1 159434324 344145235 /nfs/dbraw/zinc/14/52/35/344145235.db2.gz OEFTXCUBRLVNQO-ZJUUUORDSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@@H](O)[C@@H]1CCN(c2cccc[nH+]2)C1 159434076 344145322 /nfs/dbraw/zinc/14/53/22/344145322.db2.gz OEFTXCUBRLVNQO-NXEZZACHSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@H](O)[C@H]1CCN(c2cccc[nH+]2)C1 159434204 344145363 /nfs/dbraw/zinc/14/53/63/344145363.db2.gz OEFTXCUBRLVNQO-UWVGGRQHSA-N 1 2 192.262 1.289 20 0 ADADLO C[N@H+](CC(F)F)[C@@H]1CCCC[C@@H]1O 160383087 344164067 /nfs/dbraw/zinc/16/40/67/344164067.db2.gz MKKSYZIFGPMKSZ-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO C[N@@H+](CC(F)F)[C@@H]1CCCC[C@@H]1O 160383087 344164068 /nfs/dbraw/zinc/16/40/68/344164068.db2.gz MKKSYZIFGPMKSZ-SFYZADRCSA-N 1 2 193.237 1.487 20 0 ADADLO C[N@H+](CC(F)F)[C@H]1CCCC[C@@H]1O 160383228 344164456 /nfs/dbraw/zinc/16/44/56/344164456.db2.gz MKKSYZIFGPMKSZ-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO C[N@@H+](CC(F)F)[C@H]1CCCC[C@@H]1O 160383228 344164459 /nfs/dbraw/zinc/16/44/59/344164459.db2.gz MKKSYZIFGPMKSZ-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO CO[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 160537803 344168878 /nfs/dbraw/zinc/16/88/78/344168878.db2.gz UGPVJMIUCOTIJP-MRVPVSSYSA-N 1 2 194.234 1.363 20 0 ADADLO CO[C@@H](C)C(=O)Nc1cc[nH+]cc1C 160612695 344171502 /nfs/dbraw/zinc/17/15/02/344171502.db2.gz SYOLRIJDGVUOFA-QMMMGPOBSA-N 1 2 194.234 1.363 20 0 ADADLO CCC[C@H](O)CNc1cc[nH+]c(C)n1 161912779 344200523 /nfs/dbraw/zinc/20/05/23/344200523.db2.gz MGOLADGLKWYOJL-VIFPVBQESA-N 1 2 195.266 1.358 20 0 ADADLO CC[C@H](CSC)[NH2+]Cc1ccn[nH]1 162189912 344204813 /nfs/dbraw/zinc/20/48/13/344204813.db2.gz SOUOQPCANYXZPR-MRVPVSSYSA-N 1 2 199.323 1.641 20 0 ADADLO CC[C@@H](CSC)[NH2+]Cc1ccn[nH]1 162189777 344204850 /nfs/dbraw/zinc/20/48/50/344204850.db2.gz SOUOQPCANYXZPR-QMMMGPOBSA-N 1 2 199.323 1.641 20 0 ADADLO Cc1cccnc1Cn1cc[nH+]c1 162726537 344212649 /nfs/dbraw/zinc/21/26/49/344212649.db2.gz NIGIIJJCXOWKRU-UHFFFAOYSA-N 1 2 173.219 1.635 20 0 ADADLO C[C@H](CO)SCc1ccc[nH+]c1N 162787569 344213905 /nfs/dbraw/zinc/21/39/05/344213905.db2.gz QCJZAWVCGCTYDQ-SSDOTTSWSA-N 1 2 198.291 1.278 20 0 ADADLO C[C@@H](CO)SCc1ccc[nH+]c1N 162787434 344213922 /nfs/dbraw/zinc/21/39/22/344213922.db2.gz QCJZAWVCGCTYDQ-ZETCQYMHSA-N 1 2 198.291 1.278 20 0 ADADLO CCC[C@](C)(O)C[NH2+]Cc1ccn[nH]1 163989926 344234194 /nfs/dbraw/zinc/23/41/94/344234194.db2.gz KBNLSMYQIPGPMN-JTQLQIEISA-N 1 2 197.282 1.050 20 0 ADADLO CCC[C@@](C)(O)C[NH2+]Cc1ccn[nH]1 163990021 344234202 /nfs/dbraw/zinc/23/42/02/344234202.db2.gz KBNLSMYQIPGPMN-SNVBAGLBSA-N 1 2 197.282 1.050 20 0 ADADLO COc1c(C)cc[nH+]c1C 164456506 344245065 /nfs/dbraw/zinc/24/50/65/344245065.db2.gz ZXCIFIJEYYICFN-UHFFFAOYSA-N 1 2 137.182 1.707 20 0 ADADLO Cc1nc(N[C@@H](C)C[C@@H](C)O)cc[nH+]1 164921672 344254628 /nfs/dbraw/zinc/25/46/28/344254628.db2.gz WURJLEHYFFUWQD-JGVFFNPUSA-N 1 2 195.266 1.356 20 0 ADADLO Cc1nc(N[C@@H](C)C[C@H](C)O)cc[nH+]1 164921913 344254710 /nfs/dbraw/zinc/25/47/10/344254710.db2.gz WURJLEHYFFUWQD-YUMQZZPRSA-N 1 2 195.266 1.356 20 0 ADADLO Cc1nc(N[C@H](C)C[C@H](C)O)cc[nH+]1 164922027 344254724 /nfs/dbraw/zinc/25/47/24/344254724.db2.gz WURJLEHYFFUWQD-SFYZADRCSA-N 1 2 195.266 1.356 20 0 ADADLO CC(C)CNc1ccc(CO)c[nH+]1 166286307 344278453 /nfs/dbraw/zinc/27/84/53/344278453.db2.gz FPMGRMQOEGANSI-UHFFFAOYSA-N 1 2 180.251 1.642 20 0 ADADLO CC1(C)CC[C@H](Cn2cc[nH+]c2)O1 166364495 344280089 /nfs/dbraw/zinc/28/00/89/344280089.db2.gz VUARHUUNZYWPMC-SECBINFHSA-N 1 2 180.251 1.841 20 0 ADADLO CC1(C)CC[C@@H](Cn2cc[nH+]c2)O1 166364585 344280161 /nfs/dbraw/zinc/28/01/61/344280161.db2.gz VUARHUUNZYWPMC-VIFPVBQESA-N 1 2 180.251 1.841 20 0 ADADLO CC[C@H]1CCN(c2cc(N)nc[nH+]2)C1 166850004 344290694 /nfs/dbraw/zinc/29/06/94/344290694.db2.gz WXSDCLUGYQDTCE-QMMMGPOBSA-N 1 2 192.266 1.295 20 0 ADADLO CC[C@@H]1CCN(c2cc(N)nc[nH+]2)C1 166849889 344290952 /nfs/dbraw/zinc/29/09/52/344290952.db2.gz WXSDCLUGYQDTCE-MRVPVSSYSA-N 1 2 192.266 1.295 20 0 ADADLO Clc1ccc(Cn2cc[nH+]c2)nn1 167416530 344304961 /nfs/dbraw/zinc/30/49/61/344304961.db2.gz GAXOFHDBSFIWAF-UHFFFAOYSA-N 1 2 194.625 1.375 20 0 ADADLO c1cc(C[NH+]2CCSCC2)no1 198818573 344360615 /nfs/dbraw/zinc/36/06/15/344360615.db2.gz POWSQKFTYVREPJ-UHFFFAOYSA-N 1 2 184.264 1.223 20 0 ADADLO CC1CC[NH+](Cc2csnn2)CC1 201076897 344364400 /nfs/dbraw/zinc/36/44/00/344364400.db2.gz JKYFYOSNZWTYGK-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC1CCC(O)(Cn2cc[nH+]c2)CC1 201207879 344364758 /nfs/dbraw/zinc/36/47/58/344364758.db2.gz USESGUFSBVJGSR-UHFFFAOYSA-N 1 2 194.278 1.824 20 0 ADADLO Cc1ncccc1C[NH+]1CCOCC1 203991496 344368672 /nfs/dbraw/zinc/36/86/72/344368672.db2.gz QWAHSLUATVHCDZ-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO c1cc(OCC2CCOCC2)cc[nH+]1 204332062 344369327 /nfs/dbraw/zinc/36/93/27/344369327.db2.gz XYJHRAOZIYXIQA-UHFFFAOYSA-N 1 2 193.246 1.887 20 0 ADADLO CCCCc1cc(N)nc[nH+]1 205771443 344374497 /nfs/dbraw/zinc/37/44/97/344374497.db2.gz ZDLPMCMKNKYERT-UHFFFAOYSA-N 1 2 151.213 1.401 20 0 ADADLO CC(C)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 205888269 344374585 /nfs/dbraw/zinc/37/45/85/344374585.db2.gz LZAGRXUATNDBCU-SSDOTTSWSA-N 1 2 197.200 1.658 20 0 ADADLO CC(C)[N@H+]1CCO[C@@H](C(F)(F)F)C1 205888269 344374588 /nfs/dbraw/zinc/37/45/88/344374588.db2.gz LZAGRXUATNDBCU-SSDOTTSWSA-N 1 2 197.200 1.658 20 0 ADADLO CC(C)[N@@H+]1CCO[C@H](C(F)(F)F)C1 205888251 344374621 /nfs/dbraw/zinc/37/46/21/344374621.db2.gz LZAGRXUATNDBCU-ZETCQYMHSA-N 1 2 197.200 1.658 20 0 ADADLO CC(C)[N@H+]1CCO[C@H](C(F)(F)F)C1 205888251 344374624 /nfs/dbraw/zinc/37/46/24/344374624.db2.gz LZAGRXUATNDBCU-ZETCQYMHSA-N 1 2 197.200 1.658 20 0 ADADLO Cc1nc(C[N@H+]2CCC[C@H](C)C2)no1 205778359 344374831 /nfs/dbraw/zinc/37/48/31/344374831.db2.gz JPZPBALPEQUFCN-QMMMGPOBSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1nc(C[N@@H+]2CCC[C@H](C)C2)no1 205778359 344374832 /nfs/dbraw/zinc/37/48/32/344374832.db2.gz JPZPBALPEQUFCN-QMMMGPOBSA-N 1 2 195.266 1.610 20 0 ADADLO COc1cccc(-c2[nH]cc(N)[nH+]2)c1 211286599 344377668 /nfs/dbraw/zinc/37/76/68/344377668.db2.gz YEQSQUOLYBTINY-UHFFFAOYSA-N 1 2 189.218 1.668 20 0 ADADLO Cc1[nH+]c2n(c1CO)CCCC2 212257289 344380037 /nfs/dbraw/zinc/38/00/37/344380037.db2.gz FPEPAUCKMHYOJE-UHFFFAOYSA-N 1 2 166.224 1.020 20 0 ADADLO CCc1[nH+]c2n(c1CO)CCCC2 214243678 344382383 /nfs/dbraw/zinc/38/23/83/344382383.db2.gz FNLVYRUVSJXERZ-UHFFFAOYSA-N 1 2 180.251 1.274 20 0 ADADLO CCOC(=O)C[NH+](C1CC1)C1CC1 215581968 344390198 /nfs/dbraw/zinc/39/01/98/344390198.db2.gz KZMUUOIAXLLVST-UHFFFAOYSA-N 1 2 183.251 1.176 20 0 ADADLO c1cc(OCC2CC2)cc[nH+]1 219395452 344423509 /nfs/dbraw/zinc/42/35/09/344423509.db2.gz ZQKACXHRFSNGEV-UHFFFAOYSA-N 1 2 149.193 1.870 20 0 ADADLO C[C@H]1SCC[C@H]1[NH2+]Cc1ccn[nH]1 220558709 344433044 /nfs/dbraw/zinc/43/30/44/344433044.db2.gz MKVPUKJTVCUWKE-VXNVDRBHSA-N 1 2 197.307 1.393 20 0 ADADLO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccn[nH]1 220558574 344433308 /nfs/dbraw/zinc/43/33/08/344433308.db2.gz MKVPUKJTVCUWKE-APPZFPTMSA-N 1 2 197.307 1.393 20 0 ADADLO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccn[nH]1 220558653 344433362 /nfs/dbraw/zinc/43/33/62/344433362.db2.gz MKVPUKJTVCUWKE-IONNQARKSA-N 1 2 197.307 1.393 20 0 ADADLO C[C@@H]1CCN(c2cccc[nH+]2)C[C@@H]1O 221198414 344439484 /nfs/dbraw/zinc/43/94/84/344439484.db2.gz LTRKJCXNILTFDI-ZJUUUORDSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@H]1CCN(c2cccc[nH+]2)C[C@@H]1O 221198482 344439561 /nfs/dbraw/zinc/43/95/61/344439561.db2.gz LTRKJCXNILTFDI-UWVGGRQHSA-N 1 2 192.262 1.289 20 0 ADADLO COC1CC(Nc2c[nH+]cc(C)c2)C1 221244550 344440666 /nfs/dbraw/zinc/44/06/66/344440666.db2.gz HYGLZJFWUTWUBE-UHFFFAOYSA-N 1 2 192.262 1.979 20 0 ADADLO COC1CC(Nc2ccc(C)[nH+]c2)C1 221241429 344440791 /nfs/dbraw/zinc/44/07/91/344440791.db2.gz DLXRKKMWLSUNSN-UHFFFAOYSA-N 1 2 192.262 1.979 20 0 ADADLO C[C@@]1([NH2+]Cc2ccn[nH]2)CCCOC1 221365115 344442339 /nfs/dbraw/zinc/44/23/39/344442339.db2.gz ABSRQLJDKXPWQZ-SNVBAGLBSA-N 1 2 195.266 1.068 20 0 ADADLO C[C@]1([NH2+]Cc2ccn[nH]2)CCCOC1 221365165 344442371 /nfs/dbraw/zinc/44/23/71/344442371.db2.gz ABSRQLJDKXPWQZ-JTQLQIEISA-N 1 2 195.266 1.068 20 0 ADADLO CCCC[N@H+](C)CC(F)F 221748278 344445438 /nfs/dbraw/zinc/44/54/38/344445438.db2.gz XTRRRQSENOSOKJ-UHFFFAOYSA-N 1 2 151.200 1.983 20 0 ADADLO CCCC[N@@H+](C)CC(F)F 221748278 344445441 /nfs/dbraw/zinc/44/54/41/344445441.db2.gz XTRRRQSENOSOKJ-UHFFFAOYSA-N 1 2 151.200 1.983 20 0 ADADLO CO[C@@H]1CCCN(c2cccc[nH+]2)C1 223189986 344458280 /nfs/dbraw/zinc/45/82/80/344458280.db2.gz GBIFPHOVKIAYDE-SNVBAGLBSA-N 1 2 192.262 1.697 20 0 ADADLO CC[N@H+]1CC[C@@H](C)C(F)(F)C1 225246445 344478984 /nfs/dbraw/zinc/47/89/84/344478984.db2.gz BYTSXPMKWGBQHH-SSDOTTSWSA-N 1 2 163.211 1.983 20 0 ADADLO CCCN(C)c1cc(C)[nH+]cn1 223672886 344461585 /nfs/dbraw/zinc/46/15/85/344461585.db2.gz YBJJZSLYTFRZRH-UHFFFAOYSA-N 1 2 165.240 1.631 20 0 ADADLO Cc1cc(N(C)C2CC2)nc[nH+]1 223674727 344462107 /nfs/dbraw/zinc/46/21/07/344462107.db2.gz VDADYYOZNPOBRT-UHFFFAOYSA-N 1 2 163.224 1.384 20 0 ADADLO COc1ccc[nH+]c1NC[C@@H](C)OC 224356645 344468032 /nfs/dbraw/zinc/46/80/32/344468032.db2.gz OTYBKVDQGXIEEG-MRVPVSSYSA-N 1 2 196.250 1.537 20 0 ADADLO COc1ccc[nH+]c1NC[C@H](C)OC 224356693 344467972 /nfs/dbraw/zinc/46/79/72/344467972.db2.gz OTYBKVDQGXIEEG-QMMMGPOBSA-N 1 2 196.250 1.537 20 0 ADADLO c1ccc(NCCOCC2CC2)[nH+]c1 224506433 344470454 /nfs/dbraw/zinc/47/04/54/344470454.db2.gz BQINWCJOBRXJCS-UHFFFAOYSA-N 1 2 192.262 1.920 20 0 ADADLO CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 225246445 344478983 /nfs/dbraw/zinc/47/89/83/344478983.db2.gz BYTSXPMKWGBQHH-SSDOTTSWSA-N 1 2 163.211 1.983 20 0 ADADLO CC[N@@H+]1CC[C@H](C)C(F)(F)C1 225246412 344479148 /nfs/dbraw/zinc/47/91/48/344479148.db2.gz BYTSXPMKWGBQHH-ZETCQYMHSA-N 1 2 163.211 1.983 20 0 ADADLO CC[N@H+]1CC[C@H](C)C(F)(F)C1 225246412 344479150 /nfs/dbraw/zinc/47/91/50/344479150.db2.gz BYTSXPMKWGBQHH-ZETCQYMHSA-N 1 2 163.211 1.983 20 0 ADADLO C[NH2+]Cc1noc([C@@H]2CCC[C@@H]2C)n1 225426196 344480963 /nfs/dbraw/zinc/48/09/63/344480963.db2.gz HWXLGVPHDAOQPZ-JGVFFNPUSA-N 1 2 195.266 1.693 20 0 ADADLO C[NH2+]Cc1noc([C@H]2CC2(C)C)n1 225426768 344481056 /nfs/dbraw/zinc/48/10/56/344481056.db2.gz YOGYFKRBIFGJRL-ZCFIWIBFSA-N 1 2 181.239 1.303 20 0 ADADLO C[NH2+]Cc1noc([C@H]2CCC[C@H]2C)n1 225426318 344481062 /nfs/dbraw/zinc/48/10/62/344481062.db2.gz HWXLGVPHDAOQPZ-SFYZADRCSA-N 1 2 195.266 1.693 20 0 ADADLO C[NH2+]Cc1noc([C@H]2CCC[C@@H]2C)n1 225426239 344481126 /nfs/dbraw/zinc/48/11/26/344481126.db2.gz HWXLGVPHDAOQPZ-YUMQZZPRSA-N 1 2 195.266 1.693 20 0 ADADLO Fc1c[nH+]ccc1N1CCOCC1 225440396 344481766 /nfs/dbraw/zinc/48/17/66/344481766.db2.gz HNPYVXHJBSVYCA-UHFFFAOYSA-N 1 2 182.198 1.057 20 0 ADADLO c1nnc(C[NH+]2CCCCCC2)[nH]1 225517118 344482473 /nfs/dbraw/zinc/48/24/73/344482473.db2.gz RQRSJTRZKTWXLE-UHFFFAOYSA-N 1 2 180.255 1.181 20 0 ADADLO CC(C)(CNc1cccc[nH+]1)C(N)=O 225738141 344485312 /nfs/dbraw/zinc/48/53/12/344485312.db2.gz JOWYLWULMRUGEP-UHFFFAOYSA-N 1 2 193.250 1.005 20 0 ADADLO Cc1cnc(CNc2cccc[nH+]2)o1 225818351 344488535 /nfs/dbraw/zinc/48/85/35/344488535.db2.gz WCDLLDDHZXFVTL-UHFFFAOYSA-N 1 2 189.218 1.990 20 0 ADADLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H](C)O1 225952076 344489565 /nfs/dbraw/zinc/48/95/65/344489565.db2.gz GMHUTCGHSQFSFP-AOOOYVTPSA-N 1 2 192.262 1.695 20 0 ADADLO CCCCC[N@H+](CCO)CC(F)F 226657762 344509687 /nfs/dbraw/zinc/50/96/87/344509687.db2.gz FVUYZVXRVBVSHT-UHFFFAOYSA-N 1 2 195.253 1.736 20 0 ADADLO CCCCC[N@@H+](CCO)CC(F)F 226657762 344509689 /nfs/dbraw/zinc/50/96/89/344509689.db2.gz FVUYZVXRVBVSHT-UHFFFAOYSA-N 1 2 195.253 1.736 20 0 ADADLO C[C@H]1CCN(c2cccc[nH+]2)[C@@H]1CO 227160212 344524059 /nfs/dbraw/zinc/52/40/59/344524059.db2.gz ULWANFHKOLIIQM-VHSXEESVSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@@H]1CCN(c2cccc[nH+]2)[C@@H]1CO 227160201 344524073 /nfs/dbraw/zinc/52/40/73/344524073.db2.gz ULWANFHKOLIIQM-NXEZZACHSA-N 1 2 192.262 1.289 20 0 ADADLO Cc1cncc(Cn2cc[nH+]c2)c1 227301453 344528255 /nfs/dbraw/zinc/52/82/55/344528255.db2.gz YVZIDYWFUPCKSM-UHFFFAOYSA-N 1 2 173.219 1.635 20 0 ADADLO Cc1ccc(NCC2(C)COC2)c[nH+]1 227531571 344533765 /nfs/dbraw/zinc/53/37/65/344533765.db2.gz AGCGHQSPLFSOAO-UHFFFAOYSA-N 1 2 192.262 1.838 20 0 ADADLO Nc1cc(SC2COC2)cc[nH+]1 227674853 344543870 /nfs/dbraw/zinc/54/38/70/344543870.db2.gz DGXZLFVBWFYYMJ-UHFFFAOYSA-N 1 2 182.248 1.155 20 0 ADADLO Nc1[nH+]cnc(N2CCCC2)c1Cl 227840500 344548491 /nfs/dbraw/zinc/54/84/91/344548491.db2.gz DHWABFOYIRULEY-UHFFFAOYSA-N 1 2 198.657 1.312 20 0 in-vitro ADADLO Nc1nc[nH+]c(N2CCCC2)c1Cl 227840500 344548493 /nfs/dbraw/zinc/54/84/93/344548493.db2.gz DHWABFOYIRULEY-UHFFFAOYSA-N 1 2 198.657 1.312 20 0 in-vitro ADADLO Nc1[nH+]cnc(NCC2CC2)c1Cl 227845700 344548857 /nfs/dbraw/zinc/54/88/57/344548857.db2.gz WVXRWAKWKUSDBU-UHFFFAOYSA-N 1 2 198.657 1.534 20 0 ADADLO Nc1nc[nH+]c(NCC2CC2)c1Cl 227845700 344548858 /nfs/dbraw/zinc/54/88/58/344548858.db2.gz WVXRWAKWKUSDBU-UHFFFAOYSA-N 1 2 198.657 1.534 20 0 ADADLO CSC1(C[NH2+]Cc2ccn[nH]2)CC1 227949225 344552575 /nfs/dbraw/zinc/55/25/75/344552575.db2.gz ZPLXMSBCBULGNP-UHFFFAOYSA-N 1 2 197.307 1.395 20 0 ADADLO Cc1c[nH+]cc([C@H](C)[C@@H](C)O)c1 227965518 344553297 /nfs/dbraw/zinc/55/32/97/344553297.db2.gz NUYWRLZJOMEFFH-RKDXNWHRSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1c[nH+]cc([C@H](C)[C@H](C)O)c1 227965540 344553352 /nfs/dbraw/zinc/55/33/52/344553352.db2.gz NUYWRLZJOMEFFH-BDAKNGLRSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1c[nH+]cc([C@@H](C)[C@H](C)O)c1 227965531 344553465 /nfs/dbraw/zinc/55/34/65/344553465.db2.gz NUYWRLZJOMEFFH-IUCAKERBSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1c[nH+]cc([C@@H](C)[C@@H](C)O)c1 227965510 344553706 /nfs/dbraw/zinc/55/37/06/344553706.db2.gz NUYWRLZJOMEFFH-DTWKUNHWSA-N 1 2 165.236 1.874 20 0 ADADLO CC[C@H]([NH2+]CC=C(C)C)C(=O)OC 228728456 344567247 /nfs/dbraw/zinc/56/72/47/344567247.db2.gz OMWPVDDQFZXIGE-VIFPVBQESA-N 1 2 185.267 1.494 20 0 ADADLO CC[C@@H]([NH2+]CC=C(C)C)C(=O)OC 228728442 344567304 /nfs/dbraw/zinc/56/73/04/344567304.db2.gz OMWPVDDQFZXIGE-SECBINFHSA-N 1 2 185.267 1.494 20 0 ADADLO Cc1nc(NC2(C)CC2)cc[nH+]1 228883559 344573093 /nfs/dbraw/zinc/57/30/93/344573093.db2.gz SJKHLMQLJDWGST-UHFFFAOYSA-N 1 2 163.224 1.749 20 0 ADADLO Cc1cc(NC2(C)CC2)nc[nH+]1 228887086 344573709 /nfs/dbraw/zinc/57/37/09/344573709.db2.gz YYAMJPYQJOEKRJ-UHFFFAOYSA-N 1 2 163.224 1.749 20 0 ADADLO C[C@@]1(O)CCN(c2cccc[nH+]2)C1 230476143 344636755 /nfs/dbraw/zinc/63/67/55/344636755.db2.gz OMYRMLQMWBFJDZ-SNVBAGLBSA-N 1 2 178.235 1.043 20 0 ADADLO Cc1nc(N[C@H]2CCSC2)cc[nH+]1 230919572 344645084 /nfs/dbraw/zinc/64/50/84/344645084.db2.gz OPSIJPXUKNFRQM-QMMMGPOBSA-N 1 2 195.291 1.702 20 0 ADADLO Cc1nc(N[C@@H]2CCSC2)cc[nH+]1 230919523 344645201 /nfs/dbraw/zinc/64/52/01/344645201.db2.gz OPSIJPXUKNFRQM-MRVPVSSYSA-N 1 2 195.291 1.702 20 0 ADADLO CC(C)[C@@H](CCO)Nc1cccc[nH+]1 230915371 344645222 /nfs/dbraw/zinc/64/52/22/344645222.db2.gz AHSWXOROWXBTND-SNVBAGLBSA-N 1 2 194.278 1.901 20 0 ADADLO CC(C)[C@H](CCO)Nc1cccc[nH+]1 230915375 344645296 /nfs/dbraw/zinc/64/52/96/344645296.db2.gz AHSWXOROWXBTND-JTQLQIEISA-N 1 2 194.278 1.901 20 0 ADADLO Cc1cc(N[C@H]2CCSC2)nc[nH+]1 230919095 344645327 /nfs/dbraw/zinc/64/53/27/344645327.db2.gz LBHLILARXIYIOB-QMMMGPOBSA-N 1 2 195.291 1.702 20 0 ADADLO CC[C@@H]1C[C@H]1Nc1cc[nH+]c(C)n1 230906021 344645333 /nfs/dbraw/zinc/64/53/33/344645333.db2.gz NZDWNEFIUYYHSM-RKDXNWHRSA-N 1 2 177.251 1.995 20 0 ADADLO Cc1cc(N[C@@H]2CCSC2)nc[nH+]1 230919091 344645351 /nfs/dbraw/zinc/64/53/51/344645351.db2.gz LBHLILARXIYIOB-MRVPVSSYSA-N 1 2 195.291 1.702 20 0 ADADLO C[N@H+](CC(F)F)[C@@H]1CCCC[C@H]1O 230946361 344646284 /nfs/dbraw/zinc/64/62/84/344646284.db2.gz MKKSYZIFGPMKSZ-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO C[N@@H+](CC(F)F)[C@@H]1CCCC[C@H]1O 230946361 344646286 /nfs/dbraw/zinc/64/62/86/344646286.db2.gz MKKSYZIFGPMKSZ-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO CC(C)(CCO)CNc1cccc[nH+]1 231158024 344648642 /nfs/dbraw/zinc/64/86/42/344648642.db2.gz UPWAVXIMRXSRKP-UHFFFAOYSA-N 1 2 194.278 1.902 20 0 ADADLO Clc1cnc(Cn2cc[nH+]c2)cn1 231285384 344650017 /nfs/dbraw/zinc/65/00/17/344650017.db2.gz RAWBIDNJIJHEAP-UHFFFAOYSA-N 1 2 194.625 1.375 20 0 ADADLO O=C(CC1CCC1)NCc1[nH]cc[nH+]1 231295577 344650446 /nfs/dbraw/zinc/65/04/46/344650446.db2.gz SALKLHZECGHYNU-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO C[C@H]1CC[C@@H](Cn2cc[nH+]c2)O1 232048232 344670547 /nfs/dbraw/zinc/67/05/47/344670547.db2.gz UYEYDXPKOOCAAF-IUCAKERBSA-N 1 2 166.224 1.451 20 0 ADADLO C[C@@H]1CC[C@H](Cn2cc[nH+]c2)O1 232048234 344670652 /nfs/dbraw/zinc/67/06/52/344670652.db2.gz UYEYDXPKOOCAAF-RKDXNWHRSA-N 1 2 166.224 1.451 20 0 ADADLO C[C@@H]1CC[C@@H](Cn2cc[nH+]c2)O1 232048231 344670703 /nfs/dbraw/zinc/67/07/03/344670703.db2.gz UYEYDXPKOOCAAF-BDAKNGLRSA-N 1 2 166.224 1.451 20 0 ADADLO C[C@H]1CC[C@H](Cn2cc[nH+]c2)O1 232048236 344670818 /nfs/dbraw/zinc/67/08/18/344670818.db2.gz UYEYDXPKOOCAAF-DTWKUNHWSA-N 1 2 166.224 1.451 20 0 ADADLO c1ccc(NCc2cccnn2)[nH+]c1 232459694 344677814 /nfs/dbraw/zinc/67/78/14/344677814.db2.gz JFQIYGWWJITKRZ-UHFFFAOYSA-N 1 2 186.218 1.484 20 0 ADADLO CC1(C)C[C@H]1c1nc(N)cc[nH+]1 232827307 344693644 /nfs/dbraw/zinc/69/36/44/344693644.db2.gz BBBVOLZAIUCRPS-LURJTMIESA-N 1 2 163.224 1.572 20 0 ADADLO CC1(C)C[C@@H]1c1nc(N)cc[nH+]1 232864173 344695683 /nfs/dbraw/zinc/69/56/83/344695683.db2.gz BBBVOLZAIUCRPS-ZCFIWIBFSA-N 1 2 163.224 1.572 20 0 ADADLO COC(=O)[C@@H]([NH2+]CC=C(C)C)C1CC1 234544213 344722648 /nfs/dbraw/zinc/72/26/48/344722648.db2.gz TZWMBGKYELWJJQ-JTQLQIEISA-N 1 2 197.278 1.494 20 0 ADADLO COC(=O)[C@H]([NH2+]CC=C(C)C)C1CC1 234558198 344722895 /nfs/dbraw/zinc/72/28/95/344722895.db2.gz TZWMBGKYELWJJQ-SNVBAGLBSA-N 1 2 197.278 1.494 20 0 ADADLO C[C@@H]1CCC[NH2+][C@H]1C(=O)OC(C)(C)C 235297443 344741788 /nfs/dbraw/zinc/74/17/88/344741788.db2.gz MWMHFSGRPVHGQT-RKDXNWHRSA-N 1 2 199.294 1.716 20 0 ADADLO C[C@@H]1CCC[NH2+][C@@H]1C(=O)OC(C)(C)C 235313924 344742713 /nfs/dbraw/zinc/74/27/13/344742713.db2.gz MWMHFSGRPVHGQT-BDAKNGLRSA-N 1 2 199.294 1.716 20 0 ADADLO C[C@H]1CCC[NH2+][C@H]1C(=O)OC(C)(C)C 235583940 344757621 /nfs/dbraw/zinc/75/76/21/344757621.db2.gz MWMHFSGRPVHGQT-DTWKUNHWSA-N 1 2 199.294 1.716 20 0 ADADLO C[C@H]1CCC[NH2+][C@@H]1C(=O)OC(C)(C)C 235633342 344760592 /nfs/dbraw/zinc/76/05/92/344760592.db2.gz MWMHFSGRPVHGQT-IUCAKERBSA-N 1 2 199.294 1.716 20 0 ADADLO Fc1cncc(Cn2cc[nH+]c2)c1 236267438 344778741 /nfs/dbraw/zinc/77/87/41/344778741.db2.gz UXOQGHNSDHXYPO-UHFFFAOYSA-N 1 2 177.182 1.466 20 0 ADADLO Nc1[nH+]cnc(NC2CCC2)c1Cl 236390279 344783922 /nfs/dbraw/zinc/78/39/22/344783922.db2.gz MPUDLEIOIRXVMS-UHFFFAOYSA-N 1 2 198.657 1.677 20 0 ADADLO Nc1nc[nH+]c(NC2CCC2)c1Cl 236390279 344783925 /nfs/dbraw/zinc/78/39/25/344783925.db2.gz MPUDLEIOIRXVMS-UHFFFAOYSA-N 1 2 198.657 1.677 20 0 ADADLO O[C@@H]1CC[C@@H](CNc2cccc[nH+]2)C1 236537195 344788421 /nfs/dbraw/zinc/78/84/21/344788421.db2.gz NIMJNJBDOGTFIR-NXEZZACHSA-N 1 2 192.262 1.655 20 0 ADADLO O[C@@H]1CC[C@H](CNc2cccc[nH+]2)C1 236551486 344788657 /nfs/dbraw/zinc/78/86/57/344788657.db2.gz NIMJNJBDOGTFIR-VHSXEESVSA-N 1 2 192.262 1.655 20 0 ADADLO O[C@H]1CC[C@@H](CNc2cccc[nH+]2)C1 236567551 344789367 /nfs/dbraw/zinc/78/93/67/344789367.db2.gz NIMJNJBDOGTFIR-ZJUUUORDSA-N 1 2 192.262 1.655 20 0 ADADLO O[C@H]1CC[C@H](CNc2cccc[nH+]2)C1 236580926 344789774 /nfs/dbraw/zinc/78/97/74/344789774.db2.gz NIMJNJBDOGTFIR-UWVGGRQHSA-N 1 2 192.262 1.655 20 0 ADADLO CCNc1[nH+]c(C)nc2[nH]ccc12 238257282 344797435 /nfs/dbraw/zinc/79/74/35/344797435.db2.gz 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/nfs/dbraw/zinc/94/75/72/344947572.db2.gz APCTZXBDJSHDAM-QMMMGPOBSA-N 1 2 191.221 1.506 20 0 ADADLO CC[C@H]([NH2+][C@@H]1C[C@H]1CC)C(=O)OC 300385128 344980154 /nfs/dbraw/zinc/98/01/54/344980154.db2.gz NGPQQKMJYTZWKU-HRDYMLBCSA-N 1 2 185.267 1.326 20 0 ADADLO CCn1ccc(NCc2c[nH+]c[nH]2)n1 300854522 345005703 /nfs/dbraw/zinc/00/57/03/345005703.db2.gz HYBUSUAKYDPVNK-UHFFFAOYSA-N 1 2 191.238 1.238 20 0 ADADLO CCn1ccc(NCc2c[nH]c[nH+]2)n1 300854522 345005704 /nfs/dbraw/zinc/00/57/04/345005704.db2.gz HYBUSUAKYDPVNK-UHFFFAOYSA-N 1 2 191.238 1.238 20 0 ADADLO CO[C@H]1CCC[N@H+](CC(F)F)C1 306157273 345047619 /nfs/dbraw/zinc/04/76/19/345047619.db2.gz JSRGFLDINWQZEK-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO CO[C@H]1CCC[N@@H+](CC(F)F)C1 306157273 345047620 /nfs/dbraw/zinc/04/76/20/345047620.db2.gz JSRGFLDINWQZEK-ZETCQYMHSA-N 1 2 179.210 1.362 20 0 ADADLO CO[C@@H]1CCC[N@H+](CC(F)F)C1 306157270 345047701 /nfs/dbraw/zinc/04/77/01/345047701.db2.gz JSRGFLDINWQZEK-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO CO[C@@H]1CCC[N@@H+](CC(F)F)C1 306157270 345047704 /nfs/dbraw/zinc/04/77/04/345047704.db2.gz JSRGFLDINWQZEK-SSDOTTSWSA-N 1 2 179.210 1.362 20 0 ADADLO Cc1nnc(C[N@@H+](C)C2CCC2)s1 306163141 345054097 /nfs/dbraw/zinc/05/40/97/345054097.db2.gz QZXHMYYDKZDLPF-UHFFFAOYSA-N 1 2 197.307 1.831 20 0 ADADLO Cc1nnc(C[N@H+](C)C2CCC2)s1 306163141 345054099 /nfs/dbraw/zinc/05/40/99/345054099.db2.gz QZXHMYYDKZDLPF-UHFFFAOYSA-N 1 2 197.307 1.831 20 0 ADADLO Cc1cc(N2CCC[C@H]2C)nc[nH+]1 306163075 345054120 /nfs/dbraw/zinc/05/41/20/345054120.db2.gz QVNBMXKVICNOGX-SECBINFHSA-N 1 2 177.251 1.774 20 0 ADADLO Cc1cc(N2CCC[C@@H]2C)nc[nH+]1 306163080 345054301 /nfs/dbraw/zinc/05/43/01/345054301.db2.gz QVNBMXKVICNOGX-VIFPVBQESA-N 1 2 177.251 1.774 20 0 ADADLO C[C@H](F)CCn1cc[nH+]c1 306185086 345075775 /nfs/dbraw/zinc/07/57/75/345075775.db2.gz MCGPTHINJZGLLC-ZETCQYMHSA-N 1 2 142.177 1.631 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccco2)CCO1 306188681 345079100 /nfs/dbraw/zinc/07/91/00/345079100.db2.gz OXQOCQSHOZDGQX-VIFPVBQESA-N 1 2 181.235 1.500 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccco2)CCO1 306188681 345079103 /nfs/dbraw/zinc/07/91/03/345079103.db2.gz OXQOCQSHOZDGQX-VIFPVBQESA-N 1 2 181.235 1.500 20 0 ADADLO Cc1cc(N[C@@H](C)CF)nc[nH+]1 306194324 345083999 /nfs/dbraw/zinc/08/39/99/345083999.db2.gz FUQUHRYOUFNIJJ-ZETCQYMHSA-N 1 2 169.203 1.555 20 0 ADADLO CO[C@]1(C)CCC[N@H+](CC(F)F)C1 306206666 345095801 /nfs/dbraw/zinc/09/58/01/345095801.db2.gz QFJXQLJYCREINE-SECBINFHSA-N 1 2 193.237 1.752 20 0 ADADLO CO[C@]1(C)CCC[N@@H+](CC(F)F)C1 306206666 345095804 /nfs/dbraw/zinc/09/58/04/345095804.db2.gz QFJXQLJYCREINE-SECBINFHSA-N 1 2 193.237 1.752 20 0 ADADLO CO[C@@]1(C)CCC[N@H+](CC(F)F)C1 306206667 345096026 /nfs/dbraw/zinc/09/60/26/345096026.db2.gz QFJXQLJYCREINE-VIFPVBQESA-N 1 2 193.237 1.752 20 0 ADADLO CO[C@@]1(C)CCC[N@@H+](CC(F)F)C1 306206667 345096027 /nfs/dbraw/zinc/09/60/27/345096027.db2.gz QFJXQLJYCREINE-VIFPVBQESA-N 1 2 193.237 1.752 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2csnn2)C1 306211403 345101225 /nfs/dbraw/zinc/10/12/25/345101225.db2.gz JQZLRMGBHSQSDX-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2csnn2)C1 306211403 345101229 /nfs/dbraw/zinc/10/12/29/345101229.db2.gz JQZLRMGBHSQSDX-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO Cc1nc(N2CC[C@@H](C)C2)cc[nH+]1 306215228 345106287 /nfs/dbraw/zinc/10/62/87/345106287.db2.gz YWNFMVZCHRXIGV-MRVPVSSYSA-N 1 2 177.251 1.631 20 0 ADADLO CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 306217434 345109429 /nfs/dbraw/zinc/10/94/29/345109429.db2.gz JYJYQIJOFXJQIL-QMMMGPOBSA-N 1 2 179.223 1.093 20 0 ADADLO CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 306217433 345109562 /nfs/dbraw/zinc/10/95/62/345109562.db2.gz JYJYQIJOFXJQIL-MRVPVSSYSA-N 1 2 179.223 1.093 20 0 ADADLO CC(C)C1C[NH+](Cc2csnn2)C1 306222618 345115562 /nfs/dbraw/zinc/11/55/62/345115562.db2.gz QUERYGRMPZYFOG-UHFFFAOYSA-N 1 2 197.307 1.626 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2cnn[nH]2)C1 306225290 345119059 /nfs/dbraw/zinc/11/90/59/345119059.db2.gz FCHZKYSSECKZDP-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 306225290 345119061 /nfs/dbraw/zinc/11/90/61/345119061.db2.gz FCHZKYSSECKZDP-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 306225290 345119062 /nfs/dbraw/zinc/11/90/62/345119062.db2.gz FCHZKYSSECKZDP-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 306225290 345119063 /nfs/dbraw/zinc/11/90/63/345119063.db2.gz FCHZKYSSECKZDP-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 306225290 345119065 /nfs/dbraw/zinc/11/90/65/345119065.db2.gz FCHZKYSSECKZDP-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 306225290 345119067 /nfs/dbraw/zinc/11/90/67/345119067.db2.gz FCHZKYSSECKZDP-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO Cc1nc(NCC2(C)COC2)cc[nH+]1 306229242 345122599 /nfs/dbraw/zinc/12/25/99/345122599.db2.gz YBAYGSDKMMGPQM-UHFFFAOYSA-N 1 2 193.250 1.233 20 0 ADADLO c1n[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 306237344 345130375 /nfs/dbraw/zinc/13/03/75/345130375.db2.gz LUBFRHALBHRQFW-HRDYMLBCSA-N 1 2 192.266 1.083 20 0 ADADLO CN(C)c1ccc(NCC2CC2)[nH+]c1 306245370 345137116 /nfs/dbraw/zinc/13/71/16/345137116.db2.gz NTVNLWBKPXGLNH-UHFFFAOYSA-N 1 2 191.278 1.970 20 0 ADADLO Cc1cc(C[NH+]2CCSCC2)[nH]n1 306254888 345146507 /nfs/dbraw/zinc/14/65/07/345146507.db2.gz WRLJFEDUWULAED-UHFFFAOYSA-N 1 2 197.307 1.267 20 0 ADADLO Cc1cc(NCC2(C)COC2)nc[nH+]1 306266942 345156081 /nfs/dbraw/zinc/15/60/81/345156081.db2.gz HPTYKSJOCYOMEW-UHFFFAOYSA-N 1 2 193.250 1.233 20 0 ADADLO C[C@H]1C[C@@H]([NH2+]CCF)c2nccn21 306270113 345158462 /nfs/dbraw/zinc/15/84/62/345158462.db2.gz OAVNPVHMZZWMNO-JGVFFNPUSA-N 1 2 183.230 1.448 20 0 ADADLO C[C@H]1C[C@H]([NH2+]CCF)c2nccn21 306270115 345158785 /nfs/dbraw/zinc/15/87/85/345158785.db2.gz OAVNPVHMZZWMNO-YUMQZZPRSA-N 1 2 183.230 1.448 20 0 ADADLO CC[C@H](F)C[N@H+]1CCOCC12CC2 306270564 345159086 /nfs/dbraw/zinc/15/90/86/345159086.db2.gz UMXBMTBCCHQSCA-VIFPVBQESA-N 1 2 187.258 1.599 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCOCC12CC2 306270563 345159185 /nfs/dbraw/zinc/15/91/85/345159185.db2.gz UMXBMTBCCHQSCA-SECBINFHSA-N 1 2 187.258 1.599 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCOCC12CC2 306270563 345159186 /nfs/dbraw/zinc/15/91/86/345159186.db2.gz UMXBMTBCCHQSCA-SECBINFHSA-N 1 2 187.258 1.599 20 0 ADADLO CC1=CC[N@H+](Cc2ncc[nH]2)CC1 306273381 345160952 /nfs/dbraw/zinc/16/09/52/345160952.db2.gz ZHBYHRZZPKFQPU-UHFFFAOYSA-N 1 2 177.251 1.562 20 0 ADADLO CC1=CC[N@@H+](Cc2ncc[nH]2)CC1 306273381 345160956 /nfs/dbraw/zinc/16/09/56/345160956.db2.gz ZHBYHRZZPKFQPU-UHFFFAOYSA-N 1 2 177.251 1.562 20 0 ADADLO Cc1conc1NCc1c[nH+]cn1C 306274806 345162276 /nfs/dbraw/zinc/16/22/76/345162276.db2.gz BGQOIAOTRMQYHM-UHFFFAOYSA-N 1 2 192.222 1.329 20 0 ADADLO CCCc1[nH+]cc(N)cc1C 306290764 345172756 /nfs/dbraw/zinc/17/27/56/345172756.db2.gz QEBCLXPYRYCABB-UHFFFAOYSA-N 1 2 150.225 1.925 20 0 ADADLO CCCC(=O)Nc1cc[nH+]cc1O 306290503 345173042 /nfs/dbraw/zinc/17/30/42/345173042.db2.gz QIOBOWJMCIEKJM-UHFFFAOYSA-N 1 2 180.207 1.526 20 0 ADADLO Cc1[nH]ncc1C[N@@H+](C)C1CCC1 306299169 345179768 /nfs/dbraw/zinc/17/97/68/345179768.db2.gz XYYSEAMIGLNMNT-UHFFFAOYSA-N 1 2 179.267 1.702 20 0 ADADLO Cc1[nH]ncc1C[N@H+](C)C1CCC1 306299169 345179770 /nfs/dbraw/zinc/17/97/70/345179770.db2.gz XYYSEAMIGLNMNT-UHFFFAOYSA-N 1 2 179.267 1.702 20 0 ADADLO C[C@]1(F)CCN(Cc2[nH]cc[nH+]2)C1 306304634 345183996 /nfs/dbraw/zinc/18/39/96/345183996.db2.gz ICWLTWCWOKRYDZ-VIFPVBQESA-N 1 2 183.230 1.344 20 0 ADADLO C[C@@]1(F)CCN(Cc2[nH]cc[nH+]2)C1 306304633 345184065 /nfs/dbraw/zinc/18/40/65/345184065.db2.gz ICWLTWCWOKRYDZ-SECBINFHSA-N 1 2 183.230 1.344 20 0 ADADLO Cc1nc(N[C@H]2C[C@@H]2C(F)F)cc[nH+]1 306312483 345191626 /nfs/dbraw/zinc/19/16/26/345191626.db2.gz NMGQKPKLQLXVGM-BQBZGAKWSA-N 1 2 199.204 1.851 20 0 ADADLO C[C@@]1(F)CC[N@H+](Cc2ccno2)C1 306313952 345192454 /nfs/dbraw/zinc/19/24/54/345192454.db2.gz PCKYIBJDOLIGLO-SECBINFHSA-N 1 2 184.214 1.609 20 0 ADADLO C[C@@]1(F)CC[N@@H+](Cc2ccno2)C1 306313952 345192458 /nfs/dbraw/zinc/19/24/58/345192458.db2.gz PCKYIBJDOLIGLO-SECBINFHSA-N 1 2 184.214 1.609 20 0 ADADLO C[C@]1(F)CC[N@H+](Cc2ccno2)C1 306313953 345192587 /nfs/dbraw/zinc/19/25/87/345192587.db2.gz PCKYIBJDOLIGLO-VIFPVBQESA-N 1 2 184.214 1.609 20 0 ADADLO C[C@]1(F)CC[N@@H+](Cc2ccno2)C1 306313953 345192591 /nfs/dbraw/zinc/19/25/91/345192591.db2.gz PCKYIBJDOLIGLO-VIFPVBQESA-N 1 2 184.214 1.609 20 0 ADADLO Cc1cc(C[N@H+]2CC=CCC2)n[nH]1 306317310 345195856 /nfs/dbraw/zinc/19/58/56/345195856.db2.gz RWEFBBGMXXRMDQ-UHFFFAOYSA-N 1 2 177.251 1.480 20 0 ADADLO Cc1cc(C[N@@H+]2CC=CCC2)n[nH]1 306317310 345195857 /nfs/dbraw/zinc/19/58/57/345195857.db2.gz RWEFBBGMXXRMDQ-UHFFFAOYSA-N 1 2 177.251 1.480 20 0 ADADLO CC(C)[C@](C)(O)CNc1cccc[nH+]1 306321196 345198636 /nfs/dbraw/zinc/19/86/36/345198636.db2.gz JLXQVGAUCFYVBB-LLVKDONJSA-N 1 2 194.278 1.901 20 0 ADADLO CC(C)[C@@](C)(O)CNc1cccc[nH+]1 306321203 345198695 /nfs/dbraw/zinc/19/86/95/345198695.db2.gz JLXQVGAUCFYVBB-NSHDSACASA-N 1 2 194.278 1.901 20 0 ADADLO Cc1c[nH]nc1CNc1cccc[nH+]1 306331112 345207865 /nfs/dbraw/zinc/20/78/65/345207865.db2.gz CDNCDCPBNWCPFA-UHFFFAOYSA-N 1 2 188.234 1.725 20 0 ADADLO C[N@H+](Cc1nccs1)C1CC(O)C1 306332299 345209526 /nfs/dbraw/zinc/20/95/26/345209526.db2.gz CWZWMTMDEONRMT-UHFFFAOYSA-N 1 2 198.291 1.098 20 0 ADADLO C[N@@H+](Cc1nccs1)C1CC(O)C1 306332299 345209527 /nfs/dbraw/zinc/20/95/27/345209527.db2.gz CWZWMTMDEONRMT-UHFFFAOYSA-N 1 2 198.291 1.098 20 0 ADADLO Cc1cc(N[C@H]2CCC[C@@H]2O)nc[nH+]1 306334682 345211177 /nfs/dbraw/zinc/21/11/77/345211177.db2.gz IZQMHJSZMLDIAG-IUCAKERBSA-N 1 2 193.250 1.110 20 0 ADADLO Cc1cc(N[C@@H]2CCC[C@H]2O)nc[nH+]1 306334683 345211359 /nfs/dbraw/zinc/21/13/59/345211359.db2.gz IZQMHJSZMLDIAG-RKDXNWHRSA-N 1 2 193.250 1.110 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCC(=O)[C@H](C)C1 306343342 345217090 /nfs/dbraw/zinc/21/70/90/345217090.db2.gz HZHMWZFKUJUZAD-BDAKNGLRSA-N 1 2 187.258 1.645 20 0 ADADLO CC[C@H](F)C[N@H+]1CCC(=O)[C@H](C)C1 306343342 345217092 /nfs/dbraw/zinc/21/70/92/345217092.db2.gz HZHMWZFKUJUZAD-BDAKNGLRSA-N 1 2 187.258 1.645 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCC(=O)[C@H](C)C1 306343346 345217149 /nfs/dbraw/zinc/21/71/49/345217149.db2.gz HZHMWZFKUJUZAD-RKDXNWHRSA-N 1 2 187.258 1.645 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCC(=O)[C@H](C)C1 306343346 345217151 /nfs/dbraw/zinc/21/71/51/345217151.db2.gz HZHMWZFKUJUZAD-RKDXNWHRSA-N 1 2 187.258 1.645 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCC(=O)[C@@H](C)C1 306343345 345217220 /nfs/dbraw/zinc/21/72/20/345217220.db2.gz HZHMWZFKUJUZAD-IUCAKERBSA-N 1 2 187.258 1.645 20 0 ADADLO CC[C@H](F)C[N@H+]1CCC(=O)[C@@H](C)C1 306343345 345217223 /nfs/dbraw/zinc/21/72/23/345217223.db2.gz HZHMWZFKUJUZAD-IUCAKERBSA-N 1 2 187.258 1.645 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCC(=O)[C@@H](C)C1 306343343 345217246 /nfs/dbraw/zinc/21/72/46/345217246.db2.gz HZHMWZFKUJUZAD-DTWKUNHWSA-N 1 2 187.258 1.645 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCC(=O)[C@@H](C)C1 306343343 345217250 /nfs/dbraw/zinc/21/72/50/345217250.db2.gz HZHMWZFKUJUZAD-DTWKUNHWSA-N 1 2 187.258 1.645 20 0 ADADLO Cc1ncc(Cn2cc[nH+]c2)cn1 306351482 345224643 /nfs/dbraw/zinc/22/46/43/345224643.db2.gz XTGYDCFCGGIVDF-UHFFFAOYSA-N 1 2 174.207 1.030 20 0 ADADLO CCOC(=O)c1ccc(C)[nH+]c1NC 306373262 345240764 /nfs/dbraw/zinc/24/07/64/345240764.db2.gz KBVPOMTUSLZHDM-UHFFFAOYSA-N 1 2 194.234 1.608 20 0 ADADLO Cn1c(Cl)cnc1C[NH+]1CCCC1 306373021 345240986 /nfs/dbraw/zinc/24/09/86/345240986.db2.gz RRYGXHSHBQSEME-UHFFFAOYSA-N 1 2 199.685 1.669 20 0 ADADLO CC[C@H](O)C[N@@H+]1CCC(F)(F)C1 306373889 345241299 /nfs/dbraw/zinc/24/12/99/345241299.db2.gz KMUOUOVMXPOJOA-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO CC[C@H](O)C[N@H+]1CCC(F)(F)C1 306373889 345241301 /nfs/dbraw/zinc/24/13/01/345241301.db2.gz KMUOUOVMXPOJOA-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccsc2)CCO1 306394659 345256910 /nfs/dbraw/zinc/25/69/10/345256910.db2.gz GCYLUICASXNSGY-VIFPVBQESA-N 1 2 197.303 1.969 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccsc2)CCO1 306394659 345256913 /nfs/dbraw/zinc/25/69/13/345256913.db2.gz GCYLUICASXNSGY-VIFPVBQESA-N 1 2 197.303 1.969 20 0 ADADLO CC[C@H](C)[N@@H+]1CCOCC(F)(F)C1 306394441 345257078 /nfs/dbraw/zinc/25/70/78/345257078.db2.gz DXWIYUHJTHBTKB-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CC[C@H](C)[N@H+]1CCOCC(F)(F)C1 306394441 345257080 /nfs/dbraw/zinc/25/70/80/345257080.db2.gz DXWIYUHJTHBTKB-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO Cc1nc(N(C)C2CCC2)cc[nH+]1 306418262 345275883 /nfs/dbraw/zinc/27/58/83/345275883.db2.gz SYFJPECFDSZDMM-UHFFFAOYSA-N 1 2 177.251 1.774 20 0 ADADLO Cc1nc(N2CCC2)c(C)c(C)[nH+]1 306420324 345277946 /nfs/dbraw/zinc/27/79/46/345277946.db2.gz XDJJWBWPTQDHMB-UHFFFAOYSA-N 1 2 177.251 1.612 20 0 ADADLO CC[C@@H]1C[N@H+](CC(F)F)CCCO1 306425766 345283004 /nfs/dbraw/zinc/28/30/04/345283004.db2.gz JRPYIVBFRPVQEZ-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CC[C@@H]1C[N@@H+](CC(F)F)CCCO1 306425766 345283008 /nfs/dbraw/zinc/28/30/08/345283008.db2.gz JRPYIVBFRPVQEZ-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CC[C@H]1C[N@H+](CC(F)F)CCCO1 306425773 345283078 /nfs/dbraw/zinc/28/30/78/345283078.db2.gz JRPYIVBFRPVQEZ-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CC[C@H]1C[N@@H+](CC(F)F)CCCO1 306425773 345283081 /nfs/dbraw/zinc/28/30/81/345283081.db2.gz JRPYIVBFRPVQEZ-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO C[C@]1(F)CC[N@H+](Cc2ccon2)C1 306427765 345284285 /nfs/dbraw/zinc/28/42/85/345284285.db2.gz LJISTSBVIINLIH-VIFPVBQESA-N 1 2 184.214 1.609 20 0 ADADLO C[C@]1(F)CC[N@@H+](Cc2ccon2)C1 306427765 345284289 /nfs/dbraw/zinc/28/42/89/345284289.db2.gz LJISTSBVIINLIH-VIFPVBQESA-N 1 2 184.214 1.609 20 0 ADADLO C[C@@]1(F)CC[N@H+](Cc2ccon2)C1 306427764 345284428 /nfs/dbraw/zinc/28/44/28/345284428.db2.gz LJISTSBVIINLIH-SECBINFHSA-N 1 2 184.214 1.609 20 0 ADADLO C[C@@]1(F)CC[N@@H+](Cc2ccon2)C1 306427764 345284431 /nfs/dbraw/zinc/28/44/31/345284431.db2.gz LJISTSBVIINLIH-SECBINFHSA-N 1 2 184.214 1.609 20 0 ADADLO Cc1cc(C[NH+]2CCCC2)n[nH]1 306432541 345291846 /nfs/dbraw/zinc/29/18/46/345291846.db2.gz TVFGJMYMLLWWNG-UHFFFAOYSA-N 1 2 165.240 1.314 20 0 ADADLO C[N@H+](Cc1nccs1)C1CC1 306440774 345301390 /nfs/dbraw/zinc/30/13/90/345301390.db2.gz KUXQZPCZNJSBGY-UHFFFAOYSA-N 1 2 168.265 1.737 20 0 ADADLO C[N@@H+](Cc1nccs1)C1CC1 306440774 345301391 /nfs/dbraw/zinc/30/13/91/345301391.db2.gz KUXQZPCZNJSBGY-UHFFFAOYSA-N 1 2 168.265 1.737 20 0 ADADLO CN(c1cccc[nH+]1)[C@@H]1CCOC1 306441189 345301931 /nfs/dbraw/zinc/30/19/31/345301931.db2.gz ITHOQAJIWUPOTK-SECBINFHSA-N 1 2 178.235 1.307 20 0 ADADLO CN(c1cccc[nH+]1)[C@H]1CCOC1 306441191 345302123 /nfs/dbraw/zinc/30/21/23/345302123.db2.gz ITHOQAJIWUPOTK-VIFPVBQESA-N 1 2 178.235 1.307 20 0 ADADLO C[C@H]1COCC[N@@H+]1CCC(F)(F)F 306445939 345305713 /nfs/dbraw/zinc/30/57/13/345305713.db2.gz RGVQWYBLRUSUJV-ZETCQYMHSA-N 1 2 197.200 1.660 20 0 ADADLO C[C@H]1COCC[N@H+]1CCC(F)(F)F 306445939 345305715 /nfs/dbraw/zinc/30/57/15/345305715.db2.gz RGVQWYBLRUSUJV-ZETCQYMHSA-N 1 2 197.200 1.660 20 0 ADADLO CC[C@H]1C[N@H+](CCF)CCO1 306461450 345320891 /nfs/dbraw/zinc/32/08/91/345320891.db2.gz IZZONFYTXLWDBR-QMMMGPOBSA-N 1 2 161.220 1.067 20 0 ADADLO CC[C@H]1C[N@@H+](CCF)CCO1 306461450 345320894 /nfs/dbraw/zinc/32/08/94/345320894.db2.gz IZZONFYTXLWDBR-QMMMGPOBSA-N 1 2 161.220 1.067 20 0 ADADLO CC[C@@H]1C[N@H+](CCF)CCO1 306461449 345320990 /nfs/dbraw/zinc/32/09/90/345320990.db2.gz IZZONFYTXLWDBR-MRVPVSSYSA-N 1 2 161.220 1.067 20 0 ADADLO CC[C@@H]1C[N@@H+](CCF)CCO1 306461449 345320993 /nfs/dbraw/zinc/32/09/93/345320993.db2.gz IZZONFYTXLWDBR-MRVPVSSYSA-N 1 2 161.220 1.067 20 0 ADADLO CC1=CC[N@H+](CC(F)F)CC1 306468721 345330558 /nfs/dbraw/zinc/33/05/58/345330558.db2.gz SSPKLZYKNILQHQ-UHFFFAOYSA-N 1 2 161.195 1.904 20 0 ADADLO CC1=CC[N@@H+](CC(F)F)CC1 306468721 345330559 /nfs/dbraw/zinc/33/05/59/345330559.db2.gz SSPKLZYKNILQHQ-UHFFFAOYSA-N 1 2 161.195 1.904 20 0 ADADLO C[C@](O)(CNc1cccc[nH+]1)C1CC1 306469759 345332306 /nfs/dbraw/zinc/33/23/06/345332306.db2.gz PVOLWPHUEVNRKH-NSHDSACASA-N 1 2 192.262 1.655 20 0 ADADLO CC1(CNc2cccc[nH+]2)COC1 306469496 345332413 /nfs/dbraw/zinc/33/24/13/345332413.db2.gz OSEOUGQZSIZRKR-UHFFFAOYSA-N 1 2 178.235 1.530 20 0 ADADLO C[C@@](O)(CNc1cccc[nH+]1)C1CC1 306469757 345332538 /nfs/dbraw/zinc/33/25/38/345332538.db2.gz PVOLWPHUEVNRKH-LLVKDONJSA-N 1 2 192.262 1.655 20 0 ADADLO C[C@H]1C[N@H+](CCF)C[C@@H](C)O1 306471747 345335184 /nfs/dbraw/zinc/33/51/84/345335184.db2.gz SEHZXWIOZLMSOU-OCAPTIKFSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@H]1C[N@@H+](CCF)C[C@@H](C)O1 306471747 345335186 /nfs/dbraw/zinc/33/51/86/345335186.db2.gz SEHZXWIOZLMSOU-OCAPTIKFSA-N 1 2 161.220 1.065 20 0 ADADLO CC(F)(F)C[NH2+][C@@H]1CCOC1 306473556 345337462 /nfs/dbraw/zinc/33/74/62/345337462.db2.gz UPSJFSZDIOASSC-ZCFIWIBFSA-N 1 2 165.183 1.020 20 0 ADADLO CC(F)(F)C[NH2+][C@H]1CCOC1 306473555 345337502 /nfs/dbraw/zinc/33/75/02/345337502.db2.gz UPSJFSZDIOASSC-LURJTMIESA-N 1 2 165.183 1.020 20 0 ADADLO Cc1cc[nH+]c(NCCO)c1Cl 306479288 345346175 /nfs/dbraw/zinc/34/61/75/345346175.db2.gz DBFDGQKISBWHIW-UHFFFAOYSA-N 1 2 186.642 1.448 20 0 ADADLO FCC[N@H+]1CCOCC12CCC2 306486657 345356447 /nfs/dbraw/zinc/35/64/47/345356447.db2.gz STSFBYUBGFNVTO-UHFFFAOYSA-N 1 2 173.231 1.211 20 0 ADADLO FC(F)C[N@H+]1CC=CCC1 306487250 345357932 /nfs/dbraw/zinc/35/79/32/345357932.db2.gz YMKAAMAXZHRVDW-UHFFFAOYSA-N 1 2 147.168 1.513 20 0 ADADLO FC(F)C[N@@H+]1CC=CCC1 306487250 345357934 /nfs/dbraw/zinc/35/79/34/345357934.db2.gz YMKAAMAXZHRVDW-UHFFFAOYSA-N 1 2 147.168 1.513 20 0 ADADLO CCc1cc(N(C)C(C)C)nc[nH+]1 306489567 345360824 /nfs/dbraw/zinc/36/08/24/345360824.db2.gz MFCGLADASRYZCI-UHFFFAOYSA-N 1 2 179.267 1.884 20 0 ADADLO Cc1cc(N(C)C2CCC2)nc[nH+]1 306490150 345361636 /nfs/dbraw/zinc/36/16/36/345361636.db2.gz MOEFPHHKAWDHCW-UHFFFAOYSA-N 1 2 177.251 1.774 20 0 ADADLO CCc1noc([C@@H](C)[NH+](C)C)n1 306491329 345363651 /nfs/dbraw/zinc/36/36/51/345363651.db2.gz LACVDMDMRNCOBK-ZCFIWIBFSA-N 1 2 169.228 1.255 20 0 ADADLO CCc1noc([C@H](C)[NH+](C)C)n1 306491328 345363781 /nfs/dbraw/zinc/36/37/81/345363781.db2.gz LACVDMDMRNCOBK-LURJTMIESA-N 1 2 169.228 1.255 20 0 ADADLO FC(F)C[N@@H+]1CCc2c[nH]nc2C1 306495638 345369612 /nfs/dbraw/zinc/36/96/12/345369612.db2.gz QHKLOUALXUOSDX-UHFFFAOYSA-N 1 2 187.193 1.033 20 0 ADADLO FC(F)C[N@H+]1CCc2c[nH]nc2C1 306495638 345369617 /nfs/dbraw/zinc/36/96/17/345369617.db2.gz QHKLOUALXUOSDX-UHFFFAOYSA-N 1 2 187.193 1.033 20 0 ADADLO CC1(C)CCC[N@@H+]1CC(F)(F)CN 306497160 345371095 /nfs/dbraw/zinc/37/10/95/345371095.db2.gz ZZZAVALLGHRUHP-UHFFFAOYSA-N 1 2 192.253 1.455 20 0 ADADLO CC1(C)CCC[N@H+]1CC(F)(F)CN 306497160 345371096 /nfs/dbraw/zinc/37/10/96/345371096.db2.gz ZZZAVALLGHRUHP-UHFFFAOYSA-N 1 2 192.253 1.455 20 0 ADADLO Cn1ncc(Cl)c1C[N@H+](C)C1CC1 306510996 345382658 /nfs/dbraw/zinc/38/26/58/345382658.db2.gz MAYOJVLXVDPGGC-UHFFFAOYSA-N 1 2 199.685 1.668 20 0 ADADLO Cn1ncc(Cl)c1C[N@@H+](C)C1CC1 306510996 345382661 /nfs/dbraw/zinc/38/26/61/345382661.db2.gz MAYOJVLXVDPGGC-UHFFFAOYSA-N 1 2 199.685 1.668 20 0 ADADLO C[N@H+](Cc1cscn1)C1CC1 306511489 345383342 /nfs/dbraw/zinc/38/33/42/345383342.db2.gz NDWAFYPCAOTTEY-UHFFFAOYSA-N 1 2 168.265 1.737 20 0 ADADLO C[N@@H+](Cc1cscn1)C1CC1 306511489 345383344 /nfs/dbraw/zinc/38/33/44/345383344.db2.gz NDWAFYPCAOTTEY-UHFFFAOYSA-N 1 2 168.265 1.737 20 0 ADADLO CC[C@@H](CO)Nc1cc[nH+]cc1F 306515344 345386339 /nfs/dbraw/zinc/38/63/39/345386339.db2.gz CZQOEKMVNIBRFS-ZETCQYMHSA-N 1 2 184.214 1.404 20 0 ADADLO CC[C@H](CO)Nc1cc[nH+]cc1F 306515343 345386444 /nfs/dbraw/zinc/38/64/44/345386444.db2.gz CZQOEKMVNIBRFS-SSDOTTSWSA-N 1 2 184.214 1.404 20 0 ADADLO CC(C)(C)OC(=O)[C@H]1[NH2+]CC1(C)C 306517277 345388142 /nfs/dbraw/zinc/38/81/42/345388142.db2.gz FPNMWOHVIDKJNO-SSDOTTSWSA-N 1 2 185.267 1.326 20 0 ADADLO CC[C@@H](C)[N@H+](C)CC(F)F 306523000 345394980 /nfs/dbraw/zinc/39/49/80/345394980.db2.gz MUNATLKGXOKXFS-ZCFIWIBFSA-N 1 2 151.200 1.982 20 0 ADADLO CC[C@@H](C)[N@@H+](C)CC(F)F 306523000 345394982 /nfs/dbraw/zinc/39/49/82/345394982.db2.gz MUNATLKGXOKXFS-ZCFIWIBFSA-N 1 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IADQUARQDDLDLU-UHFFFAOYSA-N 1 2 190.206 1.385 20 0 ADADLO S=c1[nH]ccn1C[N@H+]1CC=CCC1 306545584 345420118 /nfs/dbraw/zinc/42/01/18/345420118.db2.gz CTIYGXNUSONIMR-UHFFFAOYSA-N 1 2 195.291 1.391 20 0 ADADLO S=c1[nH]ccn1C[N@@H+]1CC=CCC1 306545584 345420122 /nfs/dbraw/zinc/42/01/22/345420122.db2.gz CTIYGXNUSONIMR-UHFFFAOYSA-N 1 2 195.291 1.391 20 0 ADADLO CCCC[N@H+]1CCOCC(F)(F)C1 306546570 345420819 /nfs/dbraw/zinc/42/08/19/345420819.db2.gz FBNOWXAGKZIRJN-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO CC[C@@H](O)C[N@@H+]1CCC(F)(F)C1 306554973 345430564 /nfs/dbraw/zinc/43/05/64/345430564.db2.gz KMUOUOVMXPOJOA-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO CC[C@@H](O)C[N@H+]1CCC(F)(F)C1 306554973 345430565 /nfs/dbraw/zinc/43/05/65/345430565.db2.gz KMUOUOVMXPOJOA-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO CC(C)c1nc(N2CCC2)cc[nH+]1 306565862 345442397 /nfs/dbraw/zinc/44/23/97/345442397.db2.gz YOZXTNFWCMBNFT-UHFFFAOYSA-N 1 2 177.251 1.810 20 0 ADADLO Cc1nnc(C[N@@H+](C)C2CC2)s1 306569505 345446686 /nfs/dbraw/zinc/44/66/86/345446686.db2.gz LDDNBGPRTUMXML-UHFFFAOYSA-N 1 2 183.280 1.441 20 0 ADADLO Cc1nnc(C[N@H+](C)C2CC2)s1 306569505 345446689 /nfs/dbraw/zinc/44/66/89/345446689.db2.gz LDDNBGPRTUMXML-UHFFFAOYSA-N 1 2 183.280 1.441 20 0 ADADLO CC1(C)CCC[C@H]1[NH2+]Cc1c[nH]nn1 306576825 345454039 /nfs/dbraw/zinc/45/40/39/345454039.db2.gz KTHIJQVOGNEPRW-SECBINFHSA-N 1 2 194.282 1.473 20 0 ADADLO CC1(C)CCC[C@H]1[NH2+]Cc1cn[nH]n1 306576825 345454041 /nfs/dbraw/zinc/45/40/41/345454041.db2.gz KTHIJQVOGNEPRW-SECBINFHSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@H](C)C[NH+]1CC(F)C1 306576957 345454259 /nfs/dbraw/zinc/45/42/59/345454259.db2.gz UKRWZFOIYAPJNN-ZETCQYMHSA-N 1 2 145.221 1.686 20 0 ADADLO CC1(C)CCC[C@@H]1[NH2+]Cc1c[nH]nn1 306576826 345454321 /nfs/dbraw/zinc/45/43/21/345454321.db2.gz KTHIJQVOGNEPRW-VIFPVBQESA-N 1 2 194.282 1.473 20 0 ADADLO C[C@H](O)CNc1cc[nH+]cc1F 306577521 345454634 /nfs/dbraw/zinc/45/46/34/345454634.db2.gz VHHBMCZQAOSGTE-LURJTMIESA-N 1 2 170.187 1.013 20 0 ADADLO C[C@@H](O)CNc1cc[nH+]cc1F 306577522 345454743 /nfs/dbraw/zinc/45/47/43/345454743.db2.gz VHHBMCZQAOSGTE-ZCFIWIBFSA-N 1 2 170.187 1.013 20 0 ADADLO C[C@H]1C[N@H+](Cc2cncs2)CCO1 306578806 345456466 /nfs/dbraw/zinc/45/64/66/345456466.db2.gz WLBBQNXQOIABAH-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@H]1C[N@@H+](Cc2cncs2)CCO1 306578806 345456469 /nfs/dbraw/zinc/45/64/69/345456469.db2.gz WLBBQNXQOIABAH-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO c1ccc(N2CCO[C@@H]3C[C@@H]32)[nH+]c1 306601101 345476812 /nfs/dbraw/zinc/47/68/12/345476812.db2.gz JQXHMVUPRSSGPP-DTWKUNHWSA-N 1 2 176.219 1.059 20 0 ADADLO C[N@H+](Cc1ccon1)C1CC1 306602373 345477976 /nfs/dbraw/zinc/47/79/76/345477976.db2.gz LFBOBTAKXVNGPX-UHFFFAOYSA-N 1 2 152.197 1.269 20 0 ADADLO C[N@@H+](Cc1ccon1)C1CC1 306602373 345477979 /nfs/dbraw/zinc/47/79/79/345477979.db2.gz LFBOBTAKXVNGPX-UHFFFAOYSA-N 1 2 152.197 1.269 20 0 ADADLO C[C@@H]1COCCC[N@@H+]1CC(F)F 306603431 345478995 /nfs/dbraw/zinc/47/89/95/345478995.db2.gz 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/nfs/dbraw/zinc/50/91/62/345509162.db2.gz KMELXLUWIHBUML-QMMMGPOBSA-N 1 2 161.220 1.067 20 0 ADADLO CC[C@@H](F)C[NH+]1CCOCC1 306640712 345509272 /nfs/dbraw/zinc/50/92/72/345509272.db2.gz KMELXLUWIHBUML-MRVPVSSYSA-N 1 2 161.220 1.067 20 0 ADADLO CC(C)[C@H]1CC[N@@H+]1Cc1csnn1 306646120 345514667 /nfs/dbraw/zinc/51/46/67/345514667.db2.gz BMUDHWHUCKURIS-SECBINFHSA-N 1 2 197.307 1.768 20 0 ADADLO CC(C)[C@H]1CC[N@H+]1Cc1csnn1 306646120 345514673 /nfs/dbraw/zinc/51/46/73/345514673.db2.gz BMUDHWHUCKURIS-SECBINFHSA-N 1 2 197.307 1.768 20 0 ADADLO CC(C)[C@@H]1CC[N@@H+]1Cc1csnn1 306646122 345514866 /nfs/dbraw/zinc/51/48/66/345514866.db2.gz BMUDHWHUCKURIS-VIFPVBQESA-N 1 2 197.307 1.768 20 0 ADADLO CC(C)[C@@H]1CC[N@H+]1Cc1csnn1 306646122 345514868 /nfs/dbraw/zinc/51/48/68/345514868.db2.gz BMUDHWHUCKURIS-VIFPVBQESA-N 1 2 197.307 1.768 20 0 ADADLO Cc1nc(CCn2cc[nH+]c2)cs1 306668044 345530737 /nfs/dbraw/zinc/53/07/37/345530737.db2.gz VYHPEVSKOYIMMW-UHFFFAOYSA-N 1 2 193.275 1.891 20 0 ADADLO 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CC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 306712989 345565806 /nfs/dbraw/zinc/56/58/06/345565806.db2.gz VBEWIAJUWHAWDF-RNFRBKRXSA-N 1 2 197.200 1.658 20 0 ADADLO CC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 306712989 345565809 /nfs/dbraw/zinc/56/58/09/345565809.db2.gz VBEWIAJUWHAWDF-RNFRBKRXSA-N 1 2 197.200 1.658 20 0 ADADLO C[C@@]1(F)CC[N@H+](Cc2cc[nH]n2)C1 306727480 345577179 /nfs/dbraw/zinc/57/71/79/345577179.db2.gz BLXLMKTWHYOWSH-SECBINFHSA-N 1 2 183.230 1.344 20 0 ADADLO C[C@@]1(F)CC[N@@H+](Cc2cc[nH]n2)C1 306727480 345577181 /nfs/dbraw/zinc/57/71/81/345577181.db2.gz BLXLMKTWHYOWSH-SECBINFHSA-N 1 2 183.230 1.344 20 0 ADADLO C[C@]1(F)CC[N@H+](Cc2cc[nH]n2)C1 306727483 345577368 /nfs/dbraw/zinc/57/73/68/345577368.db2.gz BLXLMKTWHYOWSH-VIFPVBQESA-N 1 2 183.230 1.344 20 0 ADADLO C[C@]1(F)CC[N@@H+](Cc2cc[nH]n2)C1 306727483 345577372 /nfs/dbraw/zinc/57/73/72/345577372.db2.gz BLXLMKTWHYOWSH-VIFPVBQESA-N 1 2 183.230 1.344 20 0 ADADLO Cc1nc(NCC(C)(F)F)cc[nH+]1 306761492 345597226 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/nfs/dbraw/zinc/61/58/71/345615871.db2.gz PRKGMCBGHAACHQ-QMMMGPOBSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccn[nH]1 306793088 345619069 /nfs/dbraw/zinc/61/90/69/345619069.db2.gz APKCKQVXRFPHPV-CBAPKCEASA-N 1 2 197.307 1.251 20 0 ADADLO C[C@H]1CSC[C@H]1[NH2+]Cc1ccn[nH]1 306793092 345619190 /nfs/dbraw/zinc/61/91/90/345619190.db2.gz APKCKQVXRFPHPV-IONNQARKSA-N 1 2 197.307 1.251 20 0 ADADLO CCC1(O)CC[NH+](CC(F)F)CC1 306803762 345624943 /nfs/dbraw/zinc/62/49/43/345624943.db2.gz WGCIXVHAOOIUOL-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@H]2C)o1 306829767 345643119 /nfs/dbraw/zinc/64/31/19/345643119.db2.gz KGRJMLGXLSFTIQ-RNFRBKRXSA-N 1 2 181.239 1.218 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H]2C)o1 306829767 345643121 /nfs/dbraw/zinc/64/31/21/345643121.db2.gz KGRJMLGXLSFTIQ-RNFRBKRXSA-N 1 2 181.239 1.218 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H]2C)o1 306829768 345643234 /nfs/dbraw/zinc/64/32/34/345643234.db2.gz KGRJMLGXLSFTIQ-RQJHMYQMSA-N 1 2 181.239 1.218 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)o1 306829768 345643236 /nfs/dbraw/zinc/64/32/36/345643236.db2.gz KGRJMLGXLSFTIQ-RQJHMYQMSA-N 1 2 181.239 1.218 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@@H]2C)o1 306829765 345643286 /nfs/dbraw/zinc/64/32/86/345643286.db2.gz KGRJMLGXLSFTIQ-BQBZGAKWSA-N 1 2 181.239 1.218 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@@H]2C)o1 306829765 345643289 /nfs/dbraw/zinc/64/32/89/345643289.db2.gz KGRJMLGXLSFTIQ-BQBZGAKWSA-N 1 2 181.239 1.218 20 0 ADADLO CC1(C)CN(c2cccc[nH+]2)C[C@@H]1O 306835658 345647100 /nfs/dbraw/zinc/64/71/00/345647100.db2.gz STNWQPASPXFPHX-VIFPVBQESA-N 1 2 192.262 1.289 20 0 ADADLO CCC(=O)NCc1c[nH+]c(C)cc1C 306893242 345688689 /nfs/dbraw/zinc/68/86/89/345688689.db2.gz XXMINDRADULSFI-UHFFFAOYSA-N 1 2 192.262 1.725 20 0 ADADLO CNC(=O)NCc1c[nH+]c(C)cc1C 306895228 345689090 /nfs/dbraw/zinc/68/90/90/345689090.db2.gz MBRUTTJWNWKHCR-UHFFFAOYSA-N 1 2 193.250 1.127 20 0 ADADLO CC(=O)NCc1c[nH+]c(C)cc1C 306905866 345693622 /nfs/dbraw/zinc/69/36/22/345693622.db2.gz LTOMCBXOXZQVCU-UHFFFAOYSA-N 1 2 178.235 1.335 20 0 ADADLO CC1(C)C[N@H+](CC(F)F)CC[C@H]1O 306924878 345701467 /nfs/dbraw/zinc/70/14/67/345701467.db2.gz KSPCSLKPPVOWSO-SSDOTTSWSA-N 1 2 193.237 1.344 20 0 ADADLO CC1(C)C[N@@H+](CC(F)F)CC[C@H]1O 306924878 345701469 /nfs/dbraw/zinc/70/14/69/345701469.db2.gz KSPCSLKPPVOWSO-SSDOTTSWSA-N 1 2 193.237 1.344 20 0 ADADLO CC1(C)C[N@H+](CC(F)F)CC[C@@H]1O 306924879 345701515 /nfs/dbraw/zinc/70/15/15/345701515.db2.gz KSPCSLKPPVOWSO-ZETCQYMHSA-N 1 2 193.237 1.344 20 0 ADADLO CC1(C)C[N@@H+](CC(F)F)CC[C@@H]1O 306924879 345701519 /nfs/dbraw/zinc/70/15/19/345701519.db2.gz KSPCSLKPPVOWSO-ZETCQYMHSA-N 1 2 193.237 1.344 20 0 ADADLO CCCc1[nH+]cc(C)cc1N 306946322 345712745 /nfs/dbraw/zinc/71/27/45/345712745.db2.gz LDJLCQJPIZWWJH-UHFFFAOYSA-N 1 2 150.225 1.925 20 0 ADADLO Cc1[nH]c(C(=O)NC2(C)CC2)c[nH+]1 306977216 345730119 /nfs/dbraw/zinc/73/01/19/345730119.db2.gz ALBSZHXPHRYSBP-UHFFFAOYSA-N 1 2 179.223 1.000 20 0 ADADLO CNC(=S)Nc1c[nH+]ccc1OC 306979047 345731209 /nfs/dbraw/zinc/73/12/09/345731209.db2.gz BLGSCSFKYATTOO-UHFFFAOYSA-N 1 2 197.263 1.006 20 0 ADADLO CNC(=O)Nc1c(C)cc[nH+]c1C 306990808 345738378 /nfs/dbraw/zinc/73/83/78/345738378.db2.gz UINUMUBCWLBJEA-UHFFFAOYSA-N 1 2 179.223 1.450 20 0 ADADLO Cc1ncsc1Cn1cc[nH+]c1 307072207 345793554 /nfs/dbraw/zinc/79/35/54/345793554.db2.gz YFANGEQBQNCQDP-UHFFFAOYSA-N 1 2 179.248 1.696 20 0 ADADLO Cc1cc(N2CC(C)(C)C2)nc[nH+]1 307084742 345800786 /nfs/dbraw/zinc/80/07/86/345800786.db2.gz LQUUUEZVJAAGTD-UHFFFAOYSA-N 1 2 177.251 1.631 20 0 ADADLO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(F)F 307085234 345801131 /nfs/dbraw/zinc/80/11/31/345801131.db2.gz MBUAEEJKAOJRGY-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)[C@H]1CCCC[N@H+]1CC(F)F 307085234 345801133 /nfs/dbraw/zinc/80/11/33/345801133.db2.gz MBUAEEJKAOJRGY-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(F)F 307085232 345801352 /nfs/dbraw/zinc/80/13/52/345801352.db2.gz MBUAEEJKAOJRGY-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(F)F 307085232 345801354 /nfs/dbraw/zinc/80/13/54/345801354.db2.gz MBUAEEJKAOJRGY-HTQZYQBOSA-N 1 2 193.237 1.487 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCOC[C@H]1C 307099586 345809640 /nfs/dbraw/zinc/80/96/40/345809640.db2.gz FZQGSMJRNOWHOV-RKDXNWHRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCOC[C@H]1C 307099586 345809642 /nfs/dbraw/zinc/80/96/42/345809642.db2.gz FZQGSMJRNOWHOV-RKDXNWHRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1C 307099585 345809656 /nfs/dbraw/zinc/80/96/56/345809656.db2.gz FZQGSMJRNOWHOV-BDAKNGLRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1C 307099585 345809657 /nfs/dbraw/zinc/80/96/57/345809657.db2.gz FZQGSMJRNOWHOV-BDAKNGLRSA-N 1 2 175.247 1.455 20 0 ADADLO Cc1cc(N2CC[C@@H]2C)nc[nH+]1 307113043 345816931 /nfs/dbraw/zinc/81/69/31/345816931.db2.gz MOKGKANYXXPFTC-QMMMGPOBSA-N 1 2 163.224 1.384 20 0 ADADLO Cc1cc(N2CC[C@H]2C)nc[nH+]1 307113042 345817066 /nfs/dbraw/zinc/81/70/66/345817066.db2.gz MOKGKANYXXPFTC-MRVPVSSYSA-N 1 2 163.224 1.384 20 0 ADADLO C[C@H](O)CC[N@@H+]1CCC(F)(F)C1 307120998 345820955 /nfs/dbraw/zinc/82/09/55/345820955.db2.gz ILIPWKLQBVGMGN-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@H](O)CC[N@H+]1CCC(F)(F)C1 307120998 345820957 /nfs/dbraw/zinc/82/09/57/345820957.db2.gz ILIPWKLQBVGMGN-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@H]1CCC[C@H]1F 307123310 345822881 /nfs/dbraw/zinc/82/28/81/345822881.db2.gz XEGVXMCHAOGDNL-ZJUUUORDSA-N 1 2 197.257 1.698 20 0 ADADLO CCc1nnc(Cn2cc[nH+]c2)s1 307137822 345831844 /nfs/dbraw/zinc/83/18/44/345831844.db2.gz YCJSHCDIVPAAOR-UHFFFAOYSA-N 1 2 194.263 1.345 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCO[C@H](C)C1 307145012 345838203 /nfs/dbraw/zinc/83/82/03/345838203.db2.gz ANNKLSDJBAOMOB-BDAKNGLRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H](F)C[N@H+]1CCO[C@H](C)C1 307145012 345838204 /nfs/dbraw/zinc/83/82/04/345838204.db2.gz ANNKLSDJBAOMOB-BDAKNGLRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](C)C1 307145013 345838270 /nfs/dbraw/zinc/83/82/70/345838270.db2.gz ANNKLSDJBAOMOB-RKDXNWHRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCO[C@H](C)C1 307145013 345838271 /nfs/dbraw/zinc/83/82/71/345838271.db2.gz ANNKLSDJBAOMOB-RKDXNWHRSA-N 1 2 175.247 1.455 20 0 ADADLO FC(F)C[NH+]1C2CCC1CC2 307145824 345839024 /nfs/dbraw/zinc/83/90/24/345839024.db2.gz MSUPDOSPVSLTIT-UHFFFAOYSA-N 1 2 161.195 1.878 20 0 ADADLO CC(=O)C[N@@H+]1CCOCC12CCCC2 307166601 345858324 /nfs/dbraw/zinc/85/83/24/345858324.db2.gz PJCSBVJMPSKUJX-UHFFFAOYSA-N 1 2 197.278 1.220 20 0 ADADLO CC(=O)C[N@H+]1CCOCC12CCCC2 307166601 345858327 /nfs/dbraw/zinc/85/83/27/345858327.db2.gz PJCSBVJMPSKUJX-UHFFFAOYSA-N 1 2 197.278 1.220 20 0 ADADLO CC(C)(O)CCNc1cccc[nH+]1 307169079 345861601 /nfs/dbraw/zinc/86/16/01/345861601.db2.gz WYQVTPSGHUAXTJ-UHFFFAOYSA-N 1 2 180.251 1.655 20 0 ADADLO CC(=O)c1nc(-n2cc[nH+]c2)cs1 307170633 345863422 /nfs/dbraw/zinc/86/34/22/345863422.db2.gz NTESGALKFXQHLG-UHFFFAOYSA-N 1 2 193.231 1.531 20 0 ADADLO C[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F 307177934 345868112 /nfs/dbraw/zinc/86/81/12/345868112.db2.gz IRQGDJHUAARGTM-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F 307177934 345868114 /nfs/dbraw/zinc/86/81/14/345868114.db2.gz IRQGDJHUAARGTM-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO Cc1cc(NCc2c[nH+]cn2C)no1 307186644 345874238 /nfs/dbraw/zinc/87/42/38/345874238.db2.gz UTAIRFGUPYLBKW-UHFFFAOYSA-N 1 2 192.222 1.329 20 0 ADADLO Cc1cc(NC2CC(F)(F)C2)nc[nH+]1 307191592 345877224 /nfs/dbraw/zinc/87/72/24/345877224.db2.gz KPGMLBYBVRGJIV-UHFFFAOYSA-N 1 2 199.204 1.995 20 0 ADADLO C[C@H]1CSCC[N@@H+]1Cc1ccon1 307194919 345880787 /nfs/dbraw/zinc/88/07/87/345880787.db2.gz QLQZQKQJXHKDAQ-QMMMGPOBSA-N 1 2 198.291 1.612 20 0 ADADLO C[C@H]1CSCC[N@H+]1Cc1ccon1 307194919 345880789 /nfs/dbraw/zinc/88/07/89/345880789.db2.gz QLQZQKQJXHKDAQ-QMMMGPOBSA-N 1 2 198.291 1.612 20 0 ADADLO C[N@H+](Cc1cscn1)C1CC(O)C1 307199608 345884917 /nfs/dbraw/zinc/88/49/17/345884917.db2.gz CMNNHHGWXKJAHL-UHFFFAOYSA-N 1 2 198.291 1.098 20 0 ADADLO C[N@@H+](Cc1cscn1)C1CC(O)C1 307199608 345884921 /nfs/dbraw/zinc/88/49/21/345884921.db2.gz CMNNHHGWXKJAHL-UHFFFAOYSA-N 1 2 198.291 1.098 20 0 ADADLO CC1(C)CC[C@@H]1[NH2+][C@H]1CCOC1=O 307201214 345886142 /nfs/dbraw/zinc/88/61/42/345886142.db2.gz ZXLXYKGYNBLCGR-YUMQZZPRSA-N 1 2 183.251 1.080 20 0 ADADLO Cc1cc(N[C@H]2C[C@@H]2C(F)F)nc[nH+]1 307235615 345912088 /nfs/dbraw/zinc/91/20/88/345912088.db2.gz MYYQYPQOHHINLB-BQBZGAKWSA-N 1 2 199.204 1.851 20 0 ADADLO c1n[nH]c(C[NH2+][C@H]2CCC[C@@H]3C[C@H]23)n1 307244901 345918832 /nfs/dbraw/zinc/91/88/32/345918832.db2.gz LUBFRHALBHRQFW-VGMNWLOBSA-N 1 2 192.266 1.083 20 0 ADADLO CCn1ncnc1C[NH+]1CCCCC1 307250420 345922503 /nfs/dbraw/zinc/92/25/03/345922503.db2.gz LXWOSGHOLRRCOX-UHFFFAOYSA-N 1 2 194.282 1.284 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1C 307258928 345929654 /nfs/dbraw/zinc/92/96/54/345929654.db2.gz FZQGSMJRNOWHOV-IUCAKERBSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1C 307258928 345929656 /nfs/dbraw/zinc/92/96/56/345929656.db2.gz FZQGSMJRNOWHOV-IUCAKERBSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCOC[C@@H]1C 307258927 345929920 /nfs/dbraw/zinc/92/99/20/345929920.db2.gz FZQGSMJRNOWHOV-DTWKUNHWSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCOC[C@@H]1C 307258927 345929923 /nfs/dbraw/zinc/92/99/23/345929923.db2.gz FZQGSMJRNOWHOV-DTWKUNHWSA-N 1 2 175.247 1.455 20 0 ADADLO Cc1nc(N(C)C2CC2)cc[nH+]1 307288601 345949169 /nfs/dbraw/zinc/94/91/69/345949169.db2.gz XFNOHEVAWCZYHE-UHFFFAOYSA-N 1 2 163.224 1.384 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](C)C1 307288012 345949259 /nfs/dbraw/zinc/94/92/59/345949259.db2.gz ANNKLSDJBAOMOB-DTWKUNHWSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](C)C1 307288012 345949262 /nfs/dbraw/zinc/94/92/62/345949262.db2.gz ANNKLSDJBAOMOB-DTWKUNHWSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](C)C1 307288013 345949394 /nfs/dbraw/zinc/94/93/94/345949394.db2.gz ANNKLSDJBAOMOB-IUCAKERBSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H](F)C[N@H+]1CCO[C@@H](C)C1 307288013 345949397 /nfs/dbraw/zinc/94/93/97/345949397.db2.gz ANNKLSDJBAOMOB-IUCAKERBSA-N 1 2 175.247 1.455 20 0 ADADLO CCC[N@H+]1CCOCC(F)(F)C1 307339058 345981362 /nfs/dbraw/zinc/98/13/62/345981362.db2.gz VXNVBCVMHQLYMP-UHFFFAOYSA-N 1 2 179.210 1.364 20 0 ADADLO CC1(C)C[C@@H]([NH2+]CC(F)F)CO1 307384304 346008018 /nfs/dbraw/zinc/00/80/18/346008018.db2.gz FZNHGDXDVIYFDL-ZCFIWIBFSA-N 1 2 179.210 1.409 20 0 ADADLO CCC[N@@H+]1CCOCC(F)(F)C1 307339058 345981361 /nfs/dbraw/zinc/98/13/61/345981361.db2.gz VXNVBCVMHQLYMP-UHFFFAOYSA-N 1 2 179.210 1.364 20 0 ADADLO Cc1cnc(Cn2cc[nH+]c2)s1 307371192 346000842 /nfs/dbraw/zinc/00/08/42/346000842.db2.gz PPWWCSIEVDHHNQ-UHFFFAOYSA-N 1 2 179.248 1.696 20 0 ADADLO Cc1nc([C@@H](C)[NH+]2CCCC2)no1 307378859 346004863 /nfs/dbraw/zinc/00/48/63/346004863.db2.gz CYIXIHABJMFZCO-SSDOTTSWSA-N 1 2 181.239 1.535 20 0 ADADLO Cc1nc([C@H](C)[NH+]2CCCC2)no1 307378862 346004885 /nfs/dbraw/zinc/00/48/85/346004885.db2.gz CYIXIHABJMFZCO-ZETCQYMHSA-N 1 2 181.239 1.535 20 0 ADADLO CC1(C)C[C@H]([NH2+]CC(F)F)CO1 307384303 346008111 /nfs/dbraw/zinc/00/81/11/346008111.db2.gz FZNHGDXDVIYFDL-LURJTMIESA-N 1 2 179.210 1.409 20 0 ADADLO Cc1nc(NCc2cocn2)cc[nH+]1 307404098 346021573 /nfs/dbraw/zinc/02/15/73/346021573.db2.gz BEXXFBBWPYLQBV-UHFFFAOYSA-N 1 2 190.206 1.385 20 0 ADADLO C[C@H]1COCC[N@H+]1Cc1ccco1 307408994 346025542 /nfs/dbraw/zinc/02/55/42/346025542.db2.gz FYSHEEVXPUGNDG-VIFPVBQESA-N 1 2 181.235 1.500 20 0 ADADLO C[C@H]1COCC[N@@H+]1Cc1ccco1 307408994 346025541 /nfs/dbraw/zinc/02/55/41/346025541.db2.gz FYSHEEVXPUGNDG-VIFPVBQESA-N 1 2 181.235 1.500 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@@H+]1CC(F)(F)CN 307414678 346028530 /nfs/dbraw/zinc/02/85/30/346028530.db2.gz WPBJBMGDJUNYMN-SFYZADRCSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1C[C@@H](C)[N@H+](CC(F)(F)CN)C1 307414677 346028538 /nfs/dbraw/zinc/02/85/38/346028538.db2.gz WPBJBMGDJUNYMN-JGVFFNPUSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1C[C@@H](C)[N@@H+](CC(F)(F)CN)C1 307414677 346028540 /nfs/dbraw/zinc/02/85/40/346028540.db2.gz WPBJBMGDJUNYMN-JGVFFNPUSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1C[C@H](C)[N@H+](CC(F)(F)CN)C1 307414679 346028585 /nfs/dbraw/zinc/02/85/85/346028585.db2.gz WPBJBMGDJUNYMN-YUMQZZPRSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@H]1C[C@H](C)[N@@H+](CC(F)(F)CN)C1 307414679 346028588 /nfs/dbraw/zinc/02/85/88/346028588.db2.gz WPBJBMGDJUNYMN-YUMQZZPRSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@@H]1C[C@@H](C)[N@H+](CC(F)(F)CN)C1 307414676 346028718 /nfs/dbraw/zinc/02/87/18/346028718.db2.gz WPBJBMGDJUNYMN-HTQZYQBOSA-N 1 2 192.253 1.311 20 0 ADADLO C[C@@H]1C[C@@H](C)[N@@H+](CC(F)(F)CN)C1 307414676 346028721 /nfs/dbraw/zinc/02/87/21/346028721.db2.gz WPBJBMGDJUNYMN-HTQZYQBOSA-N 1 2 192.253 1.311 20 0 ADADLO Cc1cc(N2CC[C@@H](C)C2)nc[nH+]1 307437089 346039629 /nfs/dbraw/zinc/03/96/29/346039629.db2.gz UKNZCJCYTQGTIV-MRVPVSSYSA-N 1 2 177.251 1.631 20 0 ADADLO Cc1cc(N2CC[C@H](C)C2)nc[nH+]1 307437090 346039834 /nfs/dbraw/zinc/03/98/34/346039834.db2.gz UKNZCJCYTQGTIV-QMMMGPOBSA-N 1 2 177.251 1.631 20 0 ADADLO Clc1ncccc1C[NH+]1CCC1 307445756 346044914 /nfs/dbraw/zinc/04/49/14/346044914.db2.gz VUQAAQUFEOPHBH-UHFFFAOYSA-N 1 2 182.654 1.941 20 0 ADADLO Cc1nc(NC2CC(F)(F)C2)cc[nH+]1 307459410 346053437 /nfs/dbraw/zinc/05/34/37/346053437.db2.gz FGNUFDZTKZOIMA-UHFFFAOYSA-N 1 2 199.204 1.995 20 0 ADADLO C[C@H]1COCC[N@@H+]1Cc1ccsc1 307464327 346056424 /nfs/dbraw/zinc/05/64/24/346056424.db2.gz IROLXDRTRPFYQW-VIFPVBQESA-N 1 2 197.303 1.969 20 0 ADADLO C[C@H]1COCC[N@H+]1Cc1ccsc1 307464327 346056426 /nfs/dbraw/zinc/05/64/26/346056426.db2.gz IROLXDRTRPFYQW-VIFPVBQESA-N 1 2 197.303 1.969 20 0 ADADLO C[C@H]1CSCC[N@@H+]1Cc1cc[nH]n1 307471885 346060459 /nfs/dbraw/zinc/06/04/59/346060459.db2.gz PZPBZTFAPWRTJD-QMMMGPOBSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@H]1CSCC[N@H+]1Cc1cc[nH]n1 307471885 346060461 /nfs/dbraw/zinc/06/04/61/346060461.db2.gz PZPBZTFAPWRTJD-QMMMGPOBSA-N 1 2 197.307 1.347 20 0 ADADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)C 307518467 346087795 /nfs/dbraw/zinc/08/77/95/346087795.db2.gz VEXGTBBVYAQWQL-UHFFFAOYSA-N 1 2 195.266 1.380 20 0 ADADLO C[C@H]1C[C@H]1C[NH+]1CC(F)C1 307520252 346088836 /nfs/dbraw/zinc/08/88/36/346088836.db2.gz XMPWFSGUOJWQFX-BQBZGAKWSA-N 1 2 143.205 1.296 20 0 ADADLO C[C@H]1C[C@@H]1C[NH+]1CC(F)C1 307520253 346088892 /nfs/dbraw/zinc/08/88/92/346088892.db2.gz XMPWFSGUOJWQFX-NKWVEPMBSA-N 1 2 143.205 1.296 20 0 ADADLO CCCc1[nH+]c(C)ccc1N 307520100 346089015 /nfs/dbraw/zinc/08/90/15/346089015.db2.gz PLIBVNHIITWTHE-UHFFFAOYSA-N 1 2 150.225 1.925 20 0 ADADLO O[C@H]1CCC[C@@H]1Nc1cccc[nH+]1 307532223 346095447 /nfs/dbraw/zinc/09/54/47/346095447.db2.gz YVFQGVBSABPKID-IUCAKERBSA-N 1 2 178.235 1.407 20 0 ADADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CC1 307539800 346100146 /nfs/dbraw/zinc/10/01/46/346100146.db2.gz VFFBYOHKCGWWRZ-UHFFFAOYSA-N 1 2 193.250 1.134 20 0 ADADLO Cc1cnccc1CCn1cc[nH+]c1 307541131 346101309 /nfs/dbraw/zinc/10/13/09/346101309.db2.gz NVBBFIYPSFQBAX-UHFFFAOYSA-N 1 2 187.246 1.829 20 0 ADADLO CC1(C)C[N@H+](CC(F)F)CCCO1 307555526 346110058 /nfs/dbraw/zinc/11/00/58/346110058.db2.gz TUQXTYNVXZJUBY-UHFFFAOYSA-N 1 2 193.237 1.752 20 0 ADADLO CC1(C)C[N@@H+](CC(F)F)CCCO1 307555526 346110061 /nfs/dbraw/zinc/11/00/61/346110061.db2.gz TUQXTYNVXZJUBY-UHFFFAOYSA-N 1 2 193.237 1.752 20 0 ADADLO C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH]nn1 307558488 346112191 /nfs/dbraw/zinc/11/21/91/346112191.db2.gz WAQLNBULAURMJK-WCBMZHEXSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@H]1CCCC[C@H]1[NH2+]Cc1cn[nH]n1 307558488 346112194 /nfs/dbraw/zinc/11/21/94/346112194.db2.gz WAQLNBULAURMJK-WCBMZHEXSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]nn1 307558489 346112200 /nfs/dbraw/zinc/11/22/00/346112200.db2.gz WAQLNBULAURMJK-WPRPVWTQSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn[nH]n1 307558489 346112202 /nfs/dbraw/zinc/11/22/02/346112202.db2.gz WAQLNBULAURMJK-WPRPVWTQSA-N 1 2 194.282 1.473 20 0 ADADLO Cc1[nH]c(C(=O)NC2CCC2)c[nH+]1 307605112 346142358 /nfs/dbraw/zinc/14/23/58/346142358.db2.gz XSKXAPUSJRYZNA-UHFFFAOYSA-N 1 2 179.223 1.000 20 0 ADADLO Cc1nc(C[NH+]2CCCCCC2)no1 307617713 346150217 /nfs/dbraw/zinc/15/02/17/346150217.db2.gz XFTNRSJBXOKHKB-UHFFFAOYSA-N 1 2 195.266 1.754 20 0 ADADLO Cc1cc(NCCO)nc(C2CC2)[nH+]1 307637077 346161713 /nfs/dbraw/zinc/16/17/13/346161713.db2.gz XYHAKALKGURDGA-UHFFFAOYSA-N 1 2 193.250 1.067 20 0 ADADLO C[C@H]1C[C@H](O)CN1c1cccc[nH+]1 307667852 346173296 /nfs/dbraw/zinc/17/32/96/346173296.db2.gz PKSYZFFYYCHBOI-IUCAKERBSA-N 1 2 178.235 1.041 20 0 ADADLO C[C@H]1C[C@@H](O)CN1c1cccc[nH+]1 307667851 346173445 /nfs/dbraw/zinc/17/34/45/346173445.db2.gz PKSYZFFYYCHBOI-DTWKUNHWSA-N 1 2 178.235 1.041 20 0 ADADLO CC[C@H]1CC[N@@H+]1CC(F)F 307682400 346180432 /nfs/dbraw/zinc/18/04/32/346180432.db2.gz RMASYIWNRZSXRS-LURJTMIESA-N 1 2 149.184 1.736 20 0 ADADLO CC[C@H]1CC[N@H+]1CC(F)F 307682400 346180433 /nfs/dbraw/zinc/18/04/33/346180433.db2.gz RMASYIWNRZSXRS-LURJTMIESA-N 1 2 149.184 1.736 20 0 ADADLO C[C@]1(CNc2cccc[nH+]2)CCOC1 307676477 346177261 /nfs/dbraw/zinc/17/72/61/346177261.db2.gz HLMCWFUZHRGUHD-LLVKDONJSA-N 1 2 192.262 1.920 20 0 ADADLO C[C@@]1(CNc2cccc[nH+]2)CCOC1 307676478 346177341 /nfs/dbraw/zinc/17/73/41/346177341.db2.gz HLMCWFUZHRGUHD-NSHDSACASA-N 1 2 192.262 1.920 20 0 ADADLO CC[C@@H]1CC[N@@H+]1CC(F)F 307682401 346180237 /nfs/dbraw/zinc/18/02/37/346180237.db2.gz RMASYIWNRZSXRS-ZCFIWIBFSA-N 1 2 149.184 1.736 20 0 ADADLO CC[C@@H]1CC[N@H+]1CC(F)F 307682401 346180239 /nfs/dbraw/zinc/18/02/39/346180239.db2.gz RMASYIWNRZSXRS-ZCFIWIBFSA-N 1 2 149.184 1.736 20 0 ADADLO CC[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1O 307681711 346180293 /nfs/dbraw/zinc/18/02/93/346180293.db2.gz YKHDYJCLPCHSOP-ZJUUUORDSA-N 1 2 192.262 1.289 20 0 ADADLO CC[C@H]1CN(c2cccc[nH+]2)C[C@@H]1O 307681709 346180314 /nfs/dbraw/zinc/18/03/14/346180314.db2.gz YKHDYJCLPCHSOP-UWVGGRQHSA-N 1 2 192.262 1.289 20 0 ADADLO CC[C@H]1CN(c2cccc[nH+]2)C[C@H]1O 307681710 346180390 /nfs/dbraw/zinc/18/03/90/346180390.db2.gz YKHDYJCLPCHSOP-VHSXEESVSA-N 1 2 192.262 1.289 20 0 ADADLO CC[C@@H]1CN(c2cccc[nH+]2)C[C@H]1O 307681708 346180489 /nfs/dbraw/zinc/18/04/89/346180489.db2.gz YKHDYJCLPCHSOP-NXEZZACHSA-N 1 2 192.262 1.289 20 0 ADADLO Cc1nc(N[C@H](C)CF)cc[nH+]1 307685717 346182680 /nfs/dbraw/zinc/18/26/80/346182680.db2.gz ZPZPHGRNPRFEHT-ZCFIWIBFSA-N 1 2 169.203 1.555 20 0 ADADLO CCC(=O)Nc1cc[nH+]cc1O 307689159 346184871 /nfs/dbraw/zinc/18/48/71/346184871.db2.gz GJRIHFYIKMBNOS-UHFFFAOYSA-N 1 2 166.180 1.136 20 0 ADADLO CC[C@@H](F)Cn1cc[nH+]c1 307692429 346187120 /nfs/dbraw/zinc/18/71/20/346187120.db2.gz RNMQARPIRYJPGE-SSDOTTSWSA-N 1 2 142.177 1.631 20 0 ADADLO CC[C@H](F)Cn1cc[nH+]c1 307692433 346187243 /nfs/dbraw/zinc/18/72/43/346187243.db2.gz RNMQARPIRYJPGE-ZETCQYMHSA-N 1 2 142.177 1.631 20 0 ADADLO C[C@@H](CO)Nc1cc[nH+]cc1F 307693259 346187547 /nfs/dbraw/zinc/18/75/47/346187547.db2.gz SYMNNLRPIFXLQJ-LURJTMIESA-N 1 2 170.187 1.013 20 0 ADADLO C[C@H](CO)Nc1cc[nH+]cc1F 307693260 346187609 /nfs/dbraw/zinc/18/76/09/346187609.db2.gz SYMNNLRPIFXLQJ-ZCFIWIBFSA-N 1 2 170.187 1.013 20 0 ADADLO C[C@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F 307702933 346193094 /nfs/dbraw/zinc/19/30/94/346193094.db2.gz QCXGAGDNGOOCHB-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)C[N@H+]1CCCC[C@@H]1C(F)F 307702933 346193097 /nfs/dbraw/zinc/19/30/97/346193097.db2.gz QCXGAGDNGOOCHB-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)C[N@@H+]1CCCC[C@H]1C(F)F 307702935 346193125 /nfs/dbraw/zinc/19/31/25/346193125.db2.gz QCXGAGDNGOOCHB-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO C[C@H](O)C[N@H+]1CCCC[C@H]1C(F)F 307702935 346193128 /nfs/dbraw/zinc/19/31/28/346193128.db2.gz QCXGAGDNGOOCHB-YUMQZZPRSA-N 1 2 193.237 1.487 20 0 ADADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]1F 307704774 346193925 /nfs/dbraw/zinc/19/39/25/346193925.db2.gz XEGVXMCHAOGDNL-VHSXEESVSA-N 1 2 197.257 1.698 20 0 ADADLO CCC(=O)Nc1cc[nH+]cc1CC 307708825 346195830 /nfs/dbraw/zinc/19/58/30/346195830.db2.gz KJXQXNKYGRRIIU-UHFFFAOYSA-N 1 2 178.235 1.993 20 0 ADADLO Cc1[nH]ncc1C[NH+]1CCCCC1 307722220 346203281 /nfs/dbraw/zinc/20/32/81/346203281.db2.gz RXELISQOAPVNCS-UHFFFAOYSA-N 1 2 179.267 1.704 20 0 ADADLO CCc1c[nH+]ccc1NC(C)=O 307726046 346204997 /nfs/dbraw/zinc/20/49/97/346204997.db2.gz COQXLROHECJQFE-UHFFFAOYSA-N 1 2 164.208 1.602 20 0 ADADLO Cc1cc(N(C)CC(C)C)nc[nH+]1 307726758 346205714 /nfs/dbraw/zinc/20/57/14/346205714.db2.gz CNNJDTSAASKPSG-UHFFFAOYSA-N 1 2 179.267 1.877 20 0 ADADLO Cc1[nH]ncc1C[N@@H+](C)C(C)C 307731366 346208023 /nfs/dbraw/zinc/20/80/23/346208023.db2.gz JXOYYEBQFBJBJI-UHFFFAOYSA-N 1 2 167.256 1.558 20 0 ADADLO Cc1[nH]ncc1C[N@H+](C)C(C)C 307731366 346208025 /nfs/dbraw/zinc/20/80/25/346208025.db2.gz JXOYYEBQFBJBJI-UHFFFAOYSA-N 1 2 167.256 1.558 20 0 ADADLO C[N@H+](CC(F)F)CC1CCC1 307731708 346208826 /nfs/dbraw/zinc/20/88/26/346208826.db2.gz NMFLZUMZDOGGIV-UHFFFAOYSA-N 1 2 163.211 1.983 20 0 ADADLO C[N@@H+](CC(F)F)CC1CCC1 307731708 346208828 /nfs/dbraw/zinc/20/88/28/346208828.db2.gz NMFLZUMZDOGGIV-UHFFFAOYSA-N 1 2 163.211 1.983 20 0 ADADLO CC1(C)[C@H]2C[N@H+](CC(F)F)C[C@H]21 307760346 346226960 /nfs/dbraw/zinc/22/69/60/346226960.db2.gz VNNBJFLIXNLKHG-KNVOCYPGSA-N 1 2 175.222 1.839 20 0 ADADLO CC1(C)[C@H]2C[N@@H+](CC(F)F)C[C@H]21 307760346 346226962 /nfs/dbraw/zinc/22/69/62/346226962.db2.gz VNNBJFLIXNLKHG-KNVOCYPGSA-N 1 2 175.222 1.839 20 0 ADADLO Cc1cc(NC(N)=O)c(C)c[nH+]1 307760698 346227887 /nfs/dbraw/zinc/22/78/87/346227887.db2.gz WOVSJZGLKBRDSZ-UHFFFAOYSA-N 1 2 165.196 1.189 20 0 ADADLO CSCCCOCc1[nH]cc[nH+]1 307939803 346237895 /nfs/dbraw/zinc/23/78/95/346237895.db2.gz VRTKZHRMUFKMRR-UHFFFAOYSA-N 1 2 186.280 1.679 20 0 ADADLO CCSCCOCc1[nH]cc[nH+]1 308000968 346249399 /nfs/dbraw/zinc/24/93/99/346249399.db2.gz ZKSOELVXLPVLLC-UHFFFAOYSA-N 1 2 186.280 1.679 20 0 ADADLO COC[C@@H]1CC[N@@H+](CC(F)F)C1 308068631 346253404 /nfs/dbraw/zinc/25/34/04/346253404.db2.gz ABODUBUGIZLDIB-SSDOTTSWSA-N 1 2 179.210 1.220 20 0 ADADLO COC[C@H]1CC[N@H+](CC(F)F)C1 308068635 346253366 /nfs/dbraw/zinc/25/33/66/346253366.db2.gz ABODUBUGIZLDIB-ZETCQYMHSA-N 1 2 179.210 1.220 20 0 ADADLO COC[C@H]1CC[N@@H+](CC(F)F)C1 308068635 346253367 /nfs/dbraw/zinc/25/33/67/346253367.db2.gz ABODUBUGIZLDIB-ZETCQYMHSA-N 1 2 179.210 1.220 20 0 ADADLO COC[C@@H]1CC[N@H+](CC(F)F)C1 308068631 346253401 /nfs/dbraw/zinc/25/34/01/346253401.db2.gz ABODUBUGIZLDIB-SSDOTTSWSA-N 1 2 179.210 1.220 20 0 ADADLO CSCC[N@H+](C)Cc1cnc[nH]1 308070533 346253644 /nfs/dbraw/zinc/25/36/44/346253644.db2.gz ATBXKQPRRNZRMS-UHFFFAOYSA-N 1 2 185.296 1.205 20 0 ADADLO CSCC[N@@H+](C)Cc1cnc[nH]1 308070533 346253647 /nfs/dbraw/zinc/25/36/47/346253647.db2.gz ATBXKQPRRNZRMS-UHFFFAOYSA-N 1 2 185.296 1.205 20 0 ADADLO CCC[N@H+](CCCCO)CC(F)F 308092450 346255773 /nfs/dbraw/zinc/25/57/73/346255773.db2.gz IQKMRJGUFPHMNC-UHFFFAOYSA-N 1 2 195.253 1.736 20 0 ADADLO CCC[N@@H+](CCCCO)CC(F)F 308092450 346255775 /nfs/dbraw/zinc/25/57/75/346255775.db2.gz IQKMRJGUFPHMNC-UHFFFAOYSA-N 1 2 195.253 1.736 20 0 ADADLO CC(=O)CSCc1[nH+]ccn1C 308120359 346257860 /nfs/dbraw/zinc/25/78/60/346257860.db2.gz OXQKLHURRWPCCU-UHFFFAOYSA-N 1 2 184.264 1.242 20 0 ADADLO CC(=O)[C@@H](C)SCCn1cc[nH+]c1 308136596 346258932 /nfs/dbraw/zinc/25/89/32/346258932.db2.gz AEASSOLFLUJGPR-SECBINFHSA-N 1 2 198.291 1.594 20 0 ADADLO CC(=O)[C@H](C)SCCn1cc[nH+]c1 308136597 346259749 /nfs/dbraw/zinc/25/97/49/346259749.db2.gz AEASSOLFLUJGPR-VIFPVBQESA-N 1 2 198.291 1.594 20 0 ADADLO CSCC[N@H+](C)Cc1cn[nH]c1C 308157267 346262978 /nfs/dbraw/zinc/26/29/78/346262978.db2.gz BOXJERHDPDSARQ-UHFFFAOYSA-N 1 2 199.323 1.513 20 0 ADADLO CSCC[N@@H+](C)Cc1cn[nH]c1C 308157267 346262981 /nfs/dbraw/zinc/26/29/81/346262981.db2.gz BOXJERHDPDSARQ-UHFFFAOYSA-N 1 2 199.323 1.513 20 0 ADADLO CC(=O)CSCCCn1cc[nH+]c1 308165237 346264594 /nfs/dbraw/zinc/26/45/94/346264594.db2.gz XILOZBFEOQSRBD-UHFFFAOYSA-N 1 2 198.291 1.595 20 0 ADADLO OCCC1CC[NH+](CC(F)F)CC1 308196486 346268404 /nfs/dbraw/zinc/26/84/04/346268404.db2.gz SRPHBTLARMUFDK-UHFFFAOYSA-N 1 2 193.237 1.346 20 0 ADADLO Cn1c[nH+]cc1C[S@@](=O)CC1CC1 308202102 346268826 /nfs/dbraw/zinc/26/88/26/346268826.db2.gz ZHWGGJUTOWZVTK-ZDUSSCGKSA-N 1 2 198.291 1.079 20 0 ADADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C(=O)OC 308198807 346268962 /nfs/dbraw/zinc/26/89/62/346268962.db2.gz SZZRVKNWJFAJSP-YIZRAAEISA-N 1 2 185.267 1.326 20 0 ADADLO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)C(=O)OC 308198802 346268993 /nfs/dbraw/zinc/26/89/93/346268993.db2.gz SZZRVKNWJFAJSP-CIUDSAMLSA-N 1 2 185.267 1.326 20 0 ADADLO Cn1c[nH+]cc1C[S@](=O)CC1CC1 308202101 346269034 /nfs/dbraw/zinc/26/90/34/346269034.db2.gz ZHWGGJUTOWZVTK-CYBMUJFWSA-N 1 2 198.291 1.079 20 0 ADADLO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C(=O)OC 308198804 346269082 /nfs/dbraw/zinc/26/90/82/346269082.db2.gz SZZRVKNWJFAJSP-DJLDLDEBSA-N 1 2 185.267 1.326 20 0 ADADLO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)C(=O)OC 308198805 346269106 /nfs/dbraw/zinc/26/91/06/346269106.db2.gz SZZRVKNWJFAJSP-XHNCKOQMSA-N 1 2 185.267 1.326 20 0 ADADLO CCN(CCOC)c1cccc[nH+]1 308232586 346272956 /nfs/dbraw/zinc/27/29/56/346272956.db2.gz PLRACGWVPXTHGD-UHFFFAOYSA-N 1 2 180.251 1.554 20 0 ADADLO CCCN(C)c1cc(CC)[nH+]cn1 308234935 346273232 /nfs/dbraw/zinc/27/32/32/346273232.db2.gz QLPBXTOOFUZRLK-UHFFFAOYSA-N 1 2 179.267 1.885 20 0 ADADLO CC[N@H+](CCOC)Cc1ccon1 308245587 346274745 /nfs/dbraw/zinc/27/47/45/346274745.db2.gz VLGDGOFNTOEVEG-UHFFFAOYSA-N 1 2 184.239 1.143 20 0 ADADLO CC[N@@H+](CCOC)Cc1ccon1 308245587 346274747 /nfs/dbraw/zinc/27/47/47/346274747.db2.gz VLGDGOFNTOEVEG-UHFFFAOYSA-N 1 2 184.239 1.143 20 0 ADADLO COC[C@H]1CCC[N@@H+](CC(F)F)C1 308262586 346278056 /nfs/dbraw/zinc/27/80/56/346278056.db2.gz NNHFPFYMLPTFRH-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO COC[C@@H]1CCC[N@H+](CC(F)F)C1 308262585 346278113 /nfs/dbraw/zinc/27/81/13/346278113.db2.gz NNHFPFYMLPTFRH-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO COC[C@@H]1CCC[N@@H+](CC(F)F)C1 308262585 346278114 /nfs/dbraw/zinc/27/81/14/346278114.db2.gz NNHFPFYMLPTFRH-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO CO[C@H](C)CCNc1cccc[nH+]1 308285713 346281439 /nfs/dbraw/zinc/28/14/39/346281439.db2.gz BVZNEKNZHWCCOR-SECBINFHSA-N 1 2 180.251 1.919 20 0 ADADLO CO[C@@H](C)CCNc1cccc[nH+]1 308285714 346281577 /nfs/dbraw/zinc/28/15/77/346281577.db2.gz BVZNEKNZHWCCOR-VIFPVBQESA-N 1 2 180.251 1.919 20 0 ADADLO COC(=O)C(C)(C)[NH2+]CC=C(C)C 308304309 346284948 /nfs/dbraw/zinc/28/49/48/346284948.db2.gz MRHOJYCRDZVJKU-UHFFFAOYSA-N 1 2 185.267 1.494 20 0 ADADLO CC(=O)[C@H](C)SCc1c[nH+]cn1C 308317170 346287573 /nfs/dbraw/zinc/28/75/73/346287573.db2.gz WHZBKDMPOGBBGU-QMMMGPOBSA-N 1 2 198.291 1.631 20 0 ADADLO CC(=O)[C@@H](C)SCc1c[nH+]cn1C 308317169 346287580 /nfs/dbraw/zinc/28/75/80/346287580.db2.gz WHZBKDMPOGBBGU-MRVPVSSYSA-N 1 2 198.291 1.631 20 0 ADADLO C/C=C\C[S@](=O)Cc1c[nH+]cn1C 308316789 346287610 /nfs/dbraw/zinc/28/76/10/346287610.db2.gz VZZMXMKYMRJONY-SCOBNMCVSA-N 1 2 198.291 1.245 20 0 ADADLO C/C=C/C[S@@](=O)Cc1c[nH+]cn1C 308316787 346287712 /nfs/dbraw/zinc/28/77/12/346287712.db2.gz VZZMXMKYMRJONY-ITDFMYJTSA-N 1 2 198.291 1.245 20 0 ADADLO C/C=C\C[S@@](=O)Cc1c[nH+]cn1C 308316786 346287795 /nfs/dbraw/zinc/28/77/95/346287795.db2.gz VZZMXMKYMRJONY-DHCBQETCSA-N 1 2 198.291 1.245 20 0 ADADLO C/C=C/C[S@](=O)Cc1c[nH+]cn1C 308316788 346287937 /nfs/dbraw/zinc/28/79/37/346287937.db2.gz VZZMXMKYMRJONY-OOPCZODUSA-N 1 2 198.291 1.245 20 0 ADADLO c1coc(C[NH2+]Cc2cocn2)c1 308321356 346288423 /nfs/dbraw/zinc/28/84/23/346288423.db2.gz BJKDNHVAFHDGPM-UHFFFAOYSA-N 1 2 178.191 1.557 20 0 ADADLO CCO[C@@H]1CCC[N@H+](CC(F)F)C1 308392265 346296608 /nfs/dbraw/zinc/29/66/08/346296608.db2.gz BOYIDSMBBNTXQN-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CCO[C@@H]1CCC[N@@H+](CC(F)F)C1 308392265 346296611 /nfs/dbraw/zinc/29/66/11/346296611.db2.gz BOYIDSMBBNTXQN-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CCO[C@H]1CCC[N@H+](CC(F)F)C1 308392267 346296682 /nfs/dbraw/zinc/29/66/82/346296682.db2.gz BOYIDSMBBNTXQN-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CCO[C@H]1CCC[N@@H+](CC(F)F)C1 308392267 346296686 /nfs/dbraw/zinc/29/66/86/346296686.db2.gz BOYIDSMBBNTXQN-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CCC[N@H+](CC(F)F)C[C@@H](O)CC 308395883 346297497 /nfs/dbraw/zinc/29/74/97/346297497.db2.gz DCOOEHSHSZYMQM-QMMMGPOBSA-N 1 2 195.253 1.734 20 0 ADADLO CCC[N@@H+](CC(F)F)C[C@@H](O)CC 308395883 346297499 /nfs/dbraw/zinc/29/74/99/346297499.db2.gz DCOOEHSHSZYMQM-QMMMGPOBSA-N 1 2 195.253 1.734 20 0 ADADLO CCC[N@H+](CC(F)F)C[C@H](O)CC 308395882 346297582 /nfs/dbraw/zinc/29/75/82/346297582.db2.gz DCOOEHSHSZYMQM-MRVPVSSYSA-N 1 2 195.253 1.734 20 0 ADADLO CCC[N@@H+](CC(F)F)C[C@H](O)CC 308395882 346297585 /nfs/dbraw/zinc/29/75/85/346297585.db2.gz DCOOEHSHSZYMQM-MRVPVSSYSA-N 1 2 195.253 1.734 20 0 ADADLO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C(=O)OC 308430577 346302623 /nfs/dbraw/zinc/30/26/23/346302623.db2.gz SZZRVKNWJFAJSP-HLTSFMKQSA-N 1 2 185.267 1.326 20 0 ADADLO COCC[N@H+](CC(C)C)CC(F)F 308431187 346302704 /nfs/dbraw/zinc/30/27/04/346302704.db2.gz TZZVMAXPGPCUJD-UHFFFAOYSA-N 1 2 195.253 1.856 20 0 ADADLO COCC[N@@H+](CC(C)C)CC(F)F 308431187 346302708 /nfs/dbraw/zinc/30/27/08/346302708.db2.gz TZZVMAXPGPCUJD-UHFFFAOYSA-N 1 2 195.253 1.856 20 0 ADADLO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C(=O)OC 308430578 346302793 /nfs/dbraw/zinc/30/27/93/346302793.db2.gz SZZRVKNWJFAJSP-IWSPIJDZSA-N 1 2 185.267 1.326 20 0 ADADLO COC(=O)[C@H](C)[NH2+]C1CC(C)(C)C1 308445353 346304029 /nfs/dbraw/zinc/30/40/29/346304029.db2.gz AZLBFFWBIAAPHE-ZETCQYMHSA-N 1 2 185.267 1.326 20 0 ADADLO COC(=O)[C@@H](C)[NH2+]C1CC(C)(C)C1 308445352 346303738 /nfs/dbraw/zinc/30/37/38/346303738.db2.gz AZLBFFWBIAAPHE-SSDOTTSWSA-N 1 2 185.267 1.326 20 0 ADADLO COC(=O)[C@@H](C)[NH2+]C1(C2CC2)CC1 308456122 346304730 /nfs/dbraw/zinc/30/47/30/346304730.db2.gz GBKAATXSXGBOME-SSDOTTSWSA-N 1 2 183.251 1.080 20 0 ADADLO COC(=O)[C@H](C)[NH2+]C1(C2CC2)CC1 308456126 346304786 /nfs/dbraw/zinc/30/47/86/346304786.db2.gz GBKAATXSXGBOME-ZETCQYMHSA-N 1 2 183.251 1.080 20 0 ADADLO COC(=O)[C@@H](C)[N@H+](C)CC=C(C)C 308463340 346305011 /nfs/dbraw/zinc/30/50/11/346305011.db2.gz IGZIIQGPEROFDA-SECBINFHSA-N 1 2 185.267 1.446 20 0 ADADLO COC(=O)[C@@H](C)[N@@H+](C)CC=C(C)C 308463340 346305016 /nfs/dbraw/zinc/30/50/16/346305016.db2.gz IGZIIQGPEROFDA-SECBINFHSA-N 1 2 185.267 1.446 20 0 ADADLO COC(=O)[C@H](C)[N@H+](C)CC=C(C)C 308463344 346305301 /nfs/dbraw/zinc/30/53/01/346305301.db2.gz IGZIIQGPEROFDA-VIFPVBQESA-N 1 2 185.267 1.446 20 0 ADADLO COC(=O)[C@H](C)[N@@H+](C)CC=C(C)C 308463344 346305302 /nfs/dbraw/zinc/30/53/02/346305302.db2.gz IGZIIQGPEROFDA-VIFPVBQESA-N 1 2 185.267 1.446 20 0 ADADLO CC[C@@H](O)C[N@H+](CC(F)F)C1CC1 308476572 346305772 /nfs/dbraw/zinc/30/57/72/346305772.db2.gz MDFCZQJNGNVPSJ-MRVPVSSYSA-N 1 2 193.237 1.487 20 0 ADADLO CC[C@@H](O)C[N@@H+](CC(F)F)C1CC1 308476572 346305774 /nfs/dbraw/zinc/30/57/74/346305774.db2.gz MDFCZQJNGNVPSJ-MRVPVSSYSA-N 1 2 193.237 1.487 20 0 ADADLO CC[C@H](O)C[N@H+](CC(F)F)C1CC1 308476576 346306163 /nfs/dbraw/zinc/30/61/63/346306163.db2.gz MDFCZQJNGNVPSJ-QMMMGPOBSA-N 1 2 193.237 1.487 20 0 ADADLO CC[C@H](O)C[N@@H+](CC(F)F)C1CC1 308476576 346306164 /nfs/dbraw/zinc/30/61/64/346306164.db2.gz MDFCZQJNGNVPSJ-QMMMGPOBSA-N 1 2 193.237 1.487 20 0 ADADLO CCCCNC(=O)c1c[nH+]c(C)[nH]1 308502102 346308844 /nfs/dbraw/zinc/30/88/44/346308844.db2.gz XMJGZUBBRYIPHS-UHFFFAOYSA-N 1 2 181.239 1.248 20 0 ADADLO Cn1cccc1C[NH2+]Cc1cocn1 308510882 346309614 /nfs/dbraw/zinc/30/96/14/346309614.db2.gz JLKNJPQCAYEUEZ-UHFFFAOYSA-N 1 2 191.234 1.303 20 0 ADADLO CO[C@H](C[NH2+]Cc1ccn[nH]1)C(C)C 308591773 346313467 /nfs/dbraw/zinc/31/34/67/346313467.db2.gz KQAODWWGCRQKKW-SNVBAGLBSA-N 1 2 197.282 1.170 20 0 ADADLO CO[C@@H](C[NH2+]Cc1ccn[nH]1)C(C)C 308591770 346313719 /nfs/dbraw/zinc/31/37/19/346313719.db2.gz KQAODWWGCRQKKW-JTQLQIEISA-N 1 2 197.282 1.170 20 0 ADADLO C[C@H](O)C[C@@H](C)CNc1cccc[nH+]1 308580075 346313735 /nfs/dbraw/zinc/31/37/35/346313735.db2.gz GFEGDVVDIOADDK-ZJUUUORDSA-N 1 2 194.278 1.901 20 0 ADADLO C[C@H](CNc1cccc[nH+]1)C[C@@H](C)O 308580074 346313813 /nfs/dbraw/zinc/31/38/13/346313813.db2.gz GFEGDVVDIOADDK-VHSXEESVSA-N 1 2 194.278 1.901 20 0 ADADLO C[C@@H](O)C[C@@H](C)CNc1cccc[nH+]1 308580072 346313943 /nfs/dbraw/zinc/31/39/43/346313943.db2.gz GFEGDVVDIOADDK-NXEZZACHSA-N 1 2 194.278 1.901 20 0 ADADLO C[C@H](O)C[C@H](C)CNc1cccc[nH+]1 308580073 346313957 /nfs/dbraw/zinc/31/39/57/346313957.db2.gz GFEGDVVDIOADDK-UWVGGRQHSA-N 1 2 194.278 1.901 20 0 ADADLO CNC(=O)CCCNc1cccc[nH+]1 308595866 346314359 /nfs/dbraw/zinc/31/43/59/346314359.db2.gz MLCOTOMEIIHJDB-UHFFFAOYSA-N 1 2 193.250 1.020 20 0 ADADLO CC[C@](C)([NH2+]CC=C(C)C)C(=O)OC 308597030 346314425 /nfs/dbraw/zinc/31/44/25/346314425.db2.gz MYBNPQTUGINSLJ-NSHDSACASA-N 1 2 199.294 1.884 20 0 ADADLO CC[C@@](C)([NH2+]CC=C(C)C)C(=O)OC 308597029 346314508 /nfs/dbraw/zinc/31/45/08/346314508.db2.gz MYBNPQTUGINSLJ-LLVKDONJSA-N 1 2 199.294 1.884 20 0 ADADLO CO[C@@H](C)CCNc1cc(C)[nH+]cn1 308617518 346315127 /nfs/dbraw/zinc/31/51/27/346315127.db2.gz SDQJGBJNLZAUMM-VIFPVBQESA-N 1 2 195.266 1.622 20 0 ADADLO CCC(=O)NCCNc1cccc[nH+]1 308622939 346315212 /nfs/dbraw/zinc/31/52/12/346315212.db2.gz UUESYIVGOCWKOA-UHFFFAOYSA-N 1 2 193.250 1.020 20 0 ADADLO CO[C@H](C)CCNc1cc(C)[nH+]cn1 308617513 346315369 /nfs/dbraw/zinc/31/53/69/346315369.db2.gz SDQJGBJNLZAUMM-SECBINFHSA-N 1 2 195.266 1.622 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C)CC1 308627956 346316198 /nfs/dbraw/zinc/31/61/98/346316198.db2.gz XOBKKPJTQHEAHG-UHFFFAOYSA-N 1 2 193.250 1.168 20 0 ADADLO CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 308654531 346317024 /nfs/dbraw/zinc/31/70/24/346317024.db2.gz MPFAUTSPWVIBRE-SECBINFHSA-N 1 2 195.266 1.188 20 0 ADADLO CC(C)CNC(=O)CCn1cc[nH+]c1 308637903 346317094 /nfs/dbraw/zinc/31/70/94/346317094.db2.gz BRUHDOKGRJQRAC-UHFFFAOYSA-N 1 2 195.266 1.045 20 0 ADADLO CC(=O)NCCCNc1cccc[nH+]1 308654994 346317493 /nfs/dbraw/zinc/31/74/93/346317493.db2.gz NOXUOXDSKAGURF-UHFFFAOYSA-N 1 2 193.250 1.020 20 0 ADADLO CC[C@H](C)NC(=O)CCn1cc[nH+]c1 308654532 346317856 /nfs/dbraw/zinc/31/78/56/346317856.db2.gz MPFAUTSPWVIBRE-VIFPVBQESA-N 1 2 195.266 1.188 20 0 ADADLO CC[C@@H](C)[C@H](O)CNc1cccc[nH+]1 308731295 346318265 /nfs/dbraw/zinc/31/82/65/346318265.db2.gz JOLVVHXEKOXLHY-NXEZZACHSA-N 1 2 194.278 1.901 20 0 ADADLO CC(C)(C)NC(=O)CCn1cc[nH+]c1 308699605 346318319 /nfs/dbraw/zinc/31/83/19/346318319.db2.gz UOZUTVKNELOSIV-UHFFFAOYSA-N 1 2 195.266 1.188 20 0 ADADLO CC[C@@H](C)[C@@H](O)CNc1cccc[nH+]1 308731298 346318603 /nfs/dbraw/zinc/31/86/03/346318603.db2.gz JOLVVHXEKOXLHY-ZJUUUORDSA-N 1 2 194.278 1.901 20 0 ADADLO CC[C@H](C)[C@@H](O)CNc1cccc[nH+]1 308731296 346318610 /nfs/dbraw/zinc/31/86/10/346318610.db2.gz JOLVVHXEKOXLHY-UWVGGRQHSA-N 1 2 194.278 1.901 20 0 ADADLO CC[C@H](C)[C@H](O)CNc1cccc[nH+]1 308731297 346318680 /nfs/dbraw/zinc/31/86/80/346318680.db2.gz JOLVVHXEKOXLHY-VHSXEESVSA-N 1 2 194.278 1.901 20 0 ADADLO Cc1ccc(C[NH2+]Cc2cocn2)o1 308743372 346319029 /nfs/dbraw/zinc/31/90/29/346319029.db2.gz QBXIWHSAZQOKMF-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO Cc1cc(C[NH+]2CCSCC2)no1 334142552 346327237 /nfs/dbraw/zinc/32/72/37/346327237.db2.gz OJWGQKFHTJVVAP-UHFFFAOYSA-N 1 2 198.291 1.532 20 0 ADADLO Cc1ccc(NC(=O)[C@@H](C)O)c(C)[nH+]1 334147978 346328006 /nfs/dbraw/zinc/32/80/06/346328006.db2.gz XGTZXIOSDOQVEK-MRVPVSSYSA-N 1 2 194.234 1.018 20 0 ADADLO Cc1ccc(NC(=O)[C@H](C)O)c(C)[nH+]1 334147979 346328210 /nfs/dbraw/zinc/32/82/10/346328210.db2.gz XGTZXIOSDOQVEK-QMMMGPOBSA-N 1 2 194.234 1.018 20 0 ADADLO C[N@H+](Cc1cnc[nH]1)[C@@H]1CCCOC1 334179692 346329820 /nfs/dbraw/zinc/32/98/20/346329820.db2.gz DMTWEHCWKOKWDH-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CCCOC1 334179692 346329824 /nfs/dbraw/zinc/32/98/24/346329824.db2.gz DMTWEHCWKOKWDH-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1cnc[nH]1)[C@H]1CCCOC1 334179682 346329983 /nfs/dbraw/zinc/32/99/83/346329983.db2.gz DMTWEHCWKOKWDH-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](Cc1cnc[nH]1)[C@H]1CCCOC1 334179682 346329985 /nfs/dbraw/zinc/32/99/85/346329985.db2.gz DMTWEHCWKOKWDH-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO Cc1[nH]ncc1C[N@@H+]1CCC12CCC2 334181563 346329999 /nfs/dbraw/zinc/32/99/99/346329999.db2.gz DGJDCCNDXQCTRO-UHFFFAOYSA-N 1 2 191.278 1.847 20 0 ADADLO Cc1[nH]ncc1C[N@H+]1CCC12CCC2 334181563 346330002 /nfs/dbraw/zinc/33/00/02/346330002.db2.gz DGJDCCNDXQCTRO-UHFFFAOYSA-N 1 2 191.278 1.847 20 0 ADADLO CC[C@H]1CCC[N@H+](Cc2cn[nH]n2)C1 334187545 346330336 /nfs/dbraw/zinc/33/03/36/346330336.db2.gz IACCRROJRRFJCK-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 334185375 346330420 /nfs/dbraw/zinc/33/04/20/346330420.db2.gz FAGDPYVCWDLKSG-JTQLQIEISA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 334185375 346330424 /nfs/dbraw/zinc/33/04/24/346330424.db2.gz FAGDPYVCWDLKSG-JTQLQIEISA-N 1 2 195.262 1.809 20 0 ADADLO CC[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 334187539 346330456 /nfs/dbraw/zinc/33/04/56/346330456.db2.gz IACCRROJRRFJCK-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@@](C)(F)C2)on1 334188019 346330736 /nfs/dbraw/zinc/33/07/36/346330736.db2.gz GBFWWXOPXGRMDL-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@@](C)(F)C2)on1 334188019 346330737 /nfs/dbraw/zinc/33/07/37/346330737.db2.gz GBFWWXOPXGRMDL-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@](C)(F)C2)on1 334188010 346330854 /nfs/dbraw/zinc/33/08/54/346330854.db2.gz GBFWWXOPXGRMDL-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@](C)(F)C2)on1 334188010 346330857 /nfs/dbraw/zinc/33/08/57/346330857.db2.gz GBFWWXOPXGRMDL-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO C[C@H]1C[N@H+](Cc2cccnc2)CCO1 334201846 346331382 /nfs/dbraw/zinc/33/13/82/346331382.db2.gz RKYLMASFEGDNRW-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO C[C@H]1C[N@@H+](Cc2cccnc2)CCO1 334201846 346331385 /nfs/dbraw/zinc/33/13/85/346331385.db2.gz RKYLMASFEGDNRW-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO Cc1nc(N2CCC(F)(F)C2)cc[nH+]1 334199460 346331582 /nfs/dbraw/zinc/33/15/82/346331582.db2.gz MKRPYRZANFGEOL-UHFFFAOYSA-N 1 2 199.204 1.630 20 0 ADADLO Cc1[nH]c(C(=O)NC2CC(C)C2)c[nH+]1 334208281 346332396 /nfs/dbraw/zinc/33/23/96/346332396.db2.gz CRNKOYMFNCVLSK-UHFFFAOYSA-N 1 2 193.250 1.246 20 0 ADADLO CCc1c[nH+]ccc1NC(=O)C1CC1 334232834 346333664 /nfs/dbraw/zinc/33/36/64/346333664.db2.gz NOCVBJXPSCBZTM-UHFFFAOYSA-N 1 2 190.246 1.414 20 0 ADADLO Cc1[nH]c(C(=O)NCC2CCC2)c[nH+]1 334236639 346333716 /nfs/dbraw/zinc/33/37/16/346333716.db2.gz LLBDXEMFUBPELF-UHFFFAOYSA-N 1 2 193.250 1.248 20 0 ADADLO C[C@H]1C[C@@H](C)C[N@H+](Cc2cn[nH]n2)C1 334245514 346334349 /nfs/dbraw/zinc/33/43/49/346334349.db2.gz RWKGKEAPQAWBHN-DTORHVGOSA-N 1 2 194.282 1.283 20 0 ADADLO CC1=CC[N@H+](Cc2cn[nH]c2C)CC1 334269031 346335905 /nfs/dbraw/zinc/33/59/05/346335905.db2.gz QDVVNQBXDDSKLO-UHFFFAOYSA-N 1 2 191.278 1.870 20 0 ADADLO CC1=CC[N@@H+](Cc2cn[nH]c2C)CC1 334269031 346335909 /nfs/dbraw/zinc/33/59/09/346335909.db2.gz QDVVNQBXDDSKLO-UHFFFAOYSA-N 1 2 191.278 1.870 20 0 ADADLO Cc1cc(C[N@@H+](C)C2CC2)no1 334264478 346336493 /nfs/dbraw/zinc/33/64/93/346336493.db2.gz LDMIPXNPZUMSMK-UHFFFAOYSA-N 1 2 166.224 1.577 20 0 ADADLO Cc1cc(C[N@H+](C)C2CC2)no1 334264478 346336495 /nfs/dbraw/zinc/33/64/95/346336495.db2.gz LDMIPXNPZUMSMK-UHFFFAOYSA-N 1 2 166.224 1.577 20 0 ADADLO Cc1cc(C[N@@H+]2CCC[C@H]2CF)no1 334274180 346336853 /nfs/dbraw/zinc/33/68/53/346336853.db2.gz QECOCMAJHSNNKU-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@H+]2CCC[C@H]2CF)no1 334274180 346336856 /nfs/dbraw/zinc/33/68/56/346336856.db2.gz QECOCMAJHSNNKU-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cnc(C[N@@H+](C)C2CC2)o1 334270005 346337262 /nfs/dbraw/zinc/33/72/62/346337262.db2.gz RLXARGYHFLSMQA-UHFFFAOYSA-N 1 2 166.224 1.577 20 0 ADADLO Cc1cnc(C[N@H+](C)C2CC2)o1 334270005 346337264 /nfs/dbraw/zinc/33/72/64/346337264.db2.gz RLXARGYHFLSMQA-UHFFFAOYSA-N 1 2 166.224 1.577 20 0 ADADLO CC[C@H]1COCC[N@@H+]1Cc1ccno1 334273055 346337339 /nfs/dbraw/zinc/33/73/39/346337339.db2.gz JVEFUDNAERQMNQ-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO CC[C@H]1COCC[N@H+]1Cc1ccno1 334273055 346337342 /nfs/dbraw/zinc/33/73/42/346337342.db2.gz JVEFUDNAERQMNQ-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO Cc1cc(C[N@H+]2CCC[C@@H]2CF)no1 334274182 346337350 /nfs/dbraw/zinc/33/73/50/346337350.db2.gz QECOCMAJHSNNKU-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO CC1(C)CN(Cc2[nH]cc[nH+]2)CCO1 334288642 346337953 /nfs/dbraw/zinc/33/79/53/346337953.db2.gz ZNEQDCFCXMEVBE-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO C[C@H]1COCC[N@@H+]1Cc1cccnc1 334279898 346338167 /nfs/dbraw/zinc/33/81/67/346338167.db2.gz QXTWGXIRJSFGIY-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO C[C@H]1COCC[N@H+]1Cc1cccnc1 334279898 346338169 /nfs/dbraw/zinc/33/81/69/346338169.db2.gz QXTWGXIRJSFGIY-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccccn2)CCO1 334301602 346339111 /nfs/dbraw/zinc/33/91/11/346339111.db2.gz XWHYUZNIQNLPSE-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccccn2)CCO1 334301602 346339114 /nfs/dbraw/zinc/33/91/14/346339114.db2.gz XWHYUZNIQNLPSE-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO Cc1nc(C[NH+]2[C@H](C)CC[C@H]2C)no1 334311862 346339765 /nfs/dbraw/zinc/33/97/65/346339765.db2.gz SIPKDFHRKQWCOL-HTQZYQBOSA-N 1 2 195.266 1.751 20 0 ADADLO Cc1nc(C[N@@H+]2[C@@H](C)CC[C@H]2C)no1 334311863 346339798 /nfs/dbraw/zinc/33/97/98/346339798.db2.gz SIPKDFHRKQWCOL-OCAPTIKFSA-N 1 2 195.266 1.751 20 0 ADADLO Cc1nc(C[N@H+]2[C@@H](C)CC[C@H]2C)no1 334311863 346339800 /nfs/dbraw/zinc/33/98/00/346339800.db2.gz SIPKDFHRKQWCOL-OCAPTIKFSA-N 1 2 195.266 1.751 20 0 ADADLO Cc1nc(C[NH+]2[C@@H](C)CC[C@@H]2C)no1 334311864 346339889 /nfs/dbraw/zinc/33/98/89/346339889.db2.gz SIPKDFHRKQWCOL-YUMQZZPRSA-N 1 2 195.266 1.751 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccno2)[C@H](C)CO1 334330873 346340518 /nfs/dbraw/zinc/34/05/18/346340518.db2.gz PDCXWIFQHIATGY-BDAKNGLRSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccno2)[C@H](C)CO1 334330873 346340524 /nfs/dbraw/zinc/34/05/24/346340524.db2.gz PDCXWIFQHIATGY-BDAKNGLRSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccncc2)CCO1 334325215 346340606 /nfs/dbraw/zinc/34/06/06/346340606.db2.gz GACSKNYLHSXVOX-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO Cc1cc(NC(=O)C2(C)CC2)cc[nH+]1 334331642 346340709 /nfs/dbraw/zinc/34/07/09/346340709.db2.gz LNPYRXTVPAKUCG-UHFFFAOYSA-N 1 2 190.246 1.551 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccno1 334330877 346340773 /nfs/dbraw/zinc/34/07/73/346340773.db2.gz PDCXWIFQHIATGY-DTWKUNHWSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@H+]1Cc1ccno1 334330877 346340777 /nfs/dbraw/zinc/34/07/77/346340777.db2.gz PDCXWIFQHIATGY-DTWKUNHWSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccno2)[C@@H](C)CO1 334330879 346340826 /nfs/dbraw/zinc/34/08/26/346340826.db2.gz PDCXWIFQHIATGY-IUCAKERBSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccno2)[C@@H](C)CO1 334330879 346340830 /nfs/dbraw/zinc/34/08/30/346340830.db2.gz PDCXWIFQHIATGY-IUCAKERBSA-N 1 2 196.250 1.284 20 0 ADADLO CC[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 334332002 346340996 /nfs/dbraw/zinc/34/09/96/346340996.db2.gz LUYJSMZSSDMJKR-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 334332003 346341005 /nfs/dbraw/zinc/34/10/05/346341005.db2.gz LUYJSMZSSDMJKR-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 334361517 346342475 /nfs/dbraw/zinc/34/24/75/346342475.db2.gz BWIGEIBDMVJWFH-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO Cc1ccoc1C[N@@H+]1CCO[C@@H](C)C1 334364741 346342611 /nfs/dbraw/zinc/34/26/11/346342611.db2.gz NKXLWQKHDGILET-JTQLQIEISA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccoc1C[N@H+]1CCO[C@@H](C)C1 334364741 346342615 /nfs/dbraw/zinc/34/26/15/346342615.db2.gz NKXLWQKHDGILET-JTQLQIEISA-N 1 2 195.262 1.809 20 0 ADADLO Cc1[nH]c(C(=O)N[C@H]2CC2(C)C)c[nH+]1 334352721 346342712 /nfs/dbraw/zinc/34/27/12/346342712.db2.gz HLRVYPUXLYCCBB-QMMMGPOBSA-N 1 2 193.250 1.246 20 0 ADADLO CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 334361516 346342820 /nfs/dbraw/zinc/34/28/20/346342820.db2.gz BWIGEIBDMVJWFH-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO Cc1ccoc1C[N@@H+]1CCO[C@H](C)C1 334364743 346342867 /nfs/dbraw/zinc/34/28/67/346342867.db2.gz NKXLWQKHDGILET-SNVBAGLBSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccoc1C[N@H+]1CCO[C@H](C)C1 334364743 346342871 /nfs/dbraw/zinc/34/28/71/346342871.db2.gz NKXLWQKHDGILET-SNVBAGLBSA-N 1 2 195.262 1.809 20 0 ADADLO CCC(=O)Nc1cccc2[nH+]ccn12 334383790 346344528 /nfs/dbraw/zinc/34/45/28/346344528.db2.gz LHGKAVKJGVCONY-UHFFFAOYSA-N 1 2 189.218 1.683 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@@](C)(F)C2)no1 334394031 346345373 /nfs/dbraw/zinc/34/53/73/346345373.db2.gz AXEOMECREJJJPB-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@@](C)(F)C2)no1 334394031 346345376 /nfs/dbraw/zinc/34/53/76/346345376.db2.gz AXEOMECREJJJPB-SNVBAGLBSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@](C)(F)C2)no1 334394029 346345511 /nfs/dbraw/zinc/34/55/11/346345511.db2.gz AXEOMECREJJJPB-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@](C)(F)C2)no1 334394029 346345513 /nfs/dbraw/zinc/34/55/13/346345513.db2.gz AXEOMECREJJJPB-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO CC[C@@H]1C[N@H+](Cc2ccco2)CCO1 334438016 346347620 /nfs/dbraw/zinc/34/76/20/346347620.db2.gz SELGVNQVLNYDFN-SNVBAGLBSA-N 1 2 195.262 1.890 20 0 ADADLO CC[C@@H]1C[N@@H+](Cc2ccco2)CCO1 334438016 346347621 /nfs/dbraw/zinc/34/76/21/346347621.db2.gz SELGVNQVLNYDFN-SNVBAGLBSA-N 1 2 195.262 1.890 20 0 ADADLO CC[C@H]1C[N@H+](Cc2ccco2)CCO1 334438015 346347947 /nfs/dbraw/zinc/34/79/47/346347947.db2.gz SELGVNQVLNYDFN-JTQLQIEISA-N 1 2 195.262 1.890 20 0 ADADLO CC[C@H]1C[N@@H+](Cc2ccco2)CCO1 334438015 346347954 /nfs/dbraw/zinc/34/79/54/346347954.db2.gz SELGVNQVLNYDFN-JTQLQIEISA-N 1 2 195.262 1.890 20 0 ADADLO CC1(C)C[N@H+](Cc2ccno2)CCO1 334472170 346348891 /nfs/dbraw/zinc/34/88/91/346348891.db2.gz KEDUDEONCIOJAV-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO CC1(C)C[N@@H+](Cc2ccno2)CCO1 334472170 346348896 /nfs/dbraw/zinc/34/88/96/346348896.db2.gz KEDUDEONCIOJAV-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 334469932 346349055 /nfs/dbraw/zinc/34/90/55/346349055.db2.gz FAGDPYVCWDLKSG-SNVBAGLBSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)o1 334469932 346349058 /nfs/dbraw/zinc/34/90/58/346349058.db2.gz FAGDPYVCWDLKSG-SNVBAGLBSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1nc([C@H](C)[NH+]2CCCCC2)no1 334476418 346349439 /nfs/dbraw/zinc/34/94/39/346349439.db2.gz NNRYLABODGXOSP-QMMMGPOBSA-N 1 2 195.266 1.925 20 0 ADADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]1CF 334482882 346349560 /nfs/dbraw/zinc/34/95/60/346349560.db2.gz XIWGENONKXOXMZ-VIFPVBQESA-N 1 2 197.257 1.652 20 0 ADADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]1CF 334482882 346349564 /nfs/dbraw/zinc/34/95/64/346349564.db2.gz XIWGENONKXOXMZ-VIFPVBQESA-N 1 2 197.257 1.652 20 0 ADADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1CF 334482882 346349565 /nfs/dbraw/zinc/34/95/65/346349565.db2.gz XIWGENONKXOXMZ-VIFPVBQESA-N 1 2 197.257 1.652 20 0 ADADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H]1CF 334482882 346349569 /nfs/dbraw/zinc/34/95/69/346349569.db2.gz XIWGENONKXOXMZ-VIFPVBQESA-N 1 2 197.257 1.652 20 0 ADADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]1CF 334482880 346349715 /nfs/dbraw/zinc/34/97/15/346349715.db2.gz XIWGENONKXOXMZ-SECBINFHSA-N 1 2 197.257 1.652 20 0 ADADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]1CF 334482880 346349719 /nfs/dbraw/zinc/34/97/19/346349719.db2.gz XIWGENONKXOXMZ-SECBINFHSA-N 1 2 197.257 1.652 20 0 ADADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H]1CF 334482880 346349721 /nfs/dbraw/zinc/34/97/21/346349721.db2.gz XIWGENONKXOXMZ-SECBINFHSA-N 1 2 197.257 1.652 20 0 ADADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H]1CF 334482880 346349725 /nfs/dbraw/zinc/34/97/25/346349725.db2.gz XIWGENONKXOXMZ-SECBINFHSA-N 1 2 197.257 1.652 20 0 ADADLO C[C@H]1CN(c2cccc[nH+]2)CCCO1 334479497 346349970 /nfs/dbraw/zinc/34/99/70/346349970.db2.gz SDLKPSRUDKRQTJ-JTQLQIEISA-N 1 2 192.262 1.697 20 0 ADADLO Cc1nc([C@@H](C)[NH+]2CCCCC2)no1 334476417 346349973 /nfs/dbraw/zinc/34/99/73/346349973.db2.gz NNRYLABODGXOSP-MRVPVSSYSA-N 1 2 195.266 1.925 20 0 ADADLO CC1=CCC[N@@H+](Cc2cn[nH]c2C)C1 334494302 346350565 /nfs/dbraw/zinc/35/05/65/346350565.db2.gz YETPJCQUEZQALJ-UHFFFAOYSA-N 1 2 191.278 1.870 20 0 ADADLO CC1=CCC[N@H+](Cc2cn[nH]c2C)C1 334494302 346350567 /nfs/dbraw/zinc/35/05/67/346350567.db2.gz YETPJCQUEZQALJ-UHFFFAOYSA-N 1 2 191.278 1.870 20 0 ADADLO CCC1(C)C[NH+](Cc2[nH]ncc2C)C1 334512328 346350658 /nfs/dbraw/zinc/35/06/58/346350658.db2.gz FOKZMLFTKWZJMU-UHFFFAOYSA-N 1 2 193.294 1.950 20 0 ADADLO CCC1C[NH+](Cc2cscn2)C1 334522808 346351549 /nfs/dbraw/zinc/35/15/49/346351549.db2.gz RLPLRATVYRERNB-UHFFFAOYSA-N 1 2 182.292 1.985 20 0 ADADLO CCC1C[NH+](Cc2cn[nH]c2C)C1 334522645 346351612 /nfs/dbraw/zinc/35/16/12/346351612.db2.gz PNEQHFGLRIHHMG-UHFFFAOYSA-N 1 2 179.267 1.560 20 0 ADADLO CCC1C[NH+](Cc2csnn2)C1 334522977 346351739 /nfs/dbraw/zinc/35/17/39/346351739.db2.gz UJFDOWLHCMJRGW-UHFFFAOYSA-N 1 2 183.280 1.380 20 0 ADADLO Cc1[nH]c(C(=O)N[C@@H](C)C2CC2)c[nH+]1 334528679 346352463 /nfs/dbraw/zinc/35/24/63/346352463.db2.gz SEFLTNRQTSHVPB-LURJTMIESA-N 1 2 193.250 1.246 20 0 ADADLO CC1=CC[N@H+](Cc2nnc(C)[nH]2)CC1 334537623 346353319 /nfs/dbraw/zinc/35/33/19/346353319.db2.gz TWZTWJBFXSVZSK-UHFFFAOYSA-N 1 2 192.266 1.265 20 0 ADADLO CC1=CC[N@@H+](Cc2nnc(C)[nH]2)CC1 334537623 346353322 /nfs/dbraw/zinc/35/33/22/346353322.db2.gz TWZTWJBFXSVZSK-UHFFFAOYSA-N 1 2 192.266 1.265 20 0 ADADLO Cc1[nH]c(C(=O)N[C@H](C)C2CC2)c[nH+]1 334543872 346353574 /nfs/dbraw/zinc/35/35/74/346353574.db2.gz SEFLTNRQTSHVPB-ZCFIWIBFSA-N 1 2 193.250 1.246 20 0 ADADLO C[C@]1(F)CC[N@H+](Cc2cnccn2)C1 334561982 346354075 /nfs/dbraw/zinc/35/40/75/346354075.db2.gz SEJBOQAGBNFYOD-JTQLQIEISA-N 1 2 195.241 1.411 20 0 ADADLO C[C@]1(F)CC[N@@H+](Cc2cnccn2)C1 334561982 346354078 /nfs/dbraw/zinc/35/40/78/346354078.db2.gz SEJBOQAGBNFYOD-JTQLQIEISA-N 1 2 195.241 1.411 20 0 ADADLO C[C@@]1(F)CC[N@H+](Cc2cnccn2)C1 334561987 346354442 /nfs/dbraw/zinc/35/44/42/346354442.db2.gz SEJBOQAGBNFYOD-SNVBAGLBSA-N 1 2 195.241 1.411 20 0 ADADLO C[C@@]1(F)CC[N@@H+](Cc2cnccn2)C1 334561987 346354446 /nfs/dbraw/zinc/35/44/46/346354446.db2.gz SEJBOQAGBNFYOD-SNVBAGLBSA-N 1 2 195.241 1.411 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccon2)CCCO1 334575641 346354852 /nfs/dbraw/zinc/35/48/52/346354852.db2.gz ATYDYMGOEKYZRR-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccon2)CCCO1 334575641 346354854 /nfs/dbraw/zinc/35/48/54/346354854.db2.gz ATYDYMGOEKYZRR-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO CCC1CN(c2cc[nH+]c(C)n2)C1 334576197 346355045 /nfs/dbraw/zinc/35/50/45/346355045.db2.gz KZOHRPXZYBZAGI-UHFFFAOYSA-N 1 2 177.251 1.631 20 0 ADADLO Cc1cnccc1C[NH+]1CCOCC1 334577443 346355165 /nfs/dbraw/zinc/35/51/65/346355165.db2.gz MTDUFUFTVGUZBZ-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO CCC1CN(c2cc(C)[nH+]cn2)C1 334576080 346355169 /nfs/dbraw/zinc/35/51/69/346355169.db2.gz IITDFZZCNXTFJG-UHFFFAOYSA-N 1 2 177.251 1.631 20 0 ADADLO Cc1cc(N2CC(CF)C2)nc[nH+]1 334581514 346355171 /nfs/dbraw/zinc/35/51/71/346355171.db2.gz RPFUNPFQXMXPEU-UHFFFAOYSA-N 1 2 181.214 1.191 20 0 ADADLO CC1=C(C)C[N@H+](Cc2cnn[nH]2)CC1 334623012 346357230 /nfs/dbraw/zinc/35/72/30/346357230.db2.gz LMBAMJCFDNGQKT-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO CC1=C(C)C[N@@H+](Cc2cnn[nH]2)CC1 334623012 346357232 /nfs/dbraw/zinc/35/72/32/346357232.db2.gz LMBAMJCFDNGQKT-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO CC1=C(C)C[N@@H+](Cc2c[nH]nn2)CC1 334623012 346357240 /nfs/dbraw/zinc/35/72/40/346357240.db2.gz LMBAMJCFDNGQKT-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO CC1=C(C)C[N@H+](Cc2cn[nH]n2)CC1 334623012 346357242 /nfs/dbraw/zinc/35/72/42/346357242.db2.gz LMBAMJCFDNGQKT-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO CC1=C(C)C[N@@H+](Cc2cn[nH]n2)CC1 334623012 346357246 /nfs/dbraw/zinc/35/72/46/346357246.db2.gz LMBAMJCFDNGQKT-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO CCC1CC[NH+](Cc2cnn[nH]2)CC1 334657093 346359050 /nfs/dbraw/zinc/35/90/50/346359050.db2.gz VDQAJKVTGSETBY-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CCC1CC[NH+](Cc2c[nH]nn2)CC1 334657093 346359051 /nfs/dbraw/zinc/35/90/51/346359051.db2.gz VDQAJKVTGSETBY-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CCC1CC[NH+](Cc2cn[nH]n2)CC1 334657093 346359052 /nfs/dbraw/zinc/35/90/52/346359052.db2.gz VDQAJKVTGSETBY-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2F)no1 334646044 346359110 /nfs/dbraw/zinc/35/91/10/346359110.db2.gz WGKZMZPNYKSTCD-VHSXEESVSA-N 1 2 198.241 1.963 20 0 ADADLO CC[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 334679685 346360479 /nfs/dbraw/zinc/36/04/79/346360479.db2.gz XKXSNBJZLYSOKC-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 334679685 346360482 /nfs/dbraw/zinc/36/04/82/346360482.db2.gz XKXSNBJZLYSOKC-QMMMGPOBSA-N 1 2 180.255 1.037 20 0 ADADLO Cc1nc(N2CC(F)C2)c(C)c(C)[nH+]1 334679541 346360734 /nfs/dbraw/zinc/36/07/34/346360734.db2.gz XJIZZTCDVLLAQL-UHFFFAOYSA-N 1 2 195.241 1.560 20 0 ADADLO CC(C)c1[nH+]ccn1Cc1c[nH]nn1 334707758 346361391 /nfs/dbraw/zinc/36/13/91/346361391.db2.gz LMTPSGKAPHWNKD-UHFFFAOYSA-N 1 2 191.238 1.173 20 0 ADADLO Cc1nc(C[N@@H+](C)C2CC2)oc1C 334736744 346362156 /nfs/dbraw/zinc/36/21/56/346362156.db2.gz OBROZXXRWIZNOQ-UHFFFAOYSA-N 1 2 180.251 1.886 20 0 ADADLO Cc1nc(C[N@H+](C)C2CC2)oc1C 334736744 346362160 /nfs/dbraw/zinc/36/21/60/346362160.db2.gz OBROZXXRWIZNOQ-UHFFFAOYSA-N 1 2 180.251 1.886 20 0 ADADLO CCc1nc(C[NH+]2CCCC2)no1 334736889 346362628 /nfs/dbraw/zinc/36/26/28/346362628.db2.gz UHXALLFEWIMYGO-UHFFFAOYSA-N 1 2 181.239 1.228 20 0 ADADLO CC[C@H](C)C(=O)Nc1cc[nH+]cc1C 334734018 346362788 /nfs/dbraw/zinc/36/27/88/346362788.db2.gz VAYXWHXLABFJJV-QMMMGPOBSA-N 1 2 192.262 1.797 20 0 ADADLO CN(C[C@H]1CCOC1)c1cccc[nH+]1 334764998 346363177 /nfs/dbraw/zinc/36/31/77/346363177.db2.gz HHKHBWRQQDRLDM-SNVBAGLBSA-N 1 2 192.262 1.554 20 0 ADADLO CN(C[C@@H]1CCOC1)c1cccc[nH+]1 334764997 346363441 /nfs/dbraw/zinc/36/34/41/346363441.db2.gz HHKHBWRQQDRLDM-JTQLQIEISA-N 1 2 192.262 1.554 20 0 ADADLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)C 334762050 346363604 /nfs/dbraw/zinc/36/36/04/346363604.db2.gz HCOAVYMJWBNEKV-UHFFFAOYSA-N 1 2 195.266 1.175 20 0 ADADLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)C 334762050 346363607 /nfs/dbraw/zinc/36/36/07/346363607.db2.gz HCOAVYMJWBNEKV-UHFFFAOYSA-N 1 2 195.266 1.175 20 0 ADADLO CCC1(C)C[NH+](Cc2cc[nH]n2)C1 334787146 346364144 /nfs/dbraw/zinc/36/41/44/346364144.db2.gz IXKDCCBPVJCKIF-UHFFFAOYSA-N 1 2 179.267 1.642 20 0 ADADLO CNC(=O)NCc1cc(C)[nH+]c(C)c1 334779458 346364182 /nfs/dbraw/zinc/36/41/82/346364182.db2.gz VUSZNHGPZGDYQA-UHFFFAOYSA-N 1 2 193.250 1.127 20 0 ADADLO CCC1(C)C[NH+](Cc2cn[nH]c2C)C1 334791959 346364766 /nfs/dbraw/zinc/36/47/66/346364766.db2.gz ZQPIFQXIMYDJOF-UHFFFAOYSA-N 1 2 193.294 1.950 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 334792699 346364788 /nfs/dbraw/zinc/36/47/88/346364788.db2.gz IWYSXXMQGGCELU-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 334792699 346364789 /nfs/dbraw/zinc/36/47/89/346364789.db2.gz IWYSXXMQGGCELU-VIFPVBQESA-N 1 2 194.282 1.427 20 0 ADADLO C[C@H]1COCC[N@@H+]1Cc1ccccn1 334803889 346365379 /nfs/dbraw/zinc/36/53/79/346365379.db2.gz WRAWGTDNSYUCTF-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO C[C@H]1COCC[N@H+]1Cc1ccccn1 334803889 346365383 /nfs/dbraw/zinc/36/53/83/346365383.db2.gz WRAWGTDNSYUCTF-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO CCC[N@@H+]1CC(=O)N[C@]12CC[C@@H](C)C2 334827080 346366293 /nfs/dbraw/zinc/36/62/93/346366293.db2.gz RUQLEZRJKFIOQD-MWLCHTKSSA-N 1 2 196.294 1.345 20 0 ADADLO CCC[N@H+]1CC(=O)N[C@]12CC[C@@H](C)C2 334827080 346366296 /nfs/dbraw/zinc/36/62/96/346366296.db2.gz RUQLEZRJKFIOQD-MWLCHTKSSA-N 1 2 196.294 1.345 20 0 ADADLO CCC[N@@H+]1CC(=O)N[C@@]12CC[C@H](C)C2 334827085 346366392 /nfs/dbraw/zinc/36/63/92/346366392.db2.gz RUQLEZRJKFIOQD-ONGXEEELSA-N 1 2 196.294 1.345 20 0 ADADLO CCC[N@H+]1CC(=O)N[C@@]12CC[C@H](C)C2 334827085 346366395 /nfs/dbraw/zinc/36/63/95/346366395.db2.gz RUQLEZRJKFIOQD-ONGXEEELSA-N 1 2 196.294 1.345 20 0 ADADLO CCC[N@@H+]1CC(=O)N[C@]12CC[C@H](C)C2 334827073 346366531 /nfs/dbraw/zinc/36/65/31/346366531.db2.gz RUQLEZRJKFIOQD-GXSJLCMTSA-N 1 2 196.294 1.345 20 0 ADADLO CCC[N@H+]1CC(=O)N[C@]12CC[C@H](C)C2 334827073 346366535 /nfs/dbraw/zinc/36/65/35/346366535.db2.gz RUQLEZRJKFIOQD-GXSJLCMTSA-N 1 2 196.294 1.345 20 0 ADADLO CCC[N@@H+]1CC(=O)N[C@@]12CC[C@@H](C)C2 334827077 346366599 /nfs/dbraw/zinc/36/65/99/346366599.db2.gz RUQLEZRJKFIOQD-KOLCDFICSA-N 1 2 196.294 1.345 20 0 ADADLO CCC[N@H+]1CC(=O)N[C@@]12CC[C@@H](C)C2 334827077 346366601 /nfs/dbraw/zinc/36/66/01/346366601.db2.gz RUQLEZRJKFIOQD-KOLCDFICSA-N 1 2 196.294 1.345 20 0 ADADLO C[C@H]1CC[N@@H+](CC(N)=O)[C@H](C(N)=O)C1 334877709 346368942 /nfs/dbraw/zinc/36/89/42/346368942.db2.gz XNAGESCATISGEZ-BQBZGAKWSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@H]1CC[N@H+](CC(N)=O)[C@H](C(N)=O)C1 334877709 346368939 /nfs/dbraw/zinc/36/89/39/346368939.db2.gz XNAGESCATISGEZ-BQBZGAKWSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@H]1CC[N@H+](CC(N)=O)[C@@H](C(N)=O)C1 334877710 346369288 /nfs/dbraw/zinc/36/92/88/346369288.db2.gz XNAGESCATISGEZ-NKWVEPMBSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C(N)=O)C1 334877710 346369291 /nfs/dbraw/zinc/36/92/91/346369291.db2.gz XNAGESCATISGEZ-NKWVEPMBSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccno2)C[C@@H](C)O1 334929762 346369501 /nfs/dbraw/zinc/36/95/01/346369501.db2.gz IJBUBMRYZNGZPV-DTORHVGOSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccno2)C[C@@H](C)O1 334929762 346369503 /nfs/dbraw/zinc/36/95/03/346369503.db2.gz IJBUBMRYZNGZPV-DTORHVGOSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 335038345 346375972 /nfs/dbraw/zinc/37/59/72/346375972.db2.gz JGYCURUGVWSGID-IUCAKERBSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 335038345 346375976 /nfs/dbraw/zinc/37/59/76/346375976.db2.gz JGYCURUGVWSGID-IUCAKERBSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 335038344 346376572 /nfs/dbraw/zinc/37/65/72/346376572.db2.gz JGYCURUGVWSGID-DTWKUNHWSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 335038344 346376574 /nfs/dbraw/zinc/37/65/74/346376574.db2.gz JGYCURUGVWSGID-DTWKUNHWSA-N 1 2 194.282 1.425 20 0 ADADLO CCC(=O)NCc1cc(C)[nH+]c(C)c1 335071449 346377239 /nfs/dbraw/zinc/37/72/39/346377239.db2.gz QPIMNUKVCSWMSS-UHFFFAOYSA-N 1 2 192.262 1.725 20 0 ADADLO CC(C)c1nc(N2CC(F)C2)cc[nH+]1 335110902 346379626 /nfs/dbraw/zinc/37/96/26/346379626.db2.gz KUGATUOYAMXCDT-UHFFFAOYSA-N 1 2 195.241 1.758 20 0 ADADLO Cc1cc(COc2cc[nH+]cc2)on1 335228852 346383847 /nfs/dbraw/zinc/38/38/47/346383847.db2.gz MUGGVCIRXPUAFL-UHFFFAOYSA-N 1 2 190.202 1.957 20 0 ADADLO Cc1nc(Cc2ccc[nH+]c2C)no1 335255772 346384717 /nfs/dbraw/zinc/38/47/17/346384717.db2.gz GTMNOFQMWYZTRK-UHFFFAOYSA-N 1 2 189.218 1.672 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@H]3CCC[C@H]32)o1 335294530 346386488 /nfs/dbraw/zinc/38/64/88/346386488.db2.gz BUEDZZUXSFXTJH-RKDXNWHRSA-N 1 2 193.250 1.362 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@H]3CCC[C@H]32)o1 335294530 346386490 /nfs/dbraw/zinc/38/64/90/346386490.db2.gz BUEDZZUXSFXTJH-RKDXNWHRSA-N 1 2 193.250 1.362 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@H]3CCC[C@@H]32)o1 335294522 346386573 /nfs/dbraw/zinc/38/65/73/346386573.db2.gz BUEDZZUXSFXTJH-BDAKNGLRSA-N 1 2 193.250 1.362 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@H]3CCC[C@@H]32)o1 335294522 346386574 /nfs/dbraw/zinc/38/65/74/346386574.db2.gz BUEDZZUXSFXTJH-BDAKNGLRSA-N 1 2 193.250 1.362 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@H]32)o1 335294528 346386597 /nfs/dbraw/zinc/38/65/97/346386597.db2.gz BUEDZZUXSFXTJH-DTWKUNHWSA-N 1 2 193.250 1.362 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@H]32)o1 335294528 346386599 /nfs/dbraw/zinc/38/65/99/346386599.db2.gz BUEDZZUXSFXTJH-DTWKUNHWSA-N 1 2 193.250 1.362 20 0 ADADLO Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)o1 335294529 346386777 /nfs/dbraw/zinc/38/67/77/346386777.db2.gz BUEDZZUXSFXTJH-IUCAKERBSA-N 1 2 193.250 1.362 20 0 ADADLO Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]32)o1 335294529 346386779 /nfs/dbraw/zinc/38/67/79/346386779.db2.gz BUEDZZUXSFXTJH-IUCAKERBSA-N 1 2 193.250 1.362 20 0 ADADLO CC[C@H]1CC[N@H+](Cc2noc(C)n2)C1 335295842 346387584 /nfs/dbraw/zinc/38/75/84/346387584.db2.gz WJQWRFUPLSXIDS-VIFPVBQESA-N 1 2 195.266 1.610 20 0 ADADLO CC[C@H]1CC[N@@H+](Cc2noc(C)n2)C1 335295842 346387586 /nfs/dbraw/zinc/38/75/86/346387586.db2.gz WJQWRFUPLSXIDS-VIFPVBQESA-N 1 2 195.266 1.610 20 0 ADADLO CC(C)c1nnc(C[NH+]2CCCC2)[nH]1 335297560 346387658 /nfs/dbraw/zinc/38/76/58/346387658.db2.gz HKBPIHOHQOYUIA-UHFFFAOYSA-N 1 2 194.282 1.524 20 0 ADADLO Cc1nc(C[N@@H+]2CCC(C)(C)C2)no1 335306543 346388043 /nfs/dbraw/zinc/38/80/43/346388043.db2.gz DQXLMUHCCAMVGO-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1nc(C[N@H+]2CCC(C)(C)C2)no1 335306543 346388045 /nfs/dbraw/zinc/38/80/45/346388045.db2.gz DQXLMUHCCAMVGO-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO CCc1nc(C[N@@H+]2CCC[C@@H]2C)no1 335307384 346388207 /nfs/dbraw/zinc/38/82/07/346388207.db2.gz QHVNXFBHHLHPOD-QMMMGPOBSA-N 1 2 195.266 1.616 20 0 ADADLO CCc1nc(C[N@H+]2CCC[C@@H]2C)no1 335307384 346388209 /nfs/dbraw/zinc/38/82/09/346388209.db2.gz QHVNXFBHHLHPOD-QMMMGPOBSA-N 1 2 195.266 1.616 20 0 ADADLO CCc1nc(C[N@@H+]2CCC[C@H]2C)no1 335307383 346388497 /nfs/dbraw/zinc/38/84/97/346388497.db2.gz QHVNXFBHHLHPOD-MRVPVSSYSA-N 1 2 195.266 1.616 20 0 ADADLO CCc1nc(C[N@H+]2CCC[C@H]2C)no1 335307383 346388499 /nfs/dbraw/zinc/38/84/99/346388499.db2.gz QHVNXFBHHLHPOD-MRVPVSSYSA-N 1 2 195.266 1.616 20 0 ADADLO CCCC(=O)N1CCn2c[nH+]cc2C1 335322599 346390460 /nfs/dbraw/zinc/39/04/60/346390460.db2.gz YHXIQIWKGAMNPM-UHFFFAOYSA-N 1 2 193.250 1.025 20 0 ADADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C(C)C 335343148 346391006 /nfs/dbraw/zinc/39/10/06/346391006.db2.gz PXIGBALNOWLEIY-UHFFFAOYSA-N 1 2 195.266 1.127 20 0 ADADLO CC[C@]1(O)CCN(c2cccc[nH+]2)C1 335337629 346391058 /nfs/dbraw/zinc/39/10/58/346391058.db2.gz TXZOQMGAZLJECV-NSHDSACASA-N 1 2 192.262 1.433 20 0 ADADLO Cc1[nH]ncc1C[NH2+]C1CC(C)(F)C1 335374997 346392873 /nfs/dbraw/zinc/39/28/73/346392873.db2.gz FOOATRNVEXMXCC-UHFFFAOYSA-N 1 2 197.257 1.698 20 0 ADADLO CC1(F)CC([NH2+]Cc2ccn[nH]2)C1 335375538 346393002 /nfs/dbraw/zinc/39/30/02/346393002.db2.gz LVDRSSJLMPPYFK-UHFFFAOYSA-N 1 2 183.230 1.390 20 0 ADADLO Cc1nc(N2CC[C@H](F)C2)cc[nH+]1 335398332 346394368 /nfs/dbraw/zinc/39/43/68/346394368.db2.gz JTCCUAVMDAUMGP-QMMMGPOBSA-N 1 2 181.214 1.333 20 0 ADADLO Cc1nc(N2CC[C@@H](F)C2)cc[nH+]1 335398331 346394470 /nfs/dbraw/zinc/39/44/70/346394470.db2.gz JTCCUAVMDAUMGP-MRVPVSSYSA-N 1 2 181.214 1.333 20 0 ADADLO CCn1nccc1C[N@@H+]1CC[C@@H](F)C1 335408273 346394932 /nfs/dbraw/zinc/39/49/32/346394932.db2.gz ZIBQTCCQHQNXMN-SECBINFHSA-N 1 2 197.257 1.447 20 0 ADADLO CCn1nccc1C[N@H+]1CC[C@@H](F)C1 335408273 346394935 /nfs/dbraw/zinc/39/49/35/346394935.db2.gz ZIBQTCCQHQNXMN-SECBINFHSA-N 1 2 197.257 1.447 20 0 ADADLO CCc1nocc1C[N@@H+]1CC[C@@H](F)C1 335408219 346395036 /nfs/dbraw/zinc/39/50/36/346395036.db2.gz YHCRDIOASNHNQY-SECBINFHSA-N 1 2 198.241 1.781 20 0 ADADLO CCc1nocc1C[N@H+]1CC[C@@H](F)C1 335408219 346395038 /nfs/dbraw/zinc/39/50/38/346395038.db2.gz YHCRDIOASNHNQY-SECBINFHSA-N 1 2 198.241 1.781 20 0 ADADLO Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)nc1 335406687 346395091 /nfs/dbraw/zinc/39/50/91/346395091.db2.gz LNLBWSXINKTTPC-SNVBAGLBSA-N 1 2 194.253 1.934 20 0 ADADLO Cc1ccc(C[N@H+]2CC[C@@H](F)C2)nc1 335406687 346395093 /nfs/dbraw/zinc/39/50/93/346395093.db2.gz LNLBWSXINKTTPC-SNVBAGLBSA-N 1 2 194.253 1.934 20 0 ADADLO Cc1cnn(C)c1C[N@@H+]1CC[C@H](F)C1 335406753 346395150 /nfs/dbraw/zinc/39/51/50/346395150.db2.gz OCYGEOIFACMLTB-VIFPVBQESA-N 1 2 197.257 1.272 20 0 ADADLO Cc1cnn(C)c1C[N@H+]1CC[C@H](F)C1 335406753 346395154 /nfs/dbraw/zinc/39/51/54/346395154.db2.gz OCYGEOIFACMLTB-VIFPVBQESA-N 1 2 197.257 1.272 20 0 ADADLO Cc1cnn(C)c1C[N@@H+]1CC[C@@H](F)C1 335406725 346395310 /nfs/dbraw/zinc/39/53/10/346395310.db2.gz OCYGEOIFACMLTB-SECBINFHSA-N 1 2 197.257 1.272 20 0 ADADLO Cc1cnn(C)c1C[N@H+]1CC[C@@H](F)C1 335406725 346395312 /nfs/dbraw/zinc/39/53/12/346395312.db2.gz OCYGEOIFACMLTB-SECBINFHSA-N 1 2 197.257 1.272 20 0 ADADLO CCn1nccc1C[N@@H+]1CC[C@H](F)C1 335408275 346395325 /nfs/dbraw/zinc/39/53/25/346395325.db2.gz ZIBQTCCQHQNXMN-VIFPVBQESA-N 1 2 197.257 1.447 20 0 ADADLO CCn1nccc1C[N@H+]1CC[C@H](F)C1 335408275 346395326 /nfs/dbraw/zinc/39/53/26/346395326.db2.gz ZIBQTCCQHQNXMN-VIFPVBQESA-N 1 2 197.257 1.447 20 0 ADADLO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)nc1 335406686 346395379 /nfs/dbraw/zinc/39/53/79/346395379.db2.gz LNLBWSXINKTTPC-JTQLQIEISA-N 1 2 194.253 1.934 20 0 ADADLO Cc1ccc(C[N@H+]2CC[C@H](F)C2)nc1 335406686 346395381 /nfs/dbraw/zinc/39/53/81/346395381.db2.gz LNLBWSXINKTTPC-JTQLQIEISA-N 1 2 194.253 1.934 20 0 ADADLO Cc1cnc(C[N@@H+]2CC[C@H](F)C2)cn1 335406764 346395401 /nfs/dbraw/zinc/39/54/01/346395401.db2.gz OMRGYWHSKAJSTH-VIFPVBQESA-N 1 2 195.241 1.329 20 0 ADADLO Cc1cnc(C[N@H+]2CC[C@H](F)C2)cn1 335406764 346395403 /nfs/dbraw/zinc/39/54/03/346395403.db2.gz OMRGYWHSKAJSTH-VIFPVBQESA-N 1 2 195.241 1.329 20 0 ADADLO CCc1nocc1C[N@@H+]1CC[C@H](F)C1 335408221 346395436 /nfs/dbraw/zinc/39/54/36/346395436.db2.gz YHCRDIOASNHNQY-VIFPVBQESA-N 1 2 198.241 1.781 20 0 ADADLO CCc1nocc1C[N@H+]1CC[C@H](F)C1 335408221 346395438 /nfs/dbraw/zinc/39/54/38/346395438.db2.gz YHCRDIOASNHNQY-VIFPVBQESA-N 1 2 198.241 1.781 20 0 ADADLO Cc1cnc(C[N@@H+]2CC[C@@H](F)C2)cn1 335406763 346395443 /nfs/dbraw/zinc/39/54/43/346395443.db2.gz OMRGYWHSKAJSTH-SECBINFHSA-N 1 2 195.241 1.329 20 0 ADADLO Cc1cnc(C[N@H+]2CC[C@@H](F)C2)cn1 335406763 346395444 /nfs/dbraw/zinc/39/54/44/346395444.db2.gz OMRGYWHSKAJSTH-SECBINFHSA-N 1 2 195.241 1.329 20 0 ADADLO C[C@H]1C[C@@H](Nc2cccc[nH+]2)CO1 335442007 346397868 /nfs/dbraw/zinc/39/78/68/346397868.db2.gz WXGVOVSVTDPOCY-DTWKUNHWSA-N 1 2 178.235 1.671 20 0 ADADLO C[C@H]1C[C@H](Nc2cccc[nH+]2)CO1 335442009 346397888 /nfs/dbraw/zinc/39/78/88/346397888.db2.gz WXGVOVSVTDPOCY-IUCAKERBSA-N 1 2 178.235 1.671 20 0 ADADLO Cc1cc(C[N@@H+](C)[C@H]2CCOC2)no1 335520753 346402237 /nfs/dbraw/zinc/40/22/37/346402237.db2.gz JTTJCHSBJINKHP-JTQLQIEISA-N 1 2 196.250 1.204 20 0 ADADLO Cc1cc(C[N@H+](C)[C@H]2CCOC2)no1 335520753 346402239 /nfs/dbraw/zinc/40/22/39/346402239.db2.gz JTTJCHSBJINKHP-JTQLQIEISA-N 1 2 196.250 1.204 20 0 ADADLO CCc1nc(C[NH+]2CCCCC2)no1 335521386 346402490 /nfs/dbraw/zinc/40/24/90/346402490.db2.gz VATIPSPVWINGFE-UHFFFAOYSA-N 1 2 195.266 1.618 20 0 ADADLO C[C@H]1CCCC[N@@H+]1Cc1csnn1 335550901 346404508 /nfs/dbraw/zinc/40/45/08/346404508.db2.gz FWYZZCRRILQLTQ-QMMMGPOBSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@H]1CCCC[N@H+]1Cc1csnn1 335550901 346404512 /nfs/dbraw/zinc/40/45/12/346404512.db2.gz FWYZZCRRILQLTQ-QMMMGPOBSA-N 1 2 197.307 1.913 20 0 ADADLO CC(C)[N@H+](C)Cc1csnn1 335552864 346404561 /nfs/dbraw/zinc/40/45/61/346404561.db2.gz LGPQFAFAISNIPI-UHFFFAOYSA-N 1 2 171.269 1.378 20 0 ADADLO CC(C)[N@@H+](C)Cc1csnn1 335552864 346404565 /nfs/dbraw/zinc/40/45/65/346404565.db2.gz LGPQFAFAISNIPI-UHFFFAOYSA-N 1 2 171.269 1.378 20 0 ADADLO CC1=CCC[N@H+](Cc2csnn2)C1 335555449 346404637 /nfs/dbraw/zinc/40/46/37/346404637.db2.gz MESKSVOTDTVSOF-UHFFFAOYSA-N 1 2 195.291 1.690 20 0 ADADLO CC1=CCC[N@@H+](Cc2csnn2)C1 335555449 346404638 /nfs/dbraw/zinc/40/46/38/346404638.db2.gz MESKSVOTDTVSOF-UHFFFAOYSA-N 1 2 195.291 1.690 20 0 ADADLO C[N@H+](Cc1csnn1)C1CCC1 335557543 346404672 /nfs/dbraw/zinc/40/46/72/346404672.db2.gz AANGEKXRXIZVBR-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO C[N@@H+](Cc1csnn1)C1CCC1 335557543 346404673 /nfs/dbraw/zinc/40/46/73/346404673.db2.gz AANGEKXRXIZVBR-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@H]1CC[N@H+](Cc2csnn2)C1 335557790 346405381 /nfs/dbraw/zinc/40/53/81/346405381.db2.gz WLAIJJGDTQDGQO-ZETCQYMHSA-N 1 2 183.280 1.380 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2csnn2)C1 335557790 346405384 /nfs/dbraw/zinc/40/53/84/346405384.db2.gz WLAIJJGDTQDGQO-ZETCQYMHSA-N 1 2 183.280 1.380 20 0 ADADLO CC1=CC[N@H+](Cc2cnns2)CC1 335569875 346405843 /nfs/dbraw/zinc/40/58/43/346405843.db2.gz JWXKPMYPFBIRRW-UHFFFAOYSA-N 1 2 195.291 1.690 20 0 ADADLO CC1=CC[N@@H+](Cc2cnns2)CC1 335569875 346405846 /nfs/dbraw/zinc/40/58/46/346405846.db2.gz JWXKPMYPFBIRRW-UHFFFAOYSA-N 1 2 195.291 1.690 20 0 ADADLO CC[C@]1(C)CC[N@H+](Cc2cnn[nH]2)C1 335585912 346407213 /nfs/dbraw/zinc/40/72/13/346407213.db2.gz GNSVEZAGPRKTRU-SNVBAGLBSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@]1(C)CC[N@H+](Cc2cnn[nH]2)C1 335585911 346407150 /nfs/dbraw/zinc/40/71/50/346407150.db2.gz GNSVEZAGPRKTRU-JTQLQIEISA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@]1(C)CC[N@@H+](Cc2cnn[nH]2)C1 335585911 346407152 /nfs/dbraw/zinc/40/71/52/346407152.db2.gz GNSVEZAGPRKTRU-JTQLQIEISA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@]1(C)CC[N@H+](Cc2cn[nH]n2)C1 335585911 346407155 /nfs/dbraw/zinc/40/71/55/346407155.db2.gz GNSVEZAGPRKTRU-JTQLQIEISA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@@]1(C)CC[N@@H+](Cc2cn[nH]n2)C1 335585911 346407156 /nfs/dbraw/zinc/40/71/56/346407156.db2.gz GNSVEZAGPRKTRU-JTQLQIEISA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@]1(C)CC[N@@H+](Cc2cnn[nH]2)C1 335585912 346407215 /nfs/dbraw/zinc/40/72/15/346407215.db2.gz GNSVEZAGPRKTRU-SNVBAGLBSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@]1(C)CC[N@H+](Cc2cn[nH]n2)C1 335585912 346407216 /nfs/dbraw/zinc/40/72/16/346407216.db2.gz GNSVEZAGPRKTRU-SNVBAGLBSA-N 1 2 194.282 1.427 20 0 ADADLO CC[C@]1(C)CC[N@@H+](Cc2cn[nH]n2)C1 335585912 346407218 /nfs/dbraw/zinc/40/72/18/346407218.db2.gz GNSVEZAGPRKTRU-SNVBAGLBSA-N 1 2 194.282 1.427 20 0 ADADLO CCn1cncc1C[N@H+]1CC[C@@H](F)C1 335650428 346411317 /nfs/dbraw/zinc/41/13/17/346411317.db2.gz OHYOEDDXAWTGGB-SECBINFHSA-N 1 2 197.257 1.447 20 0 ADADLO CC[C@@H]1COCC[N@@H+]1Cc1cc[nH]n1 335653600 346411618 /nfs/dbraw/zinc/41/16/18/346411618.db2.gz JRXNZPIGBGUZPO-SNVBAGLBSA-N 1 2 195.266 1.021 20 0 ADADLO CCn1cncc1C[N@@H+]1CC[C@H](F)C1 335650430 346411686 /nfs/dbraw/zinc/41/16/86/346411686.db2.gz OHYOEDDXAWTGGB-VIFPVBQESA-N 1 2 197.257 1.447 20 0 ADADLO CCn1cncc1C[N@H+]1CC[C@H](F)C1 335650430 346411688 /nfs/dbraw/zinc/41/16/88/346411688.db2.gz OHYOEDDXAWTGGB-VIFPVBQESA-N 1 2 197.257 1.447 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@H](F)C2)n(C)n1 335648593 346411696 /nfs/dbraw/zinc/41/16/96/346411696.db2.gz ARHSKCZYKZXWFW-VIFPVBQESA-N 1 2 197.257 1.272 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@H](F)C2)n(C)n1 335648593 346411698 /nfs/dbraw/zinc/41/16/98/346411698.db2.gz ARHSKCZYKZXWFW-VIFPVBQESA-N 1 2 197.257 1.272 20 0 ADADLO CC[C@H]1COCC[N@@H+]1Cc1cc[nH]n1 335653599 346411704 /nfs/dbraw/zinc/41/17/04/346411704.db2.gz JRXNZPIGBGUZPO-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@H]1COCC[N@H+]1Cc1cc[nH]n1 335653599 346411707 /nfs/dbraw/zinc/41/17/07/346411707.db2.gz JRXNZPIGBGUZPO-JTQLQIEISA-N 1 2 195.266 1.021 20 0 ADADLO Cc1ccc(Cc2noc(C)n2)c[nH+]1 335663994 346412156 /nfs/dbraw/zinc/41/21/56/346412156.db2.gz ZGBMZHUREKUYKK-UHFFFAOYSA-N 1 2 189.218 1.672 20 0 ADADLO Cc1cc(N2C[C@H](C)[C@@H](C)C2)nc[nH+]1 335676940 346412691 /nfs/dbraw/zinc/41/26/91/346412691.db2.gz WOQCXDJROKCZHN-IUCAKERBSA-N 1 2 191.278 1.877 20 0 ADADLO CN(c1cccc[nH+]1)[C@@H]1CCCOC1 335669664 346413137 /nfs/dbraw/zinc/41/31/37/346413137.db2.gz UKJNWSFQAPIZLH-SNVBAGLBSA-N 1 2 192.262 1.697 20 0 ADADLO CN(c1cccc[nH+]1)[C@H]1CCCOC1 335669663 346413206 /nfs/dbraw/zinc/41/32/06/346413206.db2.gz UKJNWSFQAPIZLH-JTQLQIEISA-N 1 2 192.262 1.697 20 0 ADADLO CN(c1cccc[nH+]1)[C@@H]1CCC[C@H]1O 335705210 346414384 /nfs/dbraw/zinc/41/43/84/346414384.db2.gz FNDNBRSOMBUIJN-NXEZZACHSA-N 1 2 192.262 1.431 20 0 ADADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1CC1(C)C 335695800 346414877 /nfs/dbraw/zinc/41/48/77/346414877.db2.gz NIAJXSOOMYJYFI-JTQLQIEISA-N 1 2 193.294 1.948 20 0 ADADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CC1(C)C 335695800 346414879 /nfs/dbraw/zinc/41/48/79/346414879.db2.gz NIAJXSOOMYJYFI-JTQLQIEISA-N 1 2 193.294 1.948 20 0 ADADLO Cc1ccc2c(c1)C[N@@H+](CC(N)=O)C2 335691945 346414962 /nfs/dbraw/zinc/41/49/62/346414962.db2.gz HMGINGPJOIZQQJ-UHFFFAOYSA-N 1 2 190.246 1.846 20 0 ADADLO Cc1ccc2c(c1)C[N@H+](CC(N)=O)C2 335691945 346414966 /nfs/dbraw/zinc/41/49/66/346414966.db2.gz HMGINGPJOIZQQJ-UHFFFAOYSA-N 1 2 190.246 1.846 20 0 ADADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CC1(C)C 335695802 346415027 /nfs/dbraw/zinc/41/50/27/346415027.db2.gz NIAJXSOOMYJYFI-SNVBAGLBSA-N 1 2 193.294 1.948 20 0 ADADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CC1(C)C 335695802 346415030 /nfs/dbraw/zinc/41/50/30/346415030.db2.gz NIAJXSOOMYJYFI-SNVBAGLBSA-N 1 2 193.294 1.948 20 0 ADADLO CC[C@@H]1C[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 335708445 346415609 /nfs/dbraw/zinc/41/56/09/346415609.db2.gz MGTVUDQMSKVDSR-HTQZYQBOSA-N 1 2 193.250 1.246 20 0 ADADLO CC1(O)CC[NH+](Cc2ccon2)CC1 335736686 346417043 /nfs/dbraw/zinc/41/70/43/346417043.db2.gz PCHMBBKSBSBBKX-UHFFFAOYSA-N 1 2 196.250 1.021 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)C1(C)CC1 335755858 346418439 /nfs/dbraw/zinc/41/84/39/346418439.db2.gz GQZQPQAYSMMFIJ-UHFFFAOYSA-N 1 2 190.246 1.551 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)[C@@H]1C=CCCC1 335764615 346418460 /nfs/dbraw/zinc/41/84/60/346418460.db2.gz SVTXVRKPDZNMDQ-SECBINFHSA-N 1 2 192.266 1.345 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)[C@@H]1C=CCCC1 335764615 346418462 /nfs/dbraw/zinc/41/84/62/346418462.db2.gz SVTXVRKPDZNMDQ-SECBINFHSA-N 1 2 192.266 1.345 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)[C@H]1C=CCCC1 335764616 346418555 /nfs/dbraw/zinc/41/85/55/346418555.db2.gz SVTXVRKPDZNMDQ-VIFPVBQESA-N 1 2 192.266 1.345 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)[C@H]1C=CCCC1 335764616 346418556 /nfs/dbraw/zinc/41/85/56/346418556.db2.gz SVTXVRKPDZNMDQ-VIFPVBQESA-N 1 2 192.266 1.345 20 0 ADADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)o1 335777132 346419361 /nfs/dbraw/zinc/41/93/61/346419361.db2.gz HSLGWOXPTIUXLD-VIFPVBQESA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)o1 335777132 346419364 /nfs/dbraw/zinc/41/93/64/346419364.db2.gz HSLGWOXPTIUXLD-VIFPVBQESA-N 1 2 195.262 1.809 20 0 ADADLO Cc1[nH]c(C(=O)NC(C)(C)CF)c[nH+]1 335775210 346419474 /nfs/dbraw/zinc/41/94/74/346419474.db2.gz STZNZDNDPWUWHS-UHFFFAOYSA-N 1 2 199.229 1.196 20 0 ADADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)o1 335777131 346419522 /nfs/dbraw/zinc/41/95/22/346419522.db2.gz HSLGWOXPTIUXLD-SECBINFHSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)o1 335777131 346419523 /nfs/dbraw/zinc/41/95/23/346419523.db2.gz HSLGWOXPTIUXLD-SECBINFHSA-N 1 2 195.262 1.809 20 0 ADADLO CCc1nnc(C[NH+]2CCCCC2)[nH]1 335770770 346419557 /nfs/dbraw/zinc/41/95/57/346419557.db2.gz RUQXMVKDMDXOAG-UHFFFAOYSA-N 1 2 194.282 1.353 20 0 ADADLO Cc1nnc(C[NH+]2[C@H](C)C[C@H]2C)n1C 335828236 346422586 /nfs/dbraw/zinc/42/25/86/346422586.db2.gz CZJPLUFSWFCICG-HTQZYQBOSA-N 1 2 194.282 1.106 20 0 ADADLO Cc1nnc(C[N@@H+]2[C@@H](C)C[C@H]2C)n1C 335828237 346422591 /nfs/dbraw/zinc/42/25/91/346422591.db2.gz CZJPLUFSWFCICG-OCAPTIKFSA-N 1 2 194.282 1.106 20 0 ADADLO Cc1nnc(C[N@H+]2[C@@H](C)C[C@H]2C)n1C 335828237 346422593 /nfs/dbraw/zinc/42/25/93/346422593.db2.gz CZJPLUFSWFCICG-OCAPTIKFSA-N 1 2 194.282 1.106 20 0 ADADLO Cc1nnc(C[NH+]2[C@@H](C)C[C@@H]2C)n1C 335828238 346422714 /nfs/dbraw/zinc/42/27/14/346422714.db2.gz CZJPLUFSWFCICG-YUMQZZPRSA-N 1 2 194.282 1.106 20 0 ADADLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCC2)C1 335825533 346422725 /nfs/dbraw/zinc/42/27/25/346422725.db2.gz BQGGPGPKAFYZFV-MRVPVSSYSA-N 1 2 198.266 1.165 20 0 ADADLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCC2)C1 335825533 346422726 /nfs/dbraw/zinc/42/27/26/346422726.db2.gz BQGGPGPKAFYZFV-MRVPVSSYSA-N 1 2 198.266 1.165 20 0 ADADLO C[C@H]1COCCN(c2cccc[nH+]2)C1 335873189 346424673 /nfs/dbraw/zinc/42/46/73/346424673.db2.gz CCVWZELQKYRJBM-SNVBAGLBSA-N 1 2 192.262 1.554 20 0 ADADLO CCc1c[nH+]ccc1NC(=O)C(C)C 335867495 346424841 /nfs/dbraw/zinc/42/48/41/346424841.db2.gz MDLVPOPVSYHSBI-UHFFFAOYSA-N 1 2 192.262 1.660 20 0 ADADLO Cc1cc(N2CC[C@](C)(F)C2)nc[nH+]1 335909695 346426768 /nfs/dbraw/zinc/42/67/68/346426768.db2.gz OPDCZMAIQAWUMG-JTQLQIEISA-N 1 2 195.241 1.723 20 0 ADADLO Cc1cc(N2CC[C@@](C)(F)C2)nc[nH+]1 335909696 346426898 /nfs/dbraw/zinc/42/68/98/346426898.db2.gz OPDCZMAIQAWUMG-SNVBAGLBSA-N 1 2 195.241 1.723 20 0 ADADLO Cc1n[nH]cc1C[N@@H+]1CCC=C(F)C1 335960849 346430310 /nfs/dbraw/zinc/43/03/10/346430310.db2.gz IXCONNSXRSLEAG-UHFFFAOYSA-N 1 2 195.241 1.777 20 0 ADADLO Cc1n[nH]cc1C[N@H+]1CCC=C(F)C1 335960849 346430312 /nfs/dbraw/zinc/43/03/12/346430312.db2.gz IXCONNSXRSLEAG-UHFFFAOYSA-N 1 2 195.241 1.777 20 0 ADADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)on1 336005814 346432395 /nfs/dbraw/zinc/43/23/95/346432395.db2.gz AOZYVTBDORGMER-SECBINFHSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)on1 336005814 346432397 /nfs/dbraw/zinc/43/23/97/346432397.db2.gz AOZYVTBDORGMER-SECBINFHSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1noc(C[N@@H+](C)[C@@H]2CC2(C)C)n1 336006155 346432467 /nfs/dbraw/zinc/43/24/67/346432467.db2.gz IFPVAVYRFFJBSG-MRVPVSSYSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1noc(C[N@H+](C)[C@@H]2CC2(C)C)n1 336006155 346432470 /nfs/dbraw/zinc/43/24/70/346432470.db2.gz IFPVAVYRFFJBSG-MRVPVSSYSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1nnc(C[N@@H+](C)[C@@H]2CC2(C)C)o1 336006116 346432503 /nfs/dbraw/zinc/43/25/03/346432503.db2.gz AEISQMGTUWYASS-MRVPVSSYSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1nnc(C[N@H+](C)[C@@H]2CC2(C)C)o1 336006116 346432506 /nfs/dbraw/zinc/43/25/06/346432506.db2.gz AEISQMGTUWYASS-MRVPVSSYSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1noc(C[N@@H+](C)[C@H]2CC2(C)C)n1 336006156 346432526 /nfs/dbraw/zinc/43/25/26/346432526.db2.gz IFPVAVYRFFJBSG-QMMMGPOBSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1noc(C[N@H+](C)[C@H]2CC2(C)C)n1 336006156 346432527 /nfs/dbraw/zinc/43/25/27/346432527.db2.gz IFPVAVYRFFJBSG-QMMMGPOBSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1nnc(C[N@@H+](C)[C@H]2CC2(C)C)o1 336006117 346432927 /nfs/dbraw/zinc/43/29/27/346432927.db2.gz AEISQMGTUWYASS-QMMMGPOBSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1nnc(C[N@H+](C)[C@H]2CC2(C)C)o1 336006117 346432928 /nfs/dbraw/zinc/43/29/28/346432928.db2.gz AEISQMGTUWYASS-QMMMGPOBSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1[nH]c(C(=O)NCC(C)(C)C)c[nH+]1 336028462 346434126 /nfs/dbraw/zinc/43/41/26/346434126.db2.gz UFRPSKBRHCAWQX-UHFFFAOYSA-N 1 2 195.266 1.494 20 0 ADADLO Cc1nc(N2C[C@H](C)[C@@H](C)C2)cc[nH+]1 336029892 346434171 /nfs/dbraw/zinc/43/41/71/346434171.db2.gz CQFHIZDZNKKTII-IUCAKERBSA-N 1 2 191.278 1.877 20 0 ADADLO Cc1nc(N2C[C@@H](C)[C@@H](C)C2)cc[nH+]1 336029890 346434247 /nfs/dbraw/zinc/43/42/47/346434247.db2.gz CQFHIZDZNKKTII-DTORHVGOSA-N 1 2 191.278 1.877 20 0 ADADLO Cc1nc(N2C[C@@H](C)[C@H](C)C2)cc[nH+]1 336029893 346434480 /nfs/dbraw/zinc/43/44/80/346434480.db2.gz CQFHIZDZNKKTII-RKDXNWHRSA-N 1 2 191.278 1.877 20 0 ADADLO C[C@H]1COCC[N@H+](Cc2ccon2)C1 336039306 346435091 /nfs/dbraw/zinc/43/50/91/346435091.db2.gz YXPPCKQEPRPARB-SECBINFHSA-N 1 2 196.250 1.143 20 0 ADADLO C[C@H]1COCC[N@@H+](Cc2ccon2)C1 336039306 346435093 /nfs/dbraw/zinc/43/50/93/346435093.db2.gz YXPPCKQEPRPARB-SECBINFHSA-N 1 2 196.250 1.143 20 0 ADADLO C[C@H]1OCC[N@H+](Cc2ccno2)[C@@H]1C 336086693 346437379 /nfs/dbraw/zinc/43/73/79/346437379.db2.gz OGEBZERMGGHLEG-RKDXNWHRSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1OCC[N@@H+](Cc2ccno2)[C@@H]1C 336086693 346437383 /nfs/dbraw/zinc/43/73/83/346437383.db2.gz OGEBZERMGGHLEG-RKDXNWHRSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1[C@@H](C)OCC[N@@H+]1Cc1ccno1 336086691 346437559 /nfs/dbraw/zinc/43/75/59/346437559.db2.gz OGEBZERMGGHLEG-DTWKUNHWSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@H]1[C@@H](C)OCC[N@H+]1Cc1ccno1 336086691 346437563 /nfs/dbraw/zinc/43/75/63/346437563.db2.gz OGEBZERMGGHLEG-DTWKUNHWSA-N 1 2 196.250 1.284 20 0 ADADLO CC1(C(=O)NCc2[nH]cc[nH+]2)CCC1 336106082 346438272 /nfs/dbraw/zinc/43/82/72/346438272.db2.gz SIKQWHBWSIGRKA-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CC1=CCC[N@@H+](Cc2nnc(C)[nH]2)C1 336125729 346439804 /nfs/dbraw/zinc/43/98/04/346439804.db2.gz WRMQVUGEAORIAN-UHFFFAOYSA-N 1 2 192.266 1.265 20 0 ADADLO CC1=CCC[N@H+](Cc2nnc(C)[nH]2)C1 336125729 346439805 /nfs/dbraw/zinc/43/98/05/346439805.db2.gz WRMQVUGEAORIAN-UHFFFAOYSA-N 1 2 192.266 1.265 20 0 ADADLO C[N@H+](Cc1nccs1)[C@H]1CCOC1 336147596 346440833 /nfs/dbraw/zinc/44/08/33/346440833.db2.gz DNUQBAKBHYNJCA-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO C[N@@H+](Cc1nccs1)[C@H]1CCOC1 336147596 346440834 /nfs/dbraw/zinc/44/08/34/346440834.db2.gz DNUQBAKBHYNJCA-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO C[N@H+](Cc1nccs1)[C@@H]1CCOC1 336147595 346440931 /nfs/dbraw/zinc/44/09/31/346440931.db2.gz DNUQBAKBHYNJCA-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO C[N@@H+](Cc1nccs1)[C@@H]1CCOC1 336147595 346440934 /nfs/dbraw/zinc/44/09/34/346440934.db2.gz DNUQBAKBHYNJCA-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO Cc1nc(N2CC(C)C2)c(C)c(C)[nH+]1 336148959 346440992 /nfs/dbraw/zinc/44/09/92/346440992.db2.gz XWLQLXULKRBSBN-UHFFFAOYSA-N 1 2 191.278 1.858 20 0 ADADLO C[NH+](C)Cc1nc([C@@H]2CC2(C)C)no1 336182555 346442446 /nfs/dbraw/zinc/44/24/46/346442446.db2.gz XVHOYTFXNRSKRW-ZETCQYMHSA-N 1 2 195.266 1.645 20 0 ADADLO C[NH+](C)Cc1nc([C@H]2CC2(C)C)no1 336182554 346442561 /nfs/dbraw/zinc/44/25/61/346442561.db2.gz XVHOYTFXNRSKRW-SSDOTTSWSA-N 1 2 195.266 1.645 20 0 ADADLO c1nn[nH]c1C[N@@H+]1CCC2(CCC2)C1 336191371 346443120 /nfs/dbraw/zinc/44/31/20/346443120.db2.gz KUFPDCHXCHJSNP-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1nn[nH]c1C[N@H+]1CCC2(CCC2)C1 336191371 346443122 /nfs/dbraw/zinc/44/31/22/346443122.db2.gz KUFPDCHXCHJSNP-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1[nH]nnc1C[N@@H+]1CCC2(CCC2)C1 336191371 346443124 /nfs/dbraw/zinc/44/31/24/346443124.db2.gz KUFPDCHXCHJSNP-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1[nH]nnc1C[N@H+]1CCC2(CCC2)C1 336191371 346443126 /nfs/dbraw/zinc/44/31/26/346443126.db2.gz KUFPDCHXCHJSNP-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1n[nH]nc1C[N@H+]1CCC2(CCC2)C1 336191371 346443130 /nfs/dbraw/zinc/44/31/30/346443130.db2.gz KUFPDCHXCHJSNP-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO C[C@@H](c1csnn1)[NH+]1CCCC1 336189735 346443176 /nfs/dbraw/zinc/44/31/76/346443176.db2.gz NABTWBNYULZTMV-ZETCQYMHSA-N 1 2 183.280 1.695 20 0 ADADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)C[C@@H]1C 336197552 346443857 /nfs/dbraw/zinc/44/38/57/346443857.db2.gz ULRSUIAPBFWZGB-IUCAKERBSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@@H]1C 336197552 346443859 /nfs/dbraw/zinc/44/38/59/346443859.db2.gz ULRSUIAPBFWZGB-IUCAKERBSA-N 1 2 194.282 1.283 20 0 ADADLO CC1(C)CC[NH+](Cc2c[nH]nn2)CC1 336194415 346444015 /nfs/dbraw/zinc/44/40/15/346444015.db2.gz QTVNIWWCAOJEPK-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CC[NH+](Cc2cnn[nH]2)CC1 336194415 346444019 /nfs/dbraw/zinc/44/40/19/346444019.db2.gz QTVNIWWCAOJEPK-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CC[NH+](Cc2cn[nH]n2)CC1 336194415 346444022 /nfs/dbraw/zinc/44/40/22/346444022.db2.gz QTVNIWWCAOJEPK-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CC[N@H+](Cc2cnn[nH]2)C1 336192689 346444157 /nfs/dbraw/zinc/44/41/57/346444157.db2.gz XIUKYMHVVUPDND-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC1(C)CC[N@@H+](Cc2cnn[nH]2)C1 336192689 346444161 /nfs/dbraw/zinc/44/41/61/346444161.db2.gz XIUKYMHVVUPDND-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC1(C)CC[N@H+](Cc2c[nH]nn2)C1 336192689 346444166 /nfs/dbraw/zinc/44/41/66/346444166.db2.gz XIUKYMHVVUPDND-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC1(C)CC[N@@H+](Cc2c[nH]nn2)C1 336192689 346444169 /nfs/dbraw/zinc/44/41/69/346444169.db2.gz XIUKYMHVVUPDND-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC1(C)CC[N@H+](Cc2cn[nH]n2)C1 336192689 346444172 /nfs/dbraw/zinc/44/41/72/346444172.db2.gz XIUKYMHVVUPDND-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO Cc1[nH]c(C(=O)NCC2(C)CC2)c[nH+]1 336193857 346444196 /nfs/dbraw/zinc/44/41/96/346444196.db2.gz UTFFQTWAOVSTHG-UHFFFAOYSA-N 1 2 193.250 1.248 20 0 ADADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)C[C@H]1C 336197551 346444230 /nfs/dbraw/zinc/44/42/30/346444230.db2.gz ULRSUIAPBFWZGB-DTWKUNHWSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)C[C@H]1C 336197551 346444231 /nfs/dbraw/zinc/44/42/31/346444231.db2.gz ULRSUIAPBFWZGB-DTWKUNHWSA-N 1 2 194.282 1.283 20 0 ADADLO CC1(C)CCC[N@H+](Cc2cnn[nH]2)C1 336201954 346445065 /nfs/dbraw/zinc/44/50/65/346445065.db2.gz UHJCXZUFKBQMGA-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CCC[N@@H+](Cc2cnn[nH]2)C1 336201954 346445067 /nfs/dbraw/zinc/44/50/67/346445067.db2.gz UHJCXZUFKBQMGA-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CCC[N@H+](Cc2c[nH]nn2)C1 336201954 346445070 /nfs/dbraw/zinc/44/50/70/346445070.db2.gz UHJCXZUFKBQMGA-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CCC[N@@H+](Cc2c[nH]nn2)C1 336201954 346445072 /nfs/dbraw/zinc/44/50/72/346445072.db2.gz UHJCXZUFKBQMGA-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CCC[N@H+](Cc2cn[nH]n2)C1 336201954 346445075 /nfs/dbraw/zinc/44/50/75/346445075.db2.gz UHJCXZUFKBQMGA-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC1(C)CCC[N@@H+](Cc2cn[nH]n2)C1 336201954 346445078 /nfs/dbraw/zinc/44/50/78/346445078.db2.gz UHJCXZUFKBQMGA-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CCn1cc(C[N@@H+]2CC[C@H](F)C2)cn1 336223202 346445811 /nfs/dbraw/zinc/44/58/11/346445811.db2.gz JXBIYLFYTHGEHI-JTQLQIEISA-N 1 2 197.257 1.447 20 0 ADADLO CCn1cc(C[N@H+]2CC[C@H](F)C2)cn1 336223202 346445812 /nfs/dbraw/zinc/44/58/12/346445812.db2.gz JXBIYLFYTHGEHI-JTQLQIEISA-N 1 2 197.257 1.447 20 0 ADADLO CCn1cc(C[N@@H+]2CC[C@@H](F)C2)cn1 336223203 346445906 /nfs/dbraw/zinc/44/59/06/346445906.db2.gz JXBIYLFYTHGEHI-SNVBAGLBSA-N 1 2 197.257 1.447 20 0 ADADLO CCn1cc(C[N@H+]2CC[C@@H](F)C2)cn1 336223203 346445909 /nfs/dbraw/zinc/44/59/09/346445909.db2.gz JXBIYLFYTHGEHI-SNVBAGLBSA-N 1 2 197.257 1.447 20 0 ADADLO Cc1noc(C)c1C[N@H+]1CC[C@H](F)C1 336223008 346446026 /nfs/dbraw/zinc/44/60/26/346446026.db2.gz ZWNHJOQGZZHALO-VIFPVBQESA-N 1 2 198.241 1.835 20 0 ADADLO CCn1cc[nH+]c1CN1CC[C@H](F)C1 336223118 346445948 /nfs/dbraw/zinc/44/59/48/346445948.db2.gz DTPAFVFYYBWFRK-VIFPVBQESA-N 1 2 197.257 1.447 20 0 ADADLO Cc1noc(C)c1C[N@@H+]1CC[C@@H](F)C1 336223006 346445977 /nfs/dbraw/zinc/44/59/77/346445977.db2.gz ZWNHJOQGZZHALO-SECBINFHSA-N 1 2 198.241 1.835 20 0 ADADLO Cc1noc(C)c1C[N@H+]1CC[C@@H](F)C1 336223006 346445981 /nfs/dbraw/zinc/44/59/81/346445981.db2.gz ZWNHJOQGZZHALO-SECBINFHSA-N 1 2 198.241 1.835 20 0 ADADLO Cc1ncc(C[N@@H+]2CC[C@@H](F)C2)cn1 336222760 346446014 /nfs/dbraw/zinc/44/60/14/346446014.db2.gz HYMQUXYCOHXPTG-SNVBAGLBSA-N 1 2 195.241 1.329 20 0 ADADLO Cc1ncc(C[N@H+]2CC[C@@H](F)C2)cn1 336222760 346446017 /nfs/dbraw/zinc/44/60/17/346446017.db2.gz HYMQUXYCOHXPTG-SNVBAGLBSA-N 1 2 195.241 1.329 20 0 ADADLO Cc1noc(C)c1C[N@@H+]1CC[C@H](F)C1 336223008 346446024 /nfs/dbraw/zinc/44/60/24/346446024.db2.gz ZWNHJOQGZZHALO-VIFPVBQESA-N 1 2 198.241 1.835 20 0 ADADLO Cc1ncc(C[N@@H+]2CC[C@H](F)C2)cn1 336222759 346446232 /nfs/dbraw/zinc/44/62/32/346446232.db2.gz HYMQUXYCOHXPTG-JTQLQIEISA-N 1 2 195.241 1.329 20 0 ADADLO Cc1ncc(C[N@H+]2CC[C@H](F)C2)cn1 336222759 346446233 /nfs/dbraw/zinc/44/62/33/346446233.db2.gz HYMQUXYCOHXPTG-JTQLQIEISA-N 1 2 195.241 1.329 20 0 ADADLO CCn1cc[nH+]c1CN1CC[C@@H](F)C1 336223117 346446365 /nfs/dbraw/zinc/44/63/65/346446365.db2.gz DTPAFVFYYBWFRK-SECBINFHSA-N 1 2 197.257 1.447 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@@H](F)C2)on1 336259567 346448533 /nfs/dbraw/zinc/44/85/33/346448533.db2.gz MMPWHLPHXDMYAB-MRVPVSSYSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@@H](F)C2)on1 336259567 346448535 /nfs/dbraw/zinc/44/85/35/346448535.db2.gz MMPWHLPHXDMYAB-MRVPVSSYSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@H](F)C2)on1 336259568 346448952 /nfs/dbraw/zinc/44/89/52/346448952.db2.gz MMPWHLPHXDMYAB-QMMMGPOBSA-N 1 2 184.214 1.527 20 0 ADADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)on1 336262557 346449106 /nfs/dbraw/zinc/44/91/06/346449106.db2.gz AOZYVTBDORGMER-VIFPVBQESA-N 1 2 196.250 1.204 20 0 ADADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)on1 336262557 346449108 /nfs/dbraw/zinc/44/91/08/346449108.db2.gz AOZYVTBDORGMER-VIFPVBQESA-N 1 2 196.250 1.204 20 0 ADADLO CCc1nc(C[N@@H+]2CC[C@H](C)C2)no1 336265159 346449476 /nfs/dbraw/zinc/44/94/76/346449476.db2.gz HUCFKNSJKMWJQP-QMMMGPOBSA-N 1 2 195.266 1.474 20 0 ADADLO CCc1nc(C[N@H+]2CC[C@H](C)C2)no1 336265159 346449479 /nfs/dbraw/zinc/44/94/79/346449479.db2.gz HUCFKNSJKMWJQP-QMMMGPOBSA-N 1 2 195.266 1.474 20 0 ADADLO Cc1cnc(C[N@@H+]2CCCOCC2)o1 336264879 346449590 /nfs/dbraw/zinc/44/95/90/346449590.db2.gz BTJKPGNLFAMRPC-UHFFFAOYSA-N 1 2 196.250 1.205 20 0 ADADLO Cc1cnc(C[N@H+]2CCCOCC2)o1 336264879 346449593 /nfs/dbraw/zinc/44/95/93/346449593.db2.gz BTJKPGNLFAMRPC-UHFFFAOYSA-N 1 2 196.250 1.205 20 0 ADADLO CCc1nc(C[N@@H+]2CC[C@@H](C)C2)no1 336265158 346450249 /nfs/dbraw/zinc/45/02/49/346450249.db2.gz HUCFKNSJKMWJQP-MRVPVSSYSA-N 1 2 195.266 1.474 20 0 ADADLO CCc1nc(C[N@H+]2CC[C@@H](C)C2)no1 336265158 346450252 /nfs/dbraw/zinc/45/02/52/346450252.db2.gz HUCFKNSJKMWJQP-MRVPVSSYSA-N 1 2 195.266 1.474 20 0 ADADLO Cc1nc(N2C[C@H](F)[C@H](F)C2)cc[nH+]1 336268041 346450727 /nfs/dbraw/zinc/45/07/27/346450727.db2.gz NKADXHQPOCQHLD-OCAPTIKFSA-N 1 2 199.204 1.281 20 0 ADADLO Cc1cc(N2C[C@H](F)[C@H](F)C2)nc[nH+]1 336268130 346450827 /nfs/dbraw/zinc/45/08/27/346450827.db2.gz XJGKADCEYWZYTM-OCAPTIKFSA-N 1 2 199.204 1.281 20 0 ADADLO Cc1nnc(C[N@@H+](C)[C@H]2CC2(C)C)[nH]1 336276390 346451216 /nfs/dbraw/zinc/45/12/16/346451216.db2.gz NVLGDJOLTNLNAR-QMMMGPOBSA-N 1 2 194.282 1.343 20 0 ADADLO Cc1nnc(C[N@H+](C)[C@H]2CC2(C)C)[nH]1 336276390 346451218 /nfs/dbraw/zinc/45/12/18/346451218.db2.gz NVLGDJOLTNLNAR-QMMMGPOBSA-N 1 2 194.282 1.343 20 0 ADADLO Cc1nnc(C[N@H+](C)[C@@H]2CC2(C)C)[nH]1 336276389 346451260 /nfs/dbraw/zinc/45/12/60/346451260.db2.gz NVLGDJOLTNLNAR-MRVPVSSYSA-N 1 2 194.282 1.343 20 0 ADADLO CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CC1 336295503 346452708 /nfs/dbraw/zinc/45/27/08/346452708.db2.gz INTOHEURIBFPPV-UHFFFAOYSA-N 1 2 193.250 1.391 20 0 ADADLO C[NH+](C)Cc1nc(C2CC2)no1 336333056 346454916 /nfs/dbraw/zinc/45/49/16/346454916.db2.gz CPMPTDNIGUJOFY-UHFFFAOYSA-N 1 2 167.212 1.009 20 0 ADADLO CCC(=O)Nc1ccn2cc[nH+]c2c1 336340807 346455819 /nfs/dbraw/zinc/45/58/19/346455819.db2.gz MZAVZEGPLKAHEH-UHFFFAOYSA-N 1 2 189.218 1.683 20 0 ADADLO Cc1noc(C)c1CCn1cc[nH+]c1 336355349 346457749 /nfs/dbraw/zinc/45/77/49/346457749.db2.gz FANBOPGEQYXXSF-UHFFFAOYSA-N 1 2 191.234 1.731 20 0 ADADLO CC[C@H](C)C(=O)Nc1cc[nH+]cc1O 336374091 346459393 /nfs/dbraw/zinc/45/93/93/346459393.db2.gz ATFGNKJLYPFIBD-ZETCQYMHSA-N 1 2 194.234 1.194 20 0 ADADLO Cc1cnc(COc2cc[nH+]cc2)o1 336421237 346461775 /nfs/dbraw/zinc/46/17/75/346461775.db2.gz ZWWYWDQTHBCPPH-UHFFFAOYSA-N 1 2 190.202 1.957 20 0 ADADLO Cc1nc(N2CC[C@](C)(F)C2)cc[nH+]1 336434568 346462585 /nfs/dbraw/zinc/46/25/85/346462585.db2.gz HKNQRYPTQZVNEX-JTQLQIEISA-N 1 2 195.241 1.723 20 0 ADADLO Cc1cnc(C[N@@H+]2CC[C@](C)(F)C2)o1 336437500 346462740 /nfs/dbraw/zinc/46/27/40/346462740.db2.gz UGUVJDFOANROCZ-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cnc(C[N@H+]2CC[C@](C)(F)C2)o1 336437500 346462745 /nfs/dbraw/zinc/46/27/45/346462745.db2.gz UGUVJDFOANROCZ-JTQLQIEISA-N 1 2 198.241 1.917 20 0 ADADLO Cc1nc(N2CC[C@@](C)(F)C2)cc[nH+]1 336434569 346462778 /nfs/dbraw/zinc/46/27/78/346462778.db2.gz HKNQRYPTQZVNEX-SNVBAGLBSA-N 1 2 195.241 1.723 20 0 ADADLO C[N@H+](Cc1ncccn1)[C@@H]1CC1(C)C 336453715 346463660 /nfs/dbraw/zinc/46/36/60/346463660.db2.gz GIAOHYIULIENLA-SECBINFHSA-N 1 2 191.278 1.707 20 0 ADADLO C[N@@H+](Cc1ncccn1)[C@@H]1CC1(C)C 336453715 346463663 /nfs/dbraw/zinc/46/36/63/346463663.db2.gz GIAOHYIULIENLA-SECBINFHSA-N 1 2 191.278 1.707 20 0 ADADLO C[N@H+](Cc1ncccn1)[C@H]1CC1(C)C 336453716 346463690 /nfs/dbraw/zinc/46/36/90/346463690.db2.gz GIAOHYIULIENLA-VIFPVBQESA-N 1 2 191.278 1.707 20 0 ADADLO C[N@@H+](Cc1ncccn1)[C@H]1CC1(C)C 336453716 346463693 /nfs/dbraw/zinc/46/36/93/346463693.db2.gz GIAOHYIULIENLA-VIFPVBQESA-N 1 2 191.278 1.707 20 0 ADADLO Cn1ncnc1C[N@H+](C)[C@@H]1CC1(C)C 336461458 346464306 /nfs/dbraw/zinc/46/43/06/346464306.db2.gz FWSZBQHEPFEHON-MRVPVSSYSA-N 1 2 194.282 1.045 20 0 ADADLO Cn1ncnc1C[N@@H+](C)[C@@H]1CC1(C)C 336461458 346464309 /nfs/dbraw/zinc/46/43/09/346464309.db2.gz FWSZBQHEPFEHON-MRVPVSSYSA-N 1 2 194.282 1.045 20 0 ADADLO Cc1ccoc1C[N@H+]1CCOC[C@H]1C 336459684 346464437 /nfs/dbraw/zinc/46/44/37/346464437.db2.gz SWDULERCFILCOX-SNVBAGLBSA-N 1 2 195.262 1.809 20 0 ADADLO Cc1ccoc1C[N@@H+]1CCOC[C@H]1C 336459684 346464438 /nfs/dbraw/zinc/46/44/38/346464438.db2.gz SWDULERCFILCOX-SNVBAGLBSA-N 1 2 195.262 1.809 20 0 ADADLO Cn1ncnc1C[N@H+](C)[C@H]1CC1(C)C 336461459 346464479 /nfs/dbraw/zinc/46/44/79/346464479.db2.gz FWSZBQHEPFEHON-QMMMGPOBSA-N 1 2 194.282 1.045 20 0 ADADLO Cn1ncnc1C[N@@H+](C)[C@H]1CC1(C)C 336461459 346464480 /nfs/dbraw/zinc/46/44/80/346464480.db2.gz FWSZBQHEPFEHON-QMMMGPOBSA-N 1 2 194.282 1.045 20 0 ADADLO CC[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 336488938 346467209 /nfs/dbraw/zinc/46/72/09/346467209.db2.gz XMSOSZNWDDJTCD-QMMMGPOBSA-N 1 2 192.262 1.797 20 0 ADADLO Cn1cc(C[N@H+](C)[C@@H]2CC2(C)C)nn1 336504163 346468183 /nfs/dbraw/zinc/46/81/83/346468183.db2.gz ZACCDOCANBTXKM-SECBINFHSA-N 1 2 194.282 1.045 20 0 ADADLO Cn1cc(C[N@@H+](C)[C@@H]2CC2(C)C)nn1 336504163 346468185 /nfs/dbraw/zinc/46/81/85/346468185.db2.gz ZACCDOCANBTXKM-SECBINFHSA-N 1 2 194.282 1.045 20 0 ADADLO Cn1cc(C[N@H+](C)[C@H]2CC2(C)C)nn1 336504164 346468401 /nfs/dbraw/zinc/46/84/01/346468401.db2.gz ZACCDOCANBTXKM-VIFPVBQESA-N 1 2 194.282 1.045 20 0 ADADLO Cn1cc(C[N@@H+](C)[C@H]2CC2(C)C)nn1 336504164 346468403 /nfs/dbraw/zinc/46/84/03/346468403.db2.gz ZACCDOCANBTXKM-VIFPVBQESA-N 1 2 194.282 1.045 20 0 ADADLO CC[C@H]1CC[N@@H+]1Cc1nnc(C)n1C 336514822 346468854 /nfs/dbraw/zinc/46/88/54/346468854.db2.gz KQRRSUYUJNDGKB-VIFPVBQESA-N 1 2 194.282 1.108 20 0 ADADLO CC[C@H]1CC[N@H+]1Cc1nnc(C)n1C 336514822 346468859 /nfs/dbraw/zinc/46/88/59/346468859.db2.gz KQRRSUYUJNDGKB-VIFPVBQESA-N 1 2 194.282 1.108 20 0 ADADLO CC[C@@H]1CC[N@@H+]1Cc1nnc(C)n1C 336514821 346468929 /nfs/dbraw/zinc/46/89/29/346468929.db2.gz KQRRSUYUJNDGKB-SECBINFHSA-N 1 2 194.282 1.108 20 0 ADADLO CC[C@@H]1CC[N@H+]1Cc1nnc(C)n1C 336514821 346468930 /nfs/dbraw/zinc/46/89/30/346468930.db2.gz KQRRSUYUJNDGKB-SECBINFHSA-N 1 2 194.282 1.108 20 0 ADADLO Cc1cc(N2CCC2)nc(C2CC2)[nH+]1 336534457 346469612 /nfs/dbraw/zinc/46/96/12/346469612.db2.gz ZBELMJDSQBMHTH-UHFFFAOYSA-N 1 2 189.262 1.873 20 0 ADADLO CN(CC1(O)CCC1)c1cccc[nH+]1 336532460 346469707 /nfs/dbraw/zinc/46/97/07/346469707.db2.gz IKDNBCXJNIQSRA-UHFFFAOYSA-N 1 2 192.262 1.433 20 0 ADADLO CC[C@@H](F)C[N@@H+]1CCn2ccnc2C1 336551309 346470486 /nfs/dbraw/zinc/47/04/86/346470486.db2.gz FKTSZXYLUVLOJL-SECBINFHSA-N 1 2 197.257 1.447 20 0 ADADLO CC[C@@H](F)C[N@H+]1CCn2ccnc2C1 336551309 346470489 /nfs/dbraw/zinc/47/04/89/346470489.db2.gz FKTSZXYLUVLOJL-SECBINFHSA-N 1 2 197.257 1.447 20 0 ADADLO C[NH+](C)Cc1nc(C(C)(C)C)no1 336552326 346470978 /nfs/dbraw/zinc/47/09/78/346470978.db2.gz FXCSJXLOEHMGNY-UHFFFAOYSA-N 1 2 183.255 1.429 20 0 ADADLO CC[C@H](F)C[N@@H+]1CCn2ccnc2C1 336551310 346471005 /nfs/dbraw/zinc/47/10/05/346471005.db2.gz FKTSZXYLUVLOJL-VIFPVBQESA-N 1 2 197.257 1.447 20 0 ADADLO CC[C@H](F)C[N@H+]1CCn2ccnc2C1 336551310 346471007 /nfs/dbraw/zinc/47/10/07/346471007.db2.gz FKTSZXYLUVLOJL-VIFPVBQESA-N 1 2 197.257 1.447 20 0 ADADLO C[N@H+](Cc1cscn1)[C@H]1CCOC1 336553656 346472002 /nfs/dbraw/zinc/47/20/02/346472002.db2.gz NHHSNJFNVKZMOZ-VIFPVBQESA-N 1 2 198.291 1.364 20 0 ADADLO C[N@@H+](Cc1cscn1)[C@H]1CCOC1 336553656 346472006 /nfs/dbraw/zinc/47/20/06/346472006.db2.gz NHHSNJFNVKZMOZ-VIFPVBQESA-N 1 2 198.291 1.364 20 0 ADADLO C[N@H+](Cc1cscn1)[C@@H]1CCOC1 336553655 346472641 /nfs/dbraw/zinc/47/26/41/346472641.db2.gz NHHSNJFNVKZMOZ-SECBINFHSA-N 1 2 198.291 1.364 20 0 ADADLO C[N@@H+](Cc1cscn1)[C@@H]1CCOC1 336553655 346472644 /nfs/dbraw/zinc/47/26/44/346472644.db2.gz NHHSNJFNVKZMOZ-SECBINFHSA-N 1 2 198.291 1.364 20 0 ADADLO Cc1nc(C[N@@H+](C)C2CCCC2)no1 336554697 346473484 /nfs/dbraw/zinc/47/34/84/346473484.db2.gz BRJMFTKWKJZXBF-UHFFFAOYSA-N 1 2 195.266 1.752 20 0 ADADLO Cc1nc(C[N@H+](C)C2CCCC2)no1 336554697 346473487 /nfs/dbraw/zinc/47/34/87/346473487.db2.gz BRJMFTKWKJZXBF-UHFFFAOYSA-N 1 2 195.266 1.752 20 0 ADADLO CC1=CC[N@H+](Cc2nnc(C)o2)CC1 336555703 346474059 /nfs/dbraw/zinc/47/40/59/346474059.db2.gz ZVIDEPGJUOEZIE-UHFFFAOYSA-N 1 2 193.250 1.530 20 0 ADADLO CC1=CC[N@@H+](Cc2nnc(C)o2)CC1 336555703 346474063 /nfs/dbraw/zinc/47/40/63/346474063.db2.gz ZVIDEPGJUOEZIE-UHFFFAOYSA-N 1 2 193.250 1.530 20 0 ADADLO Cc1nc(C[N@H+]2CCCC[C@@H]2C)no1 336554847 346474107 /nfs/dbraw/zinc/47/41/07/346474107.db2.gz FQWCCZQAUHFEPH-QMMMGPOBSA-N 1 2 195.266 1.752 20 0 ADADLO Cc1nc(C[N@@H+]2CCCC[C@@H]2C)no1 336554847 346474110 /nfs/dbraw/zinc/47/41/10/346474110.db2.gz FQWCCZQAUHFEPH-QMMMGPOBSA-N 1 2 195.266 1.752 20 0 ADADLO Cc1nc(C[NH+]2CCC(C)CC2)no1 336554884 346474142 /nfs/dbraw/zinc/47/41/42/346474142.db2.gz SLTYPALMCDIZBM-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCOC2)o1 336555202 346474166 /nfs/dbraw/zinc/47/41/66/346474166.db2.gz YWOGXTFNWUNNLG-SECBINFHSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1cnc(C[N@H+](C)[C@@H]2CCOC2)o1 336555202 346474167 /nfs/dbraw/zinc/47/41/67/346474167.db2.gz YWOGXTFNWUNNLG-SECBINFHSA-N 1 2 196.250 1.204 20 0 ADADLO Cc1cc(C[N@@H+]2CCCOCC2)no1 336555524 346474333 /nfs/dbraw/zinc/47/43/33/346474333.db2.gz XBMZFFZBXDJXDZ-UHFFFAOYSA-N 1 2 196.250 1.205 20 0 ADADLO Cc1cc(C[N@H+]2CCCOCC2)no1 336555524 346474336 /nfs/dbraw/zinc/47/43/36/346474336.db2.gz XBMZFFZBXDJXDZ-UHFFFAOYSA-N 1 2 196.250 1.205 20 0 ADADLO Cc1nc(C[N@H+]2CCCC[C@H]2C)no1 336554846 346474396 /nfs/dbraw/zinc/47/43/96/346474396.db2.gz FQWCCZQAUHFEPH-MRVPVSSYSA-N 1 2 195.266 1.752 20 0 ADADLO Cc1nc(C[N@@H+]2CCCC[C@H]2C)no1 336554846 346474398 /nfs/dbraw/zinc/47/43/98/346474398.db2.gz FQWCCZQAUHFEPH-MRVPVSSYSA-N 1 2 195.266 1.752 20 0 ADADLO CC1=CC[N@H+](Cc2nc(C)no2)CC1 336555668 346474524 /nfs/dbraw/zinc/47/45/24/346474524.db2.gz QNYXFDRIRYUILV-UHFFFAOYSA-N 1 2 193.250 1.530 20 0 ADADLO CC1=CC[N@@H+](Cc2nc(C)no2)CC1 336555668 346474529 /nfs/dbraw/zinc/47/45/29/346474529.db2.gz QNYXFDRIRYUILV-UHFFFAOYSA-N 1 2 193.250 1.530 20 0 ADADLO Cc1cnc(C[N@@H+](C)[C@H]2CCOC2)o1 336555203 346474558 /nfs/dbraw/zinc/47/45/58/346474558.db2.gz YWOGXTFNWUNNLG-VIFPVBQESA-N 1 2 196.250 1.204 20 0 ADADLO Cc1cnc(C[N@H+](C)[C@H]2CCOC2)o1 336555203 346474561 /nfs/dbraw/zinc/47/45/61/346474561.db2.gz YWOGXTFNWUNNLG-VIFPVBQESA-N 1 2 196.250 1.204 20 0 ADADLO Cn1ccnc1C[N@H+](C)C1CC1 336555751 346475294 /nfs/dbraw/zinc/47/52/94/346475294.db2.gz MLGLLWUQZXZMLF-UHFFFAOYSA-N 1 2 165.240 1.014 20 0 ADADLO Cn1ccnc1C[N@@H+](C)C1CC1 336555751 346475296 /nfs/dbraw/zinc/47/52/96/346475296.db2.gz MLGLLWUQZXZMLF-UHFFFAOYSA-N 1 2 165.240 1.014 20 0 ADADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)[C@H](C)CO1 336576157 346475972 /nfs/dbraw/zinc/47/59/72/346475972.db2.gz BVDHJZJYAYYOGK-BDAKNGLRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1C[N@H+](Cc2cc[nH]n2)[C@@H](C)CO1 336576160 346476381 /nfs/dbraw/zinc/47/63/81/346476381.db2.gz BVDHJZJYAYYOGK-IUCAKERBSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1C[N@@H+](Cc2cc[nH]n2)[C@@H](C)CO1 336576160 346476382 /nfs/dbraw/zinc/47/63/82/346476382.db2.gz BVDHJZJYAYYOGK-IUCAKERBSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc[nH]n1 336576158 346476423 /nfs/dbraw/zinc/47/64/23/346476423.db2.gz BVDHJZJYAYYOGK-DTWKUNHWSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@H+]1Cc1cc[nH]n1 336576158 346476426 /nfs/dbraw/zinc/47/64/26/346476426.db2.gz BVDHJZJYAYYOGK-DTWKUNHWSA-N 1 2 195.266 1.019 20 0 ADADLO CC(C)c1nccc(-n2cc[nH+]c2)n1 336587604 346476782 /nfs/dbraw/zinc/47/67/82/346476782.db2.gz KBLGFKJNMYZAGE-UHFFFAOYSA-N 1 2 188.234 1.786 20 0 ADADLO Cc1ccncc1C[NH+]1CCOCC1 336584040 346477160 /nfs/dbraw/zinc/47/71/60/346477160.db2.gz JWZGTMWYEWDNHO-UHFFFAOYSA-N 1 2 192.262 1.222 20 0 ADADLO CCc1nc(C)c(Cn2cc[nH+]c2)o1 336582228 346477226 /nfs/dbraw/zinc/47/72/26/346477226.db2.gz JYZROOILCVUAOR-UHFFFAOYSA-N 1 2 191.234 1.790 20 0 ADADLO C[C@H]1C[N@H+](CC(N)=O)C[C@H](C2CC2)O1 336611899 346478469 /nfs/dbraw/zinc/47/84/69/346478469.db2.gz PCRDOYTVHUDYKD-IONNQARKSA-N 1 2 198.266 1.021 20 0 ADADLO C[C@H]1C[N@@H+](CC(N)=O)C[C@H](C2CC2)O1 336611899 346478472 /nfs/dbraw/zinc/47/84/72/346478472.db2.gz PCRDOYTVHUDYKD-IONNQARKSA-N 1 2 198.266 1.021 20 0 ADADLO C[C@H]1C[N@H+](CC(N)=O)C[C@@H](C2CC2)O1 336611898 346478598 /nfs/dbraw/zinc/47/85/98/346478598.db2.gz PCRDOYTVHUDYKD-CBAPKCEASA-N 1 2 198.266 1.021 20 0 ADADLO C[C@H]1C[N@@H+](CC(N)=O)C[C@@H](C2CC2)O1 336611898 346478600 /nfs/dbraw/zinc/47/86/00/346478600.db2.gz PCRDOYTVHUDYKD-CBAPKCEASA-N 1 2 198.266 1.021 20 0 ADADLO CCC(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 336604635 346478974 /nfs/dbraw/zinc/47/89/74/346478974.db2.gz ARRGPSPFWYUKKP-UHFFFAOYSA-N 1 2 195.266 1.637 20 0 ADADLO C[C@H]1C[N@H+](Cc2ncc[nH]2)CCCO1 336619270 346479465 /nfs/dbraw/zinc/47/94/65/346479465.db2.gz CEHSMJXJWFFIPV-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ncc[nH]2)CCCO1 336619270 346479467 /nfs/dbraw/zinc/47/94/67/346479467.db2.gz CEHSMJXJWFFIPV-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO CC[C@H]1C[N@H+](Cc2ccno2)CCO1 336627443 346480445 /nfs/dbraw/zinc/48/04/45/346480445.db2.gz UTBSPPPVYZGCDU-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO CC[C@H]1C[N@@H+](Cc2ccno2)CCO1 336627443 346480447 /nfs/dbraw/zinc/48/04/47/346480447.db2.gz UTBSPPPVYZGCDU-VIFPVBQESA-N 1 2 196.250 1.285 20 0 ADADLO CC1(C(=O)NCc2c[nH+]c[nH]2)CCC1 336626451 346480503 /nfs/dbraw/zinc/48/05/03/346480503.db2.gz CLNMMPXNTPFTIV-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO CC1(C(=O)NCc2c[nH]c[nH+]2)CCC1 336626451 346480505 /nfs/dbraw/zinc/48/05/05/346480505.db2.gz CLNMMPXNTPFTIV-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO Cc1nc(C[N@@H+](C)C2CCC2)no1 336631369 346480540 /nfs/dbraw/zinc/48/05/40/346480540.db2.gz AVSZYTZQARWURV-UHFFFAOYSA-N 1 2 181.239 1.362 20 0 ADADLO Cc1nc(C[N@H+](C)C2CCC2)no1 336631369 346480541 /nfs/dbraw/zinc/48/05/41/346480541.db2.gz AVSZYTZQARWURV-UHFFFAOYSA-N 1 2 181.239 1.362 20 0 ADADLO CC[C@@H]1C[N@H+](Cc2ccno2)CCO1 336627441 346480638 /nfs/dbraw/zinc/48/06/38/346480638.db2.gz UTBSPPPVYZGCDU-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO CC[C@@H]1C[N@@H+](Cc2ccno2)CCO1 336627441 346480640 /nfs/dbraw/zinc/48/06/40/346480640.db2.gz UTBSPPPVYZGCDU-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO Cc1nc(C[N@@H+]2CCC[C@H]2C)no1 336631468 346481062 /nfs/dbraw/zinc/48/10/62/346481062.db2.gz WEXHIWAOPGNZBS-SSDOTTSWSA-N 1 2 181.239 1.362 20 0 ADADLO Cc1nc(C[N@H+]2CCC[C@@H]2C)no1 336631469 346480991 /nfs/dbraw/zinc/48/09/91/346480991.db2.gz WEXHIWAOPGNZBS-ZETCQYMHSA-N 1 2 181.239 1.362 20 0 ADADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C)no1 336631469 346480994 /nfs/dbraw/zinc/48/09/94/346480994.db2.gz WEXHIWAOPGNZBS-ZETCQYMHSA-N 1 2 181.239 1.362 20 0 ADADLO Cc1nc(C[N@H+]2CCC[C@H]2C)no1 336631468 346481059 /nfs/dbraw/zinc/48/10/59/346481059.db2.gz WEXHIWAOPGNZBS-SSDOTTSWSA-N 1 2 181.239 1.362 20 0 ADADLO CCCc1noc(C[NH+](C)C)n1 349604609 346481696 /nfs/dbraw/zinc/48/16/96/346481696.db2.gz SGVXFMYTGYFBRF-UHFFFAOYSA-N 1 2 169.228 1.084 20 0 ADADLO COCc1noc(C[N@H+](C)C(C)C)n1 349823967 346482266 /nfs/dbraw/zinc/48/22/66/346482266.db2.gz JXXLQJPWJPEBMB-UHFFFAOYSA-N 1 2 199.254 1.056 20 0 ADADLO COCc1noc(C[N@@H+](C)C(C)C)n1 349823967 346482271 /nfs/dbraw/zinc/48/22/71/346482271.db2.gz JXXLQJPWJPEBMB-UHFFFAOYSA-N 1 2 199.254 1.056 20 0 ADADLO CC[NH+](CC)Cc1nc(COC)no1 349843859 346482772 /nfs/dbraw/zinc/48/27/72/346482772.db2.gz MHRUIKYEGBUVDH-UHFFFAOYSA-N 1 2 199.254 1.058 20 0 ADADLO OCCCC[N@H+](CC(F)F)C1CC1 379253109 346490442 /nfs/dbraw/zinc/49/04/42/346490442.db2.gz GZKOMYIKKHIIJT-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO OCCCC[N@@H+](CC(F)F)C1CC1 379253109 346490445 /nfs/dbraw/zinc/49/04/45/346490445.db2.gz GZKOMYIKKHIIJT-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO OCCC[N@H+](CC(F)F)C1CC1 379311884 346492556 /nfs/dbraw/zinc/49/25/56/346492556.db2.gz RWWKKIXQFXNIBX-UHFFFAOYSA-N 1 2 179.210 1.098 20 0 ADADLO OCCC[N@@H+](CC(F)F)C1CC1 379311884 346492558 /nfs/dbraw/zinc/49/25/58/346492558.db2.gz RWWKKIXQFXNIBX-UHFFFAOYSA-N 1 2 179.210 1.098 20 0 ADADLO CCC[N@H+](CCCO)CC(F)F 379311727 346492757 /nfs/dbraw/zinc/49/27/57/346492757.db2.gz PYKNJBQSTNLMCZ-UHFFFAOYSA-N 1 2 181.226 1.346 20 0 ADADLO CCC[N@@H+](CCCO)CC(F)F 379311727 346492758 /nfs/dbraw/zinc/49/27/58/346492758.db2.gz PYKNJBQSTNLMCZ-UHFFFAOYSA-N 1 2 181.226 1.346 20 0 ADADLO CC(C)[N@@H+](CC(F)F)C[C@H](C)O 379316470 346494377 /nfs/dbraw/zinc/49/43/77/346494377.db2.gz ZCOXSWFIXDYXOX-ZETCQYMHSA-N 1 2 181.226 1.343 20 0 ADADLO CC(C)[N@H+](CC(F)F)C[C@H](C)O 379316470 346494379 /nfs/dbraw/zinc/49/43/79/346494379.db2.gz ZCOXSWFIXDYXOX-ZETCQYMHSA-N 1 2 181.226 1.343 20 0 ADADLO CC(C)[N@@H+](CC(F)F)C[C@@H](C)O 379316469 346494523 /nfs/dbraw/zinc/49/45/23/346494523.db2.gz ZCOXSWFIXDYXOX-SSDOTTSWSA-N 1 2 181.226 1.343 20 0 ADADLO CC(C)[N@H+](CC(F)F)C[C@@H](C)O 379316469 346494525 /nfs/dbraw/zinc/49/45/25/346494525.db2.gz ZCOXSWFIXDYXOX-SSDOTTSWSA-N 1 2 181.226 1.343 20 0 ADADLO CC(=O)CSCc1c[nH+]cn1C 379320375 346495446 /nfs/dbraw/zinc/49/54/46/346495446.db2.gz WFMDZFDMVANXNC-UHFFFAOYSA-N 1 2 184.264 1.242 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)CC(F)F 379329137 346498728 /nfs/dbraw/zinc/49/87/28/346498728.db2.gz SPPIPSCBECFXII-UHFFFAOYSA-N 1 2 175.182 1.107 20 0 ADADLO COCCSCCn1cc[nH+]c1 379337533 346502297 /nfs/dbraw/zinc/50/22/97/346502297.db2.gz XVLPSOZMIIHALJ-UHFFFAOYSA-N 1 2 186.280 1.263 20 0 ADADLO CC[NH+](CC)Cc1noc(C)n1 379338440 346502949 /nfs/dbraw/zinc/50/29/49/346502949.db2.gz KHWBHSATRVBKNB-UHFFFAOYSA-N 1 2 169.228 1.220 20 0 ADADLO CC(C)SCC[NH2+]Cc1ccn[nH]1 379352521 346504431 /nfs/dbraw/zinc/50/44/31/346504431.db2.gz BRJCMZTWISBLAQ-UHFFFAOYSA-N 1 2 199.323 1.641 20 0 ADADLO CC(=O)[C@H](C)SCc1[nH+]ccn1C 379358147 346505675 /nfs/dbraw/zinc/50/56/75/346505675.db2.gz UOHJCACEGFMJJI-QMMMGPOBSA-N 1 2 198.291 1.631 20 0 ADADLO CC(=O)[C@@H](C)SCc1[nH+]ccn1C 379358146 346505870 /nfs/dbraw/zinc/50/58/70/346505870.db2.gz UOHJCACEGFMJJI-MRVPVSSYSA-N 1 2 198.291 1.631 20 0 ADADLO COCC1CC[NH+](CC(F)F)CC1 379360327 346506554 /nfs/dbraw/zinc/50/65/54/346506554.db2.gz BZVOPMHFTFCFAM-UHFFFAOYSA-N 1 2 193.237 1.610 20 0 ADADLO C[N@H+](CC(=O)OC(C)(C)C)C1CC1 379392621 346514425 /nfs/dbraw/zinc/51/44/25/346514425.db2.gz SFDKNHLQDVUAKW-UHFFFAOYSA-N 1 2 185.267 1.422 20 0 ADADLO C[N@@H+](CC(=O)OC(C)(C)C)C1CC1 379392621 346514427 /nfs/dbraw/zinc/51/44/27/346514427.db2.gz SFDKNHLQDVUAKW-UHFFFAOYSA-N 1 2 185.267 1.422 20 0 ADADLO CC(C)(C)C[N@H+](CCO)CC(F)F 379405807 346518916 /nfs/dbraw/zinc/51/89/16/346518916.db2.gz UXRYYCOYXFXPMB-UHFFFAOYSA-N 1 2 195.253 1.592 20 0 ADADLO CC(C)(C)C[N@@H+](CCO)CC(F)F 379405807 346518919 /nfs/dbraw/zinc/51/89/19/346518919.db2.gz UXRYYCOYXFXPMB-UHFFFAOYSA-N 1 2 195.253 1.592 20 0 ADADLO COC(=O)C(C)(C)[NH2+][C@@H]1C=CCCC1 379565061 346524874 /nfs/dbraw/zinc/52/48/74/346524874.db2.gz BJJOPAOYEHMECG-SECBINFHSA-N 1 2 197.278 1.636 20 0 ADADLO COC(=O)C(C)(C)[NH2+][C@H]1C=CCCC1 379565062 346525182 /nfs/dbraw/zinc/52/51/82/346525182.db2.gz BJJOPAOYEHMECG-VIFPVBQESA-N 1 2 197.278 1.636 20 0 ADADLO Cc1occc1C[NH2+]Cc1cc[nH]n1 379570590 346526058 /nfs/dbraw/zinc/52/60/58/346526058.db2.gz CXXCTKAOHVVOOE-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO CC[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)OC 379613887 346527100 /nfs/dbraw/zinc/52/71/00/346527100.db2.gz XDIQLCBEDIOEMM-SECBINFHSA-N 1 2 197.278 1.470 20 0 ADADLO CCOCC[NH2+][C@@H](C)c1nc(C)no1 379609746 346527183 /nfs/dbraw/zinc/52/71/83/346527183.db2.gz SJUWVMIVZRMPKG-ZETCQYMHSA-N 1 2 199.254 1.065 20 0 ADADLO CCOCC[NH2+][C@H](C)c1nc(C)no1 379609743 346527337 /nfs/dbraw/zinc/52/73/37/346527337.db2.gz SJUWVMIVZRMPKG-SSDOTTSWSA-N 1 2 199.254 1.065 20 0 ADADLO CC[C@H]([NH2+]C1(C2CC2)CC1)C(=O)OC 379613888 346527407 /nfs/dbraw/zinc/52/74/07/346527407.db2.gz XDIQLCBEDIOEMM-VIFPVBQESA-N 1 2 197.278 1.470 20 0 ADADLO Cc1ccoc1C[NH2+]Cc1cocn1 379655804 346528661 /nfs/dbraw/zinc/52/86/61/346528661.db2.gz KKEXMQZWJKYZMO-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO CC[C@@H]([NH2+][C@@H]1C[C@H]1CC)C(=O)OC 382300448 346533955 /nfs/dbraw/zinc/53/39/55/346533955.db2.gz NGPQQKMJYTZWKU-IWSPIJDZSA-N 1 2 185.267 1.326 20 0 ADADLO COC(=O)CC[N@@H+]1CCC=C(F)C1 383772670 346536729 /nfs/dbraw/zinc/53/67/29/346536729.db2.gz ORSAQJZNOFFMFQ-UHFFFAOYSA-N 1 2 187.214 1.109 20 0 ADADLO COC(=O)CC[N@H+]1CCC=C(F)C1 383772670 346536730 /nfs/dbraw/zinc/53/67/30/346536730.db2.gz ORSAQJZNOFFMFQ-UHFFFAOYSA-N 1 2 187.214 1.109 20 0 ADADLO CC/C=C\C[NH2+][C@H](C(=O)OC)C1CC1 384794000 346539271 /nfs/dbraw/zinc/53/92/71/346539271.db2.gz WEBHLAPOWGPXAO-LWTINBJPSA-N 1 2 197.278 1.494 20 0 ADADLO CC/C=C/C[NH2+][C@@H](C(=O)OC)C1CC1 384794001 346539275 /nfs/dbraw/zinc/53/92/75/346539275.db2.gz WEBHLAPOWGPXAO-ORAHPGNNSA-N 1 2 197.278 1.494 20 0 ADADLO CC/C=C\C[NH2+][C@@H](C(=O)OC)C1CC1 384794002 346539352 /nfs/dbraw/zinc/53/93/52/346539352.db2.gz WEBHLAPOWGPXAO-UMCURTJPSA-N 1 2 197.278 1.494 20 0 ADADLO CC/C=C/C[NH2+][C@H](CC)C(=O)OC 385188943 346543491 /nfs/dbraw/zinc/54/34/91/346543491.db2.gz OENZLVIRGKUBTF-XCODYQFDSA-N 1 2 185.267 1.494 20 0 ADADLO CC/C=C/C[NH2+][C@@H](CC)C(=O)OC 385188941 346543519 /nfs/dbraw/zinc/54/35/19/346543519.db2.gz OENZLVIRGKUBTF-UCUJLANTSA-N 1 2 185.267 1.494 20 0 ADADLO CC/C=C\C[NH2+][C@H](CC)C(=O)OC 385188937 346543767 /nfs/dbraw/zinc/54/37/67/346543767.db2.gz OENZLVIRGKUBTF-ATJFRQLMSA-N 1 2 185.267 1.494 20 0 ADADLO CC/C=C\C[NH2+][C@@H](CC)C(=O)OC 385188939 346543853 /nfs/dbraw/zinc/54/38/53/346543853.db2.gz OENZLVIRGKUBTF-NMTCXDENSA-N 1 2 185.267 1.494 20 0 ADADLO COCCSCc1[nH+]ccn1C 388384096 346550923 /nfs/dbraw/zinc/55/09/23/346550923.db2.gz XRSYZLWWOUGTKT-UHFFFAOYSA-N 1 2 186.280 1.300 20 0 ADADLO FCCCSCCn1cc[nH+]c1 388480676 346556569 /nfs/dbraw/zinc/55/65/69/346556569.db2.gz UONWUNKOJBCXGL-UHFFFAOYSA-N 1 2 188.271 1.976 20 0 ADADLO CCOC(=O)C[NH2+]C1(C2CC2)CC1 388621119 346561444 /nfs/dbraw/zinc/56/14/44/346561444.db2.gz HICCEGICFAYVGF-UHFFFAOYSA-N 1 2 183.251 1.082 20 0 ADADLO CCOC(=O)[C@@H](C)[NH2+]C1(C2CC2)CC1 389195518 346569673 /nfs/dbraw/zinc/56/96/73/346569673.db2.gz AHWVZHPJURLHNF-MRVPVSSYSA-N 1 2 197.278 1.470 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+]C1(C2CC2)CC1 389195520 346569759 /nfs/dbraw/zinc/56/97/59/346569759.db2.gz AHWVZHPJURLHNF-QMMMGPOBSA-N 1 2 197.278 1.470 20 0 ADADLO COCCCN(C)c1cccc[nH+]1 388919137 346570329 /nfs/dbraw/zinc/57/03/29/346570329.db2.gz RGMZTLZDIWHGJI-UHFFFAOYSA-N 1 2 180.251 1.554 20 0 ADADLO CCOCC[NH2+][C@H](C)c1nnc(C)o1 393682057 346580509 /nfs/dbraw/zinc/58/05/09/346580509.db2.gz IEZQHZKXLLXDNY-SSDOTTSWSA-N 1 2 199.254 1.065 20 0 ADADLO CCOCC[NH2+][C@@H](C)c1nnc(C)o1 393682058 346580686 /nfs/dbraw/zinc/58/06/86/346580686.db2.gz IEZQHZKXLLXDNY-ZETCQYMHSA-N 1 2 199.254 1.065 20 0 ADADLO CC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 395012362 346586151 /nfs/dbraw/zinc/58/61/51/346586151.db2.gz WOFBDSNXNRVOBB-SNVBAGLBSA-N 1 2 192.262 1.663 20 0 ADADLO CC(=O)C[N@H+](C)[C@H](C)c1ccncc1 395012362 346586153 /nfs/dbraw/zinc/58/61/53/346586153.db2.gz WOFBDSNXNRVOBB-SNVBAGLBSA-N 1 2 192.262 1.663 20 0 ADADLO CC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 395012359 346586164 /nfs/dbraw/zinc/58/61/64/346586164.db2.gz WOFBDSNXNRVOBB-JTQLQIEISA-N 1 2 192.262 1.663 20 0 ADADLO CC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 395012359 346586166 /nfs/dbraw/zinc/58/61/66/346586166.db2.gz WOFBDSNXNRVOBB-JTQLQIEISA-N 1 2 192.262 1.663 20 0 ADADLO Cc1cc(NC2CC=CC2)c(C#N)c[nH+]1 399541871 346598529 /nfs/dbraw/zinc/59/85/29/346598529.db2.gz XFSPFVKCBYAKPN-UHFFFAOYSA-N 1 2 199.257 1.814 20 0 ADADLO O=C(CCC1CC1)NCc1[nH]cc[nH+]1 400745543 346602671 /nfs/dbraw/zinc/60/26/71/346602671.db2.gz ANDFZDGIVHEQNV-UHFFFAOYSA-N 1 2 193.250 1.216 20 0 ADADLO COC(=O)C[N@H+](C)CC1=CCCC1 401096795 346602945 /nfs/dbraw/zinc/60/29/45/346602945.db2.gz ZWVCVSQBNHKOIW-UHFFFAOYSA-N 1 2 183.251 1.202 20 0 ADADLO COC(=O)C[N@@H+](C)CC1=CCCC1 401096795 346602947 /nfs/dbraw/zinc/60/29/47/346602947.db2.gz ZWVCVSQBNHKOIW-UHFFFAOYSA-N 1 2 183.251 1.202 20 0 ADADLO CC[C@@H]([NH2+]CC1=CCCC1)C(=O)OC 401109861 346602995 /nfs/dbraw/zinc/60/29/95/346602995.db2.gz IZGORNHDZMOTJV-SNVBAGLBSA-N 1 2 197.278 1.638 20 0 ADADLO C[C@@H]1C[C@H]([NH2+]CC(F)F)CO1 401863234 346620288 /nfs/dbraw/zinc/62/02/88/346620288.db2.gz DVALATOCOVIPSV-RITPCOANSA-N 1 2 165.183 1.019 20 0 ADADLO C[C@@H]1C[C@@H]([NH2+]CC(F)F)CO1 401863233 346620163 /nfs/dbraw/zinc/62/01/63/346620163.db2.gz DVALATOCOVIPSV-PHDIDXHHSA-N 1 2 165.183 1.019 20 0 ADADLO C[C@H]1C[C@@H]([NH2+]CC(F)F)CO1 401863232 346620383 /nfs/dbraw/zinc/62/03/83/346620383.db2.gz DVALATOCOVIPSV-NTSWFWBYSA-N 1 2 165.183 1.019 20 0 ADADLO C[C@H]1C[C@H]([NH2+]CC(F)F)CO1 401863235 346620456 /nfs/dbraw/zinc/62/04/56/346620456.db2.gz DVALATOCOVIPSV-WDSKDSINSA-N 1 2 165.183 1.019 20 0 ADADLO OCc1c(C2CC2)[nH+]c2n1CCCC2 536956323 346713005 /nfs/dbraw/zinc/71/30/05/346713005.db2.gz ZLYSRRXEIOCUPO-UHFFFAOYSA-N 1 2 192.262 1.589 20 0 ADADLO CC(C)(C)c1cn(CCCO)c[nH+]1 584629608 346734438 /nfs/dbraw/zinc/73/44/38/346734438.db2.gz JXYJZIBQVLEFNO-UHFFFAOYSA-N 1 2 182.267 1.563 20 0 ADADLO Cc1nc(C[N@@H+](C)CC(C)(C)C)no1 588901682 346767431 /nfs/dbraw/zinc/76/74/31/346767431.db2.gz VWWQLSXRBVUJGY-UHFFFAOYSA-N 1 2 197.282 1.856 20 0 ADADLO Cc1nc(C[N@H+](C)CC(C)(C)C)no1 588901682 346767434 /nfs/dbraw/zinc/76/74/34/346767434.db2.gz VWWQLSXRBVUJGY-UHFFFAOYSA-N 1 2 197.282 1.856 20 0 ADADLO C[N@H+](Cc1ccco1)Cc1ccno1 588881562 346767821 /nfs/dbraw/zinc/76/78/21/346767821.db2.gz TVCRCVNZDIQUGU-UHFFFAOYSA-N 1 2 192.218 1.900 20 0 ADADLO C[N@@H+](Cc1ccco1)Cc1ccno1 588881562 346767827 /nfs/dbraw/zinc/76/78/27/346767827.db2.gz TVCRCVNZDIQUGU-UHFFFAOYSA-N 1 2 192.218 1.900 20 0 ADADLO c1nc(-n2cc[nH+]c2)c2cc[nH]c2n1 588895600 346767847 /nfs/dbraw/zinc/76/78/47/346767847.db2.gz REVIFQAYJDSZIX-UHFFFAOYSA-N 1 2 185.190 1.144 20 0 ADADLO CC(C)c1nnc(C[N@H+](C)C2CC2)o1 588935805 346768832 /nfs/dbraw/zinc/76/88/32/346768832.db2.gz UUZBCKOCCSEULC-UHFFFAOYSA-N 1 2 195.266 1.787 20 0 ADADLO CC(C)c1nnc(C[N@@H+](C)C2CC2)o1 588935805 346768837 /nfs/dbraw/zinc/76/88/37/346768837.db2.gz UUZBCKOCCSEULC-UHFFFAOYSA-N 1 2 195.266 1.787 20 0 ADADLO CC(C)OC(=O)[C@H](C)[NH2+]CC1(C)CC1 590662352 346787077 /nfs/dbraw/zinc/78/70/77/346787077.db2.gz KCJUMTHUPABKEB-VIFPVBQESA-N 1 2 199.294 1.716 20 0 ADADLO CC1CC([NH2+][C@@H](C)C(=O)OC(C)C)C1 590662365 346787166 /nfs/dbraw/zinc/78/71/66/346787166.db2.gz UKLWCLACRNYFCY-KYHHOPLUSA-N 1 2 199.294 1.715 20 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RNRFJTCKIPXWNA-LURJTMIESA-N 1 2 181.251 1.689 20 0 ADADLO CN(Cc1[nH+]ccn1C)CC(F)F 590942747 346797696 /nfs/dbraw/zinc/79/76/96/346797696.db2.gz UACVPTSILHJAGA-UHFFFAOYSA-N 1 2 189.209 1.117 20 0 ADADLO C[N@H+](CC(F)F)C[C@@H]1CCOC1 590942749 346797773 /nfs/dbraw/zinc/79/77/73/346797773.db2.gz UTGTUSPXRAIWPD-ZETCQYMHSA-N 1 2 179.210 1.220 20 0 ADADLO C[N@@H+](CC(F)F)C[C@@H]1CCOC1 590942749 346797776 /nfs/dbraw/zinc/79/77/76/346797776.db2.gz UTGTUSPXRAIWPD-ZETCQYMHSA-N 1 2 179.210 1.220 20 0 ADADLO C[N@H+](CC(F)F)C[C@H]1CCOC1 590942748 346797784 /nfs/dbraw/zinc/79/77/84/346797784.db2.gz UTGTUSPXRAIWPD-SSDOTTSWSA-N 1 2 179.210 1.220 20 0 ADADLO C[N@@H+](CC(F)F)C[C@H]1CCOC1 590942748 346797786 /nfs/dbraw/zinc/79/77/86/346797786.db2.gz UTGTUSPXRAIWPD-SSDOTTSWSA-N 1 2 179.210 1.220 20 0 ADADLO CCC[N@H+](Cc1noc(C)n1)C1CC1 590943343 346797800 /nfs/dbraw/zinc/79/78/00/346797800.db2.gz YJRYXOOREVJVMR-UHFFFAOYSA-N 1 2 195.266 1.752 20 0 ADADLO CCC[N@@H+](Cc1noc(C)n1)C1CC1 590943343 346797804 /nfs/dbraw/zinc/79/78/04/346797804.db2.gz YJRYXOOREVJVMR-UHFFFAOYSA-N 1 2 195.266 1.752 20 0 ADADLO COCCC[N@H+](C)CC(F)F 590942751 346797912 /nfs/dbraw/zinc/79/79/12/346797912.db2.gz YJQHDHWHXHYLOH-UHFFFAOYSA-N 1 2 167.199 1.220 20 0 ADADLO COCCC[N@@H+](C)CC(F)F 590942751 346797914 /nfs/dbraw/zinc/79/79/14/346797914.db2.gz YJQHDHWHXHYLOH-UHFFFAOYSA-N 1 2 167.199 1.220 20 0 ADADLO CC[C@@H](C)[N@H+](C)Cc1noc(C)n1 591376380 346812107 /nfs/dbraw/zinc/81/21/07/346812107.db2.gz DVRCYUJFHARTTK-SSDOTTSWSA-N 1 2 183.255 1.608 20 0 ADADLO CC[C@@H](C)[N@@H+](C)Cc1noc(C)n1 591376380 346812109 /nfs/dbraw/zinc/81/21/09/346812109.db2.gz DVRCYUJFHARTTK-SSDOTTSWSA-N 1 2 183.255 1.608 20 0 ADADLO CC[C@H](C)[N@H+](C)Cc1noc(C)n1 591376381 346812535 /nfs/dbraw/zinc/81/25/35/346812535.db2.gz DVRCYUJFHARTTK-ZETCQYMHSA-N 1 2 183.255 1.608 20 0 ADADLO CC[C@H](C)[N@@H+](C)Cc1noc(C)n1 591376381 346812537 /nfs/dbraw/zinc/81/25/37/346812537.db2.gz DVRCYUJFHARTTK-ZETCQYMHSA-N 1 2 183.255 1.608 20 0 ADADLO CC[C@@H]([NH2+][C@@H]1C[C@H]1C(C)C)C(=O)OC 591377368 346813248 /nfs/dbraw/zinc/81/32/48/346813248.db2.gz UJCBXNRBHBGFCY-IVZWLZJFSA-N 1 2 199.294 1.572 20 0 ADADLO CC[C@H]([NH2+][C@@H]1C[C@H]1C(C)C)C(=O)OC 591377379 346813334 /nfs/dbraw/zinc/81/33/34/346813334.db2.gz UJCBXNRBHBGFCY-LPEHRKFASA-N 1 2 199.294 1.572 20 0 ADADLO CC[N@H+](CC(F)F)C1CC1 592443789 346831079 /nfs/dbraw/zinc/83/10/79/346831079.db2.gz YPAWTHGFHKUKPB-UHFFFAOYSA-N 1 2 149.184 1.736 20 0 ADADLO CC[N@@H+](CC(F)F)C1CC1 592443789 346831084 /nfs/dbraw/zinc/83/10/84/346831084.db2.gz YPAWTHGFHKUKPB-UHFFFAOYSA-N 1 2 149.184 1.736 20 0 ADADLO NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 592470630 346831846 /nfs/dbraw/zinc/83/18/46/346831846.db2.gz PEHVKGHUTYOMIE-ZETCQYMHSA-N 1 2 194.238 1.015 20 0 ADADLO COCCC[N@H+](CC(F)F)C1CC1 592816465 346833905 /nfs/dbraw/zinc/83/39/05/346833905.db2.gz LTOPGKPIHAEUOB-UHFFFAOYSA-N 1 2 193.237 1.752 20 0 ADADLO COCCC[N@@H+](CC(F)F)C1CC1 592816465 346833908 /nfs/dbraw/zinc/83/39/08/346833908.db2.gz 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346838674 /nfs/dbraw/zinc/83/86/74/346838674.db2.gz HWCGDGXZFMUKGM-APPZFPTMSA-N 1 2 190.246 1.406 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)C1CCC1 593275571 346838854 /nfs/dbraw/zinc/83/88/54/346838854.db2.gz ZZUPHKMBEQYGAL-UHFFFAOYSA-N 1 2 190.246 1.551 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1C 593277387 346838914 /nfs/dbraw/zinc/83/89/14/346838914.db2.gz HWCGDGXZFMUKGM-CBAPKCEASA-N 1 2 190.246 1.406 20 0 ADADLO CCCCC(=O)Nc1cc[nH+]cc1C 593277745 346838953 /nfs/dbraw/zinc/83/89/53/346838953.db2.gz DCSWEOWHODLOSL-UHFFFAOYSA-N 1 2 192.262 1.941 20 0 ADADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C 593277388 346838977 /nfs/dbraw/zinc/83/89/77/346838977.db2.gz HWCGDGXZFMUKGM-IONNQARKSA-N 1 2 190.246 1.406 20 0 ADADLO CCOCCN(CC)c1cccc[nH+]1 593999991 346844565 /nfs/dbraw/zinc/84/45/65/346844565.db2.gz MCRIIUBVWMZKBI-UHFFFAOYSA-N 1 2 194.278 1.944 20 0 ADADLO CCSCC[N@H+](C)Cc1cnc[nH]1 595595014 346861332 /nfs/dbraw/zinc/86/13/32/346861332.db2.gz ALUMNBRXQKUHHO-UHFFFAOYSA-N 1 2 199.323 1.595 20 0 ADADLO CCSCC[N@@H+](C)Cc1cnc[nH]1 595595014 346861333 /nfs/dbraw/zinc/86/13/33/346861333.db2.gz ALUMNBRXQKUHHO-UHFFFAOYSA-N 1 2 199.323 1.595 20 0 ADADLO COC(=O)C[NH2+]C1(CC(C)C)CC1 595831756 346865939 /nfs/dbraw/zinc/86/59/39/346865939.db2.gz RQDYUNAEGAVWND-UHFFFAOYSA-N 1 2 185.267 1.328 20 0 ADADLO COC(=O)[C@@H](C)[NH2+]C1(CC(C)C)CC1 595830565 346866194 /nfs/dbraw/zinc/86/61/94/346866194.db2.gz HWULXVJPZSLGCE-SECBINFHSA-N 1 2 199.294 1.716 20 0 ADADLO CCOC(=O)C[NH2+]C1(CC(C)C)CC1 595831320 346866210 /nfs/dbraw/zinc/86/62/10/346866210.db2.gz MNJNTAPRYSDQHL-UHFFFAOYSA-N 1 2 199.294 1.718 20 0 ADADLO COC(=O)[C@H](C)[NH2+]C1(CC(C)C)CC1 595830572 346866265 /nfs/dbraw/zinc/86/62/65/346866265.db2.gz HWULXVJPZSLGCE-VIFPVBQESA-N 1 2 199.294 1.716 20 0 ADADLO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCCO1 599208580 346901755 /nfs/dbraw/zinc/90/17/55/346901755.db2.gz KCNGHGOAYQRNIJ-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1ncc[nH]1)C[C@H]1CCCO1 599208580 346901758 /nfs/dbraw/zinc/90/17/58/346901758.db2.gz KCNGHGOAYQRNIJ-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCCO1 599208581 346901824 /nfs/dbraw/zinc/90/18/24/346901824.db2.gz KCNGHGOAYQRNIJ-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCCO1 599208581 346901825 /nfs/dbraw/zinc/90/18/25/346901825.db2.gz KCNGHGOAYQRNIJ-VIFPVBQESA-N 1 2 195.266 1.021 20 0 ADADLO CCc1nc(C[N@@H+](C)[C@@H](C)CC)no1 599208783 346901840 /nfs/dbraw/zinc/90/18/40/346901840.db2.gz ZAIFOQPBHOWTAR-QMMMGPOBSA-N 1 2 197.282 1.862 20 0 ADADLO CCc1nc(C[N@H+](C)[C@@H](C)CC)no1 599208783 346901841 /nfs/dbraw/zinc/90/18/41/346901841.db2.gz ZAIFOQPBHOWTAR-QMMMGPOBSA-N 1 2 197.282 1.862 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)Cc1ccco1 599200389 346901935 /nfs/dbraw/zinc/90/19/35/346901935.db2.gz MMWVLZXTSWFYOX-UHFFFAOYSA-N 1 2 191.234 1.635 20 0 ADADLO CCc1nc(C[N@@H+](C)[C@H](C)CC)no1 599208782 346902097 /nfs/dbraw/zinc/90/20/97/346902097.db2.gz ZAIFOQPBHOWTAR-MRVPVSSYSA-N 1 2 197.282 1.862 20 0 ADADLO CCc1nc(C[N@H+](C)[C@H](C)CC)no1 599208782 346902103 /nfs/dbraw/zinc/90/21/03/346902103.db2.gz ZAIFOQPBHOWTAR-MRVPVSSYSA-N 1 2 197.282 1.862 20 0 ADADLO CCCCCNC(=O)c1c[nH+]c(C)[nH]1 599290860 346902817 /nfs/dbraw/zinc/90/28/17/346902817.db2.gz JGMCAEQXLMREHS-UHFFFAOYSA-N 1 2 195.266 1.638 20 0 ADADLO CCCCC(=O)Nc1cc[nH+]cc1O 599262240 346902992 /nfs/dbraw/zinc/90/29/92/346902992.db2.gz NQAOTJFGDNITNK-UHFFFAOYSA-N 1 2 194.234 1.338 20 0 ADADLO CCC(CC)NC(=O)c1c[nH+]c(C)[nH]1 599294032 346903073 /nfs/dbraw/zinc/90/30/73/346903073.db2.gz XCBYFWJXALILHE-UHFFFAOYSA-N 1 2 195.266 1.637 20 0 ADADLO Cc1[nH]c(C(=O)NCCC(C)C)c[nH+]1 599291182 346903135 /nfs/dbraw/zinc/90/31/35/346903135.db2.gz MZFGNMLSNTYHJU-UHFFFAOYSA-N 1 2 195.266 1.494 20 0 ADADLO Cc1cc(N2CCO[C@@H](C)C2)nc[nH+]1 599452323 346903400 /nfs/dbraw/zinc/90/34/00/346903400.db2.gz NBLDSRDVJFMEPO-VIFPVBQESA-N 1 2 193.250 1.010 20 0 ADADLO Cc1cc(N2CCO[C@H](C)C2)nc[nH+]1 599452322 346903643 /nfs/dbraw/zinc/90/36/43/346903643.db2.gz NBLDSRDVJFMEPO-SECBINFHSA-N 1 2 193.250 1.010 20 0 ADADLO CC(C)N(C)C(=O)CCn1cc[nH+]c1 599487458 346903943 /nfs/dbraw/zinc/90/39/43/346903943.db2.gz OBOVJWGMORKMEG-UHFFFAOYSA-N 1 2 195.266 1.140 20 0 ADADLO CCN(CCOC)c1cc(C)[nH+]cn1 599554119 346904438 /nfs/dbraw/zinc/90/44/38/346904438.db2.gz SFMOSFSBQGSHFM-UHFFFAOYSA-N 1 2 195.266 1.258 20 0 ADADLO COCCCN(C)c1cc(C)[nH+]cn1 599573334 346904910 /nfs/dbraw/zinc/90/49/10/346904910.db2.gz TWKOIQILXIDMER-UHFFFAOYSA-N 1 2 195.266 1.258 20 0 ADADLO Cc1cc(N2CCCOCC2)nc[nH+]1 599732014 346906619 /nfs/dbraw/zinc/90/66/19/346906619.db2.gz LIKGBBZAAQUWJI-UHFFFAOYSA-N 1 2 193.250 1.012 20 0 ADADLO C[N@@H+](Cc1ccoc1)Cc1ccno1 600625595 346913080 /nfs/dbraw/zinc/91/30/80/346913080.db2.gz HNCIOSPXRCYLMH-UHFFFAOYSA-N 1 2 192.218 1.900 20 0 ADADLO C[N@H+](Cc1ccoc1)Cc1ccno1 600625595 346913086 /nfs/dbraw/zinc/91/30/86/346913086.db2.gz HNCIOSPXRCYLMH-UHFFFAOYSA-N 1 2 192.218 1.900 20 0 ADADLO CC[C@@H](C)C[N@H+](C)Cc1noc(C)n1 600655220 346914716 /nfs/dbraw/zinc/91/47/16/346914716.db2.gz PKXAOGKLGCTATG-MRVPVSSYSA-N 1 2 197.282 1.856 20 0 ADADLO CC[C@@H](C)C[N@@H+](C)Cc1noc(C)n1 600655220 346914721 /nfs/dbraw/zinc/91/47/21/346914721.db2.gz PKXAOGKLGCTATG-MRVPVSSYSA-N 1 2 197.282 1.856 20 0 ADADLO CCOCC[N@H+](CC)Cc1ncc[nH]1 600651403 346914744 /nfs/dbraw/zinc/91/47/44/346914744.db2.gz CYFBKPNBTRFVNQ-UHFFFAOYSA-N 1 2 197.282 1.268 20 0 ADADLO CCOCC[N@@H+](CC)Cc1ncc[nH]1 600651403 346914748 /nfs/dbraw/zinc/91/47/48/346914748.db2.gz CYFBKPNBTRFVNQ-UHFFFAOYSA-N 1 2 197.282 1.268 20 0 ADADLO CC[C@H](C)C[N@H+](C)Cc1noc(C)n1 600655221 346915287 /nfs/dbraw/zinc/91/52/87/346915287.db2.gz PKXAOGKLGCTATG-QMMMGPOBSA-N 1 2 197.282 1.856 20 0 ADADLO CC[C@H](C)C[N@@H+](C)Cc1noc(C)n1 600655221 346915288 /nfs/dbraw/zinc/91/52/88/346915288.db2.gz PKXAOGKLGCTATG-QMMMGPOBSA-N 1 2 197.282 1.856 20 0 ADADLO Cc1nc(C[N@H+](C)CC2CCC2)no1 600711460 346915529 /nfs/dbraw/zinc/91/55/29/346915529.db2.gz YJTLZPOZBJSDSO-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO Cc1nc(C[N@@H+](C)CC2CCC2)no1 600711460 346915533 /nfs/dbraw/zinc/91/55/33/346915533.db2.gz YJTLZPOZBJSDSO-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO CCC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 600925789 346917207 /nfs/dbraw/zinc/91/72/07/346917207.db2.gz UGSODAXJMITNNB-SSDOTTSWSA-N 1 2 195.266 1.637 20 0 ADADLO CCC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 600925790 346917548 /nfs/dbraw/zinc/91/75/48/346917548.db2.gz UGSODAXJMITNNB-ZETCQYMHSA-N 1 2 195.266 1.637 20 0 ADADLO CC[N@@H+](Cc1noc(C)n1)CC1CC1 601832196 346925152 /nfs/dbraw/zinc/92/51/52/346925152.db2.gz WZCDVSADBVBBTC-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO CC[N@H+](Cc1noc(C)n1)CC1CC1 601832196 346925154 /nfs/dbraw/zinc/92/51/54/346925154.db2.gz WZCDVSADBVBBTC-UHFFFAOYSA-N 1 2 195.266 1.610 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)CC(F)(F)F 602237448 346929797 /nfs/dbraw/zinc/92/97/97/346929797.db2.gz AGFXGLZCZJPJBI-UHFFFAOYSA-N 1 2 193.172 1.404 20 0 ADADLO CSCCNc1cc[nH+]cc1F 603269308 346952817 /nfs/dbraw/zinc/95/28/17/346952817.db2.gz RLQSQULQBHPUIN-UHFFFAOYSA-N 1 2 186.255 1.418 20 0 ADADLO CSCCNc1cc(CO)cc[nH+]1 603268547 346952843 /nfs/dbraw/zinc/95/28/43/346952843.db2.gz IJIWEJWQCSLTPY-UHFFFAOYSA-N 1 2 198.291 1.349 20 0 ADADLO C[C@@H](CO)SCc1cn(C)c[nH+]1 603318199 346953781 /nfs/dbraw/zinc/95/37/81/346953781.db2.gz GHVARKSRKCQFOQ-ZETCQYMHSA-N 1 2 186.280 1.034 20 0 ADADLO C[C@H](CO)SCc1cn(C)c[nH+]1 603318196 346953758 /nfs/dbraw/zinc/95/37/58/346953758.db2.gz GHVARKSRKCQFOQ-SSDOTTSWSA-N 1 2 186.280 1.034 20 0 ADADLO COCCSCc1cn(C)c[nH+]1 603323483 346953845 /nfs/dbraw/zinc/95/38/45/346953845.db2.gz YVMKKDXVBQSVHW-UHFFFAOYSA-N 1 2 186.280 1.300 20 0 ADADLO CC(=O)CSCc1ccc[nH+]c1N 603321662 346953886 /nfs/dbraw/zinc/95/38/86/346953886.db2.gz RYMJCQHGXOXBJM-UHFFFAOYSA-N 1 2 196.275 1.486 20 0 ADADLO C[N@H+](CC(F)F)CC1CC1 603409632 346955509 /nfs/dbraw/zinc/95/55/09/346955509.db2.gz FMNGYUOEZPUVKX-UHFFFAOYSA-N 1 2 149.184 1.593 20 0 ADADLO C[N@@H+](CC(F)F)CC1CC1 603409632 346955512 /nfs/dbraw/zinc/95/55/12/346955512.db2.gz FMNGYUOEZPUVKX-UHFFFAOYSA-N 1 2 149.184 1.593 20 0 ADADLO C[N@H+](CC(F)F)C[C@@H]1CCCOC1 603416344 346955742 /nfs/dbraw/zinc/95/57/42/346955742.db2.gz ZPFICLXRRDNBNU-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO C[N@@H+](CC(F)F)C[C@@H]1CCCOC1 603416344 346955744 /nfs/dbraw/zinc/95/57/44/346955744.db2.gz ZPFICLXRRDNBNU-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO C[N@H+](CC(F)F)C[C@H]1CCCOC1 603416343 346955755 /nfs/dbraw/zinc/95/57/55/346955755.db2.gz ZPFICLXRRDNBNU-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO C[N@@H+](CC(F)F)C[C@H]1CCCOC1 603416343 346955757 /nfs/dbraw/zinc/95/57/57/346955757.db2.gz ZPFICLXRRDNBNU-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO CCOCC[N@H+](CC)CC(F)F 603416318 346955765 /nfs/dbraw/zinc/95/57/65/346955765.db2.gz RFKBLYIJCASLIN-UHFFFAOYSA-N 1 2 181.226 1.610 20 0 ADADLO CCOCC[N@@H+](CC)CC(F)F 603416318 346955767 /nfs/dbraw/zinc/95/57/67/346955767.db2.gz RFKBLYIJCASLIN-UHFFFAOYSA-N 1 2 181.226 1.610 20 0 ADADLO COC[C@H](C)[N@H+](C)CC(F)F 603409703 346955802 /nfs/dbraw/zinc/95/58/02/346955802.db2.gz QXVXDIHEMUHRGT-LURJTMIESA-N 1 2 167.199 1.218 20 0 ADADLO COC[C@H](C)[N@@H+](C)CC(F)F 603409703 346955804 /nfs/dbraw/zinc/95/58/04/346955804.db2.gz QXVXDIHEMUHRGT-LURJTMIESA-N 1 2 167.199 1.218 20 0 ADADLO CCc1cc(N(C)CCOC)nc[nH+]1 603385008 346955821 /nfs/dbraw/zinc/95/58/21/346955821.db2.gz STQHRRVDGGHVET-UHFFFAOYSA-N 1 2 195.266 1.122 20 0 ADADLO CC[N@H+](CC(F)F)CC1CC1 603413138 346955836 /nfs/dbraw/zinc/95/58/36/346955836.db2.gz WGPHRLWHXNYPNN-UHFFFAOYSA-N 1 2 163.211 1.983 20 0 ADADLO CC[N@@H+](CC(F)F)CC1CC1 603413138 346955838 /nfs/dbraw/zinc/95/58/38/346955838.db2.gz WGPHRLWHXNYPNN-UHFFFAOYSA-N 1 2 163.211 1.983 20 0 ADADLO COC[C@@H](C)[N@H+](C)CC(F)F 603409704 346955842 /nfs/dbraw/zinc/95/58/42/346955842.db2.gz QXVXDIHEMUHRGT-ZCFIWIBFSA-N 1 2 167.199 1.218 20 0 ADADLO COC[C@@H](C)[N@@H+](C)CC(F)F 603409704 346955844 /nfs/dbraw/zinc/95/58/44/346955844.db2.gz QXVXDIHEMUHRGT-ZCFIWIBFSA-N 1 2 167.199 1.218 20 0 ADADLO Cc1cc(N(C)[C@@H]2CCOC2)nc[nH+]1 603392566 346955904 /nfs/dbraw/zinc/95/59/04/346955904.db2.gz QMYMGINUWXSZAV-SECBINFHSA-N 1 2 193.250 1.010 20 0 ADADLO CC[N@H+](CC(F)F)C(C)C 603413919 346955956 /nfs/dbraw/zinc/95/59/56/346955956.db2.gz MCAOVSLNFKTHML-UHFFFAOYSA-N 1 2 151.200 1.982 20 0 ADADLO CC[N@@H+](CC(F)F)C(C)C 603413919 346955957 /nfs/dbraw/zinc/95/59/57/346955957.db2.gz MCAOVSLNFKTHML-UHFFFAOYSA-N 1 2 151.200 1.982 20 0 ADADLO Cc1cc(N(C)[C@H]2CCOC2)nc[nH+]1 603392568 346956012 /nfs/dbraw/zinc/95/60/12/346956012.db2.gz QMYMGINUWXSZAV-VIFPVBQESA-N 1 2 193.250 1.010 20 0 ADADLO CC[N@H+](CC(F)F)C[C@H]1CCCO1 603555367 346956557 /nfs/dbraw/zinc/95/65/57/346956557.db2.gz QHTASSOETMUJPE-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CC[N@@H+](CC(F)F)C[C@H]1CCCO1 603555367 346956558 /nfs/dbraw/zinc/95/65/58/346956558.db2.gz QHTASSOETMUJPE-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CC[N@H+](CC(F)F)C[C@@H]1CCCO1 603555368 346956580 /nfs/dbraw/zinc/95/65/80/346956580.db2.gz QHTASSOETMUJPE-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CC[N@@H+](CC(F)F)C[C@@H]1CCCO1 603555368 346956582 /nfs/dbraw/zinc/95/65/82/346956582.db2.gz QHTASSOETMUJPE-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CC[N@H+](CC(F)F)C[C@H]1CCOC1 603554846 346956595 /nfs/dbraw/zinc/95/65/95/346956595.db2.gz DMACGWPMWPLHFJ-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO CC[N@@H+](CC(F)F)C[C@H]1CCOC1 603554846 346956597 /nfs/dbraw/zinc/95/65/97/346956597.db2.gz DMACGWPMWPLHFJ-MRVPVSSYSA-N 1 2 193.237 1.610 20 0 ADADLO CC[N@H+](CC(F)F)C[C@@H]1CCOC1 603554847 346957034 /nfs/dbraw/zinc/95/70/34/346957034.db2.gz DMACGWPMWPLHFJ-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO CC[N@@H+](CC(F)F)C[C@@H]1CCOC1 603554847 346957038 /nfs/dbraw/zinc/95/70/38/346957038.db2.gz DMACGWPMWPLHFJ-QMMMGPOBSA-N 1 2 193.237 1.610 20 0 ADADLO Cc1noc(CCCn2cc[nH+]c2)n1 603641527 346957411 /nfs/dbraw/zinc/95/74/11/346957411.db2.gz QHYAKIGDHBVFDX-UHFFFAOYSA-N 1 2 192.222 1.207 20 0 ADADLO CCCC(=O)Nc1cc[nH+]cc1CC 603791196 346958427 /nfs/dbraw/zinc/95/84/27/346958427.db2.gz BSTHZTPZEYTTBB-UHFFFAOYSA-N 1 2 192.262 1.805 20 0 ADADLO CCCC(=O)N1CC(n2cc[nH+]c2)C1 603813724 346958465 /nfs/dbraw/zinc/95/84/65/346958465.db2.gz GTAQLWDEFHVLRM-UHFFFAOYSA-N 1 2 193.250 1.067 20 0 ADADLO CCC(C)(C)[N@H+](C)Cc1noc(C)n1 603937853 346960315 /nfs/dbraw/zinc/96/03/15/346960315.db2.gz KICPPUBXDLZVRU-UHFFFAOYSA-N 1 2 197.282 1.998 20 0 ADADLO CCC(C)(C)[N@@H+](C)Cc1noc(C)n1 603937853 346960318 /nfs/dbraw/zinc/96/03/18/346960318.db2.gz KICPPUBXDLZVRU-UHFFFAOYSA-N 1 2 197.282 1.998 20 0 ADADLO CC[N@@H+]1CCOC[C@H]1c1ccco1 604886752 346966821 /nfs/dbraw/zinc/96/68/21/346966821.db2.gz QIVSUVWIHRNXDB-VIFPVBQESA-N 1 2 181.235 1.673 20 0 ADADLO CC[N@H+]1CCOC[C@H]1c1ccco1 604886752 346966824 /nfs/dbraw/zinc/96/68/24/346966824.db2.gz QIVSUVWIHRNXDB-VIFPVBQESA-N 1 2 181.235 1.673 20 0 ADADLO CC[N@@H+]1CCOC[C@@H]1c1ccco1 604886750 346966914 /nfs/dbraw/zinc/96/69/14/346966914.db2.gz 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/nfs/dbraw/zinc/98/61/70/346986170.db2.gz NTVUVWMVWLROOZ-JTQLQIEISA-N 1 2 196.250 1.285 20 0 ADADLO CC(C)OCC[N@H+](C)Cc1ccon1 606901983 346986194 /nfs/dbraw/zinc/98/61/94/346986194.db2.gz QUTRTYPRHKPVRO-UHFFFAOYSA-N 1 2 198.266 1.531 20 0 ADADLO CC(C)OCC[N@@H+](C)Cc1ccon1 606901983 346986196 /nfs/dbraw/zinc/98/61/96/346986196.db2.gz QUTRTYPRHKPVRO-UHFFFAOYSA-N 1 2 198.266 1.531 20 0 ADADLO CCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 606901313 346986260 /nfs/dbraw/zinc/98/62/60/346986260.db2.gz QDMBVUAGPRUSIC-SSDOTTSWSA-N 1 2 197.200 1.660 20 0 ADADLO CCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 606901313 346986263 /nfs/dbraw/zinc/98/62/63/346986263.db2.gz QDMBVUAGPRUSIC-SSDOTTSWSA-N 1 2 197.200 1.660 20 0 ADADLO CN(Cc1ccon1)Cc1[nH]cc[nH+]1 606901996 346986337 /nfs/dbraw/zinc/98/63/37/346986337.db2.gz QWALAGSKPORXNB-UHFFFAOYSA-N 1 2 192.222 1.030 20 0 ADADLO C[N@@H+](Cc1ccon1)C[C@H]1CCCO1 606902266 346986390 /nfs/dbraw/zinc/98/63/90/346986390.db2.gz NTVUVWMVWLROOZ-SNVBAGLBSA-N 1 2 196.250 1.285 20 0 ADADLO C[N@H+](Cc1ccon1)C[C@H]1CCCO1 606902266 346986394 /nfs/dbraw/zinc/98/63/94/346986394.db2.gz NTVUVWMVWLROOZ-SNVBAGLBSA-N 1 2 196.250 1.285 20 0 ADADLO CCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 606901314 346986437 /nfs/dbraw/zinc/98/64/37/346986437.db2.gz QDMBVUAGPRUSIC-ZETCQYMHSA-N 1 2 197.200 1.660 20 0 ADADLO CCC[N@H+]1CCO[C@H](C(F)(F)F)C1 606901314 346986441 /nfs/dbraw/zinc/98/64/41/346986441.db2.gz QDMBVUAGPRUSIC-ZETCQYMHSA-N 1 2 197.200 1.660 20 0 ADADLO CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 607039872 346987330 /nfs/dbraw/zinc/98/73/30/346987330.db2.gz SDKAVRHVUBVEPT-SECBINFHSA-N 1 2 195.266 1.045 20 0 ADADLO CCC(=O)NC[C@H](C)Cn1cc[nH+]c1 607039885 346987393 /nfs/dbraw/zinc/98/73/93/346987393.db2.gz SDKAVRHVUBVEPT-VIFPVBQESA-N 1 2 195.266 1.045 20 0 ADADLO COC[C@@H](C)[N@H+](C)Cc1ccon1 607150842 346988554 /nfs/dbraw/zinc/98/85/54/346988554.db2.gz BKQSWKDTYCNTCQ-MRVPVSSYSA-N 1 2 184.239 1.141 20 0 ADADLO COC[C@@H](C)[N@@H+](C)Cc1ccon1 607150842 346988555 /nfs/dbraw/zinc/98/85/55/346988555.db2.gz 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/nfs/dbraw/zinc/99/18/56/346991856.db2.gz RIFQQJQHQBJHEC-UHFFFAOYSA-N 1 2 182.271 1.047 20 0 ADADLO CCCC[N@@H+](C)Cc1ncnn1C 607723858 346991859 /nfs/dbraw/zinc/99/18/59/346991859.db2.gz RIFQQJQHQBJHEC-UHFFFAOYSA-N 1 2 182.271 1.047 20 0 ADADLO Cc1nc(N(C)[C@H]2CCOC2)cc[nH+]1 608085255 346998903 /nfs/dbraw/zinc/99/89/03/346998903.db2.gz FSRHYOBBAWISCV-VIFPVBQESA-N 1 2 193.250 1.010 20 0 ADADLO COCCCN(C)c1cc[nH+]c(C)n1 608080699 346998928 /nfs/dbraw/zinc/99/89/28/346998928.db2.gz ODSWMEPZNDMNGQ-UHFFFAOYSA-N 1 2 195.266 1.258 20 0 ADADLO Cc1nc(N2CCO[C@@H](C)C2)cc[nH+]1 608078521 346999065 /nfs/dbraw/zinc/99/90/65/346999065.db2.gz DQHNPUSLMLUXPF-QMMMGPOBSA-N 1 2 193.250 1.010 20 0 ADADLO Cc1nc(N2CCO[C@H](C)C2)cc[nH+]1 608078518 346999148 /nfs/dbraw/zinc/99/91/48/346999148.db2.gz DQHNPUSLMLUXPF-MRVPVSSYSA-N 1 2 193.250 1.010 20 0 ADADLO Cc1nc(N2CCCOCC2)cc[nH+]1 608081001 346999153 /nfs/dbraw/zinc/99/91/53/346999153.db2.gz CAGOSVPPTRIZAG-UHFFFAOYSA-N 1 2 193.250 1.012 20 0 ADADLO Cc1nc(N(C)[C@@H]2CCOC2)cc[nH+]1 608085254 346999193 /nfs/dbraw/zinc/99/91/93/346999193.db2.gz FSRHYOBBAWISCV-SECBINFHSA-N 1 2 193.250 1.010 20 0 ADADLO CCN(CCOC)c1cc[nH+]c(C)n1 608080755 346999219 /nfs/dbraw/zinc/99/92/19/346999219.db2.gz XPBGWYPGTIEYAQ-UHFFFAOYSA-N 1 2 195.266 1.258 20 0 ADADLO Cc1[nH]c(C(=O)NCCC2CC2)c[nH+]1 608474822 347001845 /nfs/dbraw/zinc/00/18/45/347001845.db2.gz AHOUMVAWFCYMPT-UHFFFAOYSA-N 1 2 193.250 1.248 20 0 ADADLO CCc1cnc(C[N@H+](C)C2CC2)o1 608492500 347003572 /nfs/dbraw/zinc/00/35/72/347003572.db2.gz DTIAWLCQOLYHAR-UHFFFAOYSA-N 1 2 180.251 1.831 20 0 ADADLO CCc1cnc(C[N@@H+](C)C2CC2)o1 608492500 347003575 /nfs/dbraw/zinc/00/35/75/347003575.db2.gz DTIAWLCQOLYHAR-UHFFFAOYSA-N 1 2 180.251 1.831 20 0 ADADLO COCC[N@H+](C)Cc1ncc(C)o1 608493059 347004156 /nfs/dbraw/zinc/00/41/56/347004156.db2.gz KPUZEOQNZISSQF-UHFFFAOYSA-N 1 2 184.239 1.061 20 0 ADADLO COCC[N@@H+](C)Cc1ncc(C)o1 608493059 347004158 /nfs/dbraw/zinc/00/41/58/347004158.db2.gz KPUZEOQNZISSQF-UHFFFAOYSA-N 1 2 184.239 1.061 20 0 ADADLO CC[N@H+](CCOC)Cc1ncc(C)o1 608493270 347004171 /nfs/dbraw/zinc/00/41/71/347004171.db2.gz UOJVIAQLTYUIAF-UHFFFAOYSA-N 1 2 198.266 1.451 20 0 ADADLO CC[N@@H+](CCOC)Cc1ncc(C)o1 608493270 347004172 /nfs/dbraw/zinc/00/41/72/347004172.db2.gz UOJVIAQLTYUIAF-UHFFFAOYSA-N 1 2 198.266 1.451 20 0 ADADLO CCc1cnc(C[N@H+](C)CCOC)o1 608493065 347004311 /nfs/dbraw/zinc/00/43/11/347004311.db2.gz MPEQZKSWGWQLRU-UHFFFAOYSA-N 1 2 198.266 1.315 20 0 ADADLO CCc1cnc(C[N@@H+](C)CCOC)o1 608493065 347004313 /nfs/dbraw/zinc/00/43/13/347004313.db2.gz MPEQZKSWGWQLRU-UHFFFAOYSA-N 1 2 198.266 1.315 20 0 ADADLO CCc1cnc(C[N@H+](CC)CCO)o1 608498143 347006945 /nfs/dbraw/zinc/00/69/45/347006945.db2.gz FFNRYCXKQIRGHE-UHFFFAOYSA-N 1 2 198.266 1.051 20 0 ADADLO CCc1cnc(C[N@@H+](CC)CCO)o1 608498143 347006948 /nfs/dbraw/zinc/00/69/48/347006948.db2.gz FFNRYCXKQIRGHE-UHFFFAOYSA-N 1 2 198.266 1.051 20 0 ADADLO CCc1cnc(C[N@H+](C)C[C@H](C)O)o1 608497984 347007316 /nfs/dbraw/zinc/00/73/16/347007316.db2.gz KZYNIQLQUXKZCQ-QMMMGPOBSA-N 1 2 198.266 1.050 20 0 ADADLO CCc1cnc(C[N@@H+](C)C[C@H](C)O)o1 608497984 347007319 /nfs/dbraw/zinc/00/73/19/347007319.db2.gz KZYNIQLQUXKZCQ-QMMMGPOBSA-N 1 2 198.266 1.050 20 0 ADADLO CCc1cnc(C[N@H+](C)C[C@@H](C)O)o1 608497981 347007529 /nfs/dbraw/zinc/00/75/29/347007529.db2.gz KZYNIQLQUXKZCQ-MRVPVSSYSA-N 1 2 198.266 1.050 20 0 ADADLO CCc1cnc(C[N@@H+](C)C[C@@H](C)O)o1 608497981 347007532 /nfs/dbraw/zinc/00/75/32/347007532.db2.gz KZYNIQLQUXKZCQ-MRVPVSSYSA-N 1 2 198.266 1.050 20 0 ADADLO CCc1nc(C[N@H+](C)C2CCC2)no1 608500809 347008735 /nfs/dbraw/zinc/00/87/35/347008735.db2.gz NOEOFCAUZXBRRR-UHFFFAOYSA-N 1 2 195.266 1.616 20 0 ADADLO CCc1nc(C[N@@H+](C)C2CCC2)no1 608500809 347008738 /nfs/dbraw/zinc/00/87/38/347008738.db2.gz NOEOFCAUZXBRRR-UHFFFAOYSA-N 1 2 195.266 1.616 20 0 ADADLO C[N@H+](CC(F)F)CC1(C)COC1 608500561 347008871 /nfs/dbraw/zinc/00/88/71/347008871.db2.gz LYRJZRCQXPKZNS-UHFFFAOYSA-N 1 2 179.210 1.220 20 0 ADADLO C[N@@H+](CC(F)F)CC1(C)COC1 608500561 347008874 /nfs/dbraw/zinc/00/88/74/347008874.db2.gz LYRJZRCQXPKZNS-UHFFFAOYSA-N 1 2 179.210 1.220 20 0 ADADLO C[N@H+](CCC1CC1)CC(F)F 608500576 347009072 /nfs/dbraw/zinc/00/90/72/347009072.db2.gz SAOASNDCTUIVIB-UHFFFAOYSA-N 1 2 163.211 1.983 20 0 ADADLO C[N@@H+](CCC1CC1)CC(F)F 608500576 347009075 /nfs/dbraw/zinc/00/90/75/347009075.db2.gz SAOASNDCTUIVIB-UHFFFAOYSA-N 1 2 163.211 1.983 20 0 ADADLO CCc1cnc(Cn2cc[nH+]c2)o1 608559984 347010422 /nfs/dbraw/zinc/01/04/22/347010422.db2.gz RPGBWAIPFGYNPA-UHFFFAOYSA-N 1 2 177.207 1.482 20 0 ADADLO CSCC[N@H+](C)CC(F)F 609147488 347016628 /nfs/dbraw/zinc/01/66/28/347016628.db2.gz MOGZRYJVCCRKPY-UHFFFAOYSA-N 1 2 169.240 1.546 20 0 ADADLO CSCC[N@@H+](C)CC(F)F 609147488 347016629 /nfs/dbraw/zinc/01/66/29/347016629.db2.gz MOGZRYJVCCRKPY-UHFFFAOYSA-N 1 2 169.240 1.546 20 0 ADADLO CSCC[N@H+](C)Cc1ccon1 610091397 347021792 /nfs/dbraw/zinc/02/17/92/347021792.db2.gz QJIRTSXCQSUWLC-UHFFFAOYSA-N 1 2 186.280 1.469 20 0 ADADLO CSCC[N@@H+](C)Cc1ccon1 610091397 347021796 /nfs/dbraw/zinc/02/17/96/347021796.db2.gz QJIRTSXCQSUWLC-UHFFFAOYSA-N 1 2 186.280 1.469 20 0 ADADLO CSCC[N@H+](C)Cc1ncc[nH]1 610844449 347031636 /nfs/dbraw/zinc/03/16/36/347031636.db2.gz HKDGTGOQFKJZLL-UHFFFAOYSA-N 1 2 185.296 1.205 20 0 ADADLO CSCC[N@@H+](C)Cc1ncc[nH]1 610844449 347031639 /nfs/dbraw/zinc/03/16/39/347031639.db2.gz HKDGTGOQFKJZLL-UHFFFAOYSA-N 1 2 185.296 1.205 20 0 ADADLO CCOC(=O)[C@H](C)[N@H+](C)CC=C(C)C 610769587 347031746 /nfs/dbraw/zinc/03/17/46/347031746.db2.gz VHOYLIDTUVJHMX-JTQLQIEISA-N 1 2 199.294 1.836 20 0 ADADLO CCOC(=O)[C@H](C)[N@@H+](C)CC=C(C)C 610769587 347031747 /nfs/dbraw/zinc/03/17/47/347031747.db2.gz VHOYLIDTUVJHMX-JTQLQIEISA-N 1 2 199.294 1.836 20 0 ADADLO CSCC[N@H+](C)Cc1nccn1C 611553872 347040271 /nfs/dbraw/zinc/04/02/71/347040271.db2.gz RZAZDNODDPBMEI-UHFFFAOYSA-N 1 2 199.323 1.215 20 0 ADADLO CSCC[N@@H+](C)Cc1nccn1C 611553872 347040272 /nfs/dbraw/zinc/04/02/72/347040272.db2.gz 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/nfs/dbraw/zinc/05/34/23/347053423.db2.gz MPWBVGOZJVJBEF-JTQLQIEISA-N 1 2 192.262 1.454 20 0 ADADLO CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 613210992 347056876 /nfs/dbraw/zinc/05/68/76/347056876.db2.gz VPUWFPQHOMDEMV-SECBINFHSA-N 1 2 195.266 1.925 20 0 ADADLO CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 613210992 347056878 /nfs/dbraw/zinc/05/68/78/347056878.db2.gz VPUWFPQHOMDEMV-SECBINFHSA-N 1 2 195.266 1.925 20 0 ADADLO CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 613210995 347056948 /nfs/dbraw/zinc/05/69/48/347056948.db2.gz VPUWFPQHOMDEMV-VIFPVBQESA-N 1 2 195.266 1.925 20 0 ADADLO CC[N@H+]1CCCC[C@H]1c1noc(C)n1 613210995 347056949 /nfs/dbraw/zinc/05/69/49/347056949.db2.gz VPUWFPQHOMDEMV-VIFPVBQESA-N 1 2 195.266 1.925 20 0 ADADLO CCCC[N@H+](C)Cc1noc(C)n1 613322535 347058356 /nfs/dbraw/zinc/05/83/56/347058356.db2.gz VRGXPHSAWNYSKX-UHFFFAOYSA-N 1 2 183.255 1.610 20 0 ADADLO CCCC[N@@H+](C)Cc1noc(C)n1 613322535 347058358 /nfs/dbraw/zinc/05/83/58/347058358.db2.gz VRGXPHSAWNYSKX-UHFFFAOYSA-N 1 2 183.255 1.610 20 0 ADADLO 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/nfs/dbraw/zinc/05/88/40/347058840.db2.gz WQXFNJLYECJFPK-ZETCQYMHSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1nc(C[N@H+](C)[C@@H](C)C2CC2)no1 613393725 347058841 /nfs/dbraw/zinc/05/88/41/347058841.db2.gz WQXFNJLYECJFPK-ZETCQYMHSA-N 1 2 195.266 1.608 20 0 ADADLO Cc1nc(C[N@@H+](C(C)C)C2CC2)no1 613432492 347059126 /nfs/dbraw/zinc/05/91/26/347059126.db2.gz CPEXVQRZUHCETN-UHFFFAOYSA-N 1 2 195.266 1.751 20 0 ADADLO Cc1nc(C[N@H+](C(C)C)C2CC2)no1 613432492 347059129 /nfs/dbraw/zinc/05/91/29/347059129.db2.gz CPEXVQRZUHCETN-UHFFFAOYSA-N 1 2 195.266 1.751 20 0 ADADLO COC[C@H](C)[N@H+](C)Cc1cc(C)on1 613453985 347060134 /nfs/dbraw/zinc/06/01/34/347060134.db2.gz TZXMYOKONNOYBK-QMMMGPOBSA-N 1 2 198.266 1.450 20 0 ADADLO COC[C@H](C)[N@@H+](C)Cc1cc(C)on1 613453985 347060138 /nfs/dbraw/zinc/06/01/38/347060138.db2.gz TZXMYOKONNOYBK-QMMMGPOBSA-N 1 2 198.266 1.450 20 0 ADADLO Cc1nc(C[N@H+](C)CC2CC2)no1 613475744 347060142 /nfs/dbraw/zinc/06/01/42/347060142.db2.gz SHCLXXVASXOUIG-UHFFFAOYSA-N 1 2 181.239 1.220 20 0 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/nfs/dbraw/zinc/19/22/86/347192286.db2.gz FLJVTSIGZIXKHB-UHFFFAOYSA-N 1 2 181.239 1.399 20 0 ADADLO CC[N@@H+](C)Cc1noc(C2CC2)n1 618751726 347192289 /nfs/dbraw/zinc/19/22/89/347192289.db2.gz FLJVTSIGZIXKHB-UHFFFAOYSA-N 1 2 181.239 1.399 20 0 ADADLO CCc1nc(C[NH+](CC)CC)no1 618873636 347194490 /nfs/dbraw/zinc/19/44/90/347194490.db2.gz BPIAGLUUBDRRQF-UHFFFAOYSA-N 1 2 183.255 1.474 20 0 ADADLO CCc1nc(C[N@H+](C)CC2CC2)no1 618875508 347194503 /nfs/dbraw/zinc/19/45/03/347194503.db2.gz KFSQUQDTQOPYPR-UHFFFAOYSA-N 1 2 195.266 1.474 20 0 ADADLO CCc1nc(C[N@@H+](C)CC2CC2)no1 618875508 347194505 /nfs/dbraw/zinc/19/45/05/347194505.db2.gz KFSQUQDTQOPYPR-UHFFFAOYSA-N 1 2 195.266 1.474 20 0 ADADLO CCc1nc(C[N@@H+](CC)C2CC2)no1 618873638 347194545 /nfs/dbraw/zinc/19/45/45/347194545.db2.gz IAASFMTWWGDZKU-UHFFFAOYSA-N 1 2 195.266 1.616 20 0 ADADLO CCc1nc(C[N@H+](CC)C2CC2)no1 618873638 347194547 /nfs/dbraw/zinc/19/45/47/347194547.db2.gz IAASFMTWWGDZKU-UHFFFAOYSA-N 1 2 195.266 1.616 20 0 ADADLO 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20 0 ADADLO Cc1nc(C[N@H+]2CC=CCC2)[nH]c1C 628234909 347312961 /nfs/dbraw/zinc/31/29/61/347312961.db2.gz RNGCZASBPAISAZ-UHFFFAOYSA-N 1 2 191.278 1.788 20 0 ADADLO Cc1nc(C[N@@H+]2CC=CCC2)[nH]c1C 628234909 347312962 /nfs/dbraw/zinc/31/29/62/347312962.db2.gz RNGCZASBPAISAZ-UHFFFAOYSA-N 1 2 191.278 1.788 20 0 ADADLO Cc1[nH]c(CN2CC=CCC2)[nH+]c1C 628234909 347312963 /nfs/dbraw/zinc/31/29/63/347312963.db2.gz RNGCZASBPAISAZ-UHFFFAOYSA-N 1 2 191.278 1.788 20 0 ADADLO Cc1c[nH]c(CN2CCC=C(F)C2)[nH+]1 628235542 347313128 /nfs/dbraw/zinc/31/31/28/347313128.db2.gz RGKWWWGEOCGHOF-UHFFFAOYSA-N 1 2 195.241 1.777 20 0 ADADLO Cc1c[nH]c(C[N@H+]2CC=CCC2)n1 628234723 347313187 /nfs/dbraw/zinc/31/31/87/347313187.db2.gz LDTFATFEKONUGO-UHFFFAOYSA-N 1 2 177.251 1.480 20 0 ADADLO Cc1c[nH]c(C[N@@H+]2CC=CCC2)n1 628234723 347313189 /nfs/dbraw/zinc/31/31/89/347313189.db2.gz LDTFATFEKONUGO-UHFFFAOYSA-N 1 2 177.251 1.480 20 0 ADADLO CO[C@H](C)C[N@H+](C)Cc1nc(C)c[nH]1 628276053 347313759 /nfs/dbraw/zinc/31/37/59/347313759.db2.gz PKXVQFOTNKXCOD-SECBINFHSA-N 1 2 197.282 1.185 20 0 ADADLO CO[C@H](C)C[N@@H+](C)Cc1nc(C)c[nH]1 628276053 347313761 /nfs/dbraw/zinc/31/37/61/347313761.db2.gz PKXVQFOTNKXCOD-SECBINFHSA-N 1 2 197.282 1.185 20 0 ADADLO CO[C@@H](C)C[N@H+](C)Cc1nc(C)c[nH]1 628276054 347313802 /nfs/dbraw/zinc/31/38/02/347313802.db2.gz PKXVQFOTNKXCOD-VIFPVBQESA-N 1 2 197.282 1.185 20 0 ADADLO CO[C@@H](C)C[N@@H+](C)Cc1nc(C)c[nH]1 628276054 347313803 /nfs/dbraw/zinc/31/38/03/347313803.db2.gz PKXVQFOTNKXCOD-VIFPVBQESA-N 1 2 197.282 1.185 20 0 ADADLO FCC[NH2+]Cc1cnc(C2CC2)o1 628258539 347313811 /nfs/dbraw/zinc/31/38/11/347313811.db2.gz IETBFWYLBCKSNC-UHFFFAOYSA-N 1 2 184.214 1.611 20 0 ADADLO Cc1[nH]c(CN2CC[C@H](F)C2)[nH+]c1C 628298635 347314542 /nfs/dbraw/zinc/31/45/42/347314542.db2.gz MLAGMWZFGXMOAI-VIFPVBQESA-N 1 2 197.257 1.570 20 0 ADADLO Cc1c[nH]c(CN2CCC[C@@H](F)C2)[nH+]1 628326536 347314594 /nfs/dbraw/zinc/31/45/94/347314594.db2.gz LBQGTKPVDVXYBR-SECBINFHSA-N 1 2 197.257 1.652 20 0 ADADLO Cc1c[nH]c(CN2CCC[C@H](F)C2)[nH+]1 628326537 347314856 /nfs/dbraw/zinc/31/48/56/347314856.db2.gz LBQGTKPVDVXYBR-VIFPVBQESA-N 1 2 197.257 1.652 20 0 ADADLO Cc1[nH]c(CN2CC[C@@H](F)C2)[nH+]c1C 628298634 347314862 /nfs/dbraw/zinc/31/48/62/347314862.db2.gz MLAGMWZFGXMOAI-SECBINFHSA-N 1 2 197.257 1.570 20 0 ADADLO Cc1c[nH]c(CN2CC[C@H](F)C2)[nH+]1 628298281 347314948 /nfs/dbraw/zinc/31/49/48/347314948.db2.gz ACULJDVCMUXVPS-QMMMGPOBSA-N 1 2 183.230 1.262 20 0 ADADLO Cc1c[nH]c(CN2CC[C@@H](F)C2)[nH+]1 628298280 347314965 /nfs/dbraw/zinc/31/49/65/347314965.db2.gz ACULJDVCMUXVPS-MRVPVSSYSA-N 1 2 183.230 1.262 20 0 ADADLO CCn1nccc1-c1c[nH]c(C)[nH+]1 629702905 347356237 /nfs/dbraw/zinc/35/62/37/347356237.db2.gz WIISJSVMEQVELF-UHFFFAOYSA-N 1 2 176.223 1.602 20 0 ADADLO Cc1[nH]cc(-c2cnn(C)c2)[nH+]1 629689993 347356395 /nfs/dbraw/zinc/35/63/95/347356395.db2.gz DMDCPNDUBNZPHI-UHFFFAOYSA-N 1 2 162.196 1.119 20 0 ADADLO Cc1[nH]cc(-c2ccnn2C)[nH+]1 629696900 347356507 /nfs/dbraw/zinc/35/65/07/347356507.db2.gz MUEJMGUITCZXDM-UHFFFAOYSA-N 1 2 162.196 1.119 20 0 ADADLO Cc1[nH]cc(-c2cnoc2C)[nH+]1 629713537 347356971 /nfs/dbraw/zinc/35/69/71/347356971.db2.gz PAZSSVSUQFVCCE-UHFFFAOYSA-N 1 2 163.180 1.682 20 0 ADADLO Cc1[nH]cc(-c2c(C)noc2C)[nH+]1 629712076 347357037 /nfs/dbraw/zinc/35/70/37/347357037.db2.gz QSKIJICDZCBJDM-UHFFFAOYSA-N 1 2 177.207 1.990 20 0 ADADLO Cc1[nH]cc(-c2cnn(C)c2C)[nH+]1 629730709 347357876 /nfs/dbraw/zinc/35/78/76/347357876.db2.gz SBFKUGHUOCIHFC-UHFFFAOYSA-N 1 2 176.223 1.427 20 0 ADADLO Cc1[nH+]cc(-c2cc[nH]n2)n1C 630051344 347359115 /nfs/dbraw/zinc/35/91/15/347359115.db2.gz LYQUJOPTJRRJOX-UHFFFAOYSA-N 1 2 162.196 1.119 20 0 ADADLO Cc1[nH+]cc(-c2cnn(C)c2)n1C 630050570 347359157 /nfs/dbraw/zinc/35/91/57/347359157.db2.gz SBKIOGYMXRELQM-UHFFFAOYSA-N 1 2 176.223 1.129 20 0 ADADLO Cc1oncc1-c1c[nH+]c(C)n1C 630050282 347359281 /nfs/dbraw/zinc/35/92/81/347359281.db2.gz AKMVNGQYRREKFX-UHFFFAOYSA-N 1 2 177.207 1.692 20 0 ADADLO Cc1[nH+]cc(-c2nccn2C)n1C 630052004 347359361 /nfs/dbraw/zinc/35/93/61/347359361.db2.gz HCYJCMSUQJQNDF-UHFFFAOYSA-N 1 2 176.223 1.129 20 0 ADADLO Cc1c(-c2c[nH+]c(C)n2C)cnn1C 630050793 347359380 /nfs/dbraw/zinc/35/93/80/347359380.db2.gz FJUVUIMZTATSSD-UHFFFAOYSA-N 1 2 190.250 1.437 20 0 ADADLO CC(C)c1[nH+]cc(-c2cc[nH]n2)n1C 630050431 347359419 /nfs/dbraw/zinc/35/94/19/347359419.db2.gz BINSOZTXCHISQJ-UHFFFAOYSA-N 1 2 190.250 1.934 20 0 ADADLO CCn1nccc1-c1c[nH+]c(C)n1C 630051894 347359456 /nfs/dbraw/zinc/35/94/56/347359456.db2.gz SIHWWTZYJNCPMP-UHFFFAOYSA-N 1 2 190.250 1.612 20 0 ADADLO Cc1[nH+]cc(-c2ccnn2C)n1C 630050016 347359468 /nfs/dbraw/zinc/35/94/68/347359468.db2.gz BAGIFBVWMVSKMO-UHFFFAOYSA-N 1 2 176.223 1.129 20 0 ADADLO c1cc(-c2c[nH+]c3n2CCCC3)n[nH]1 630051392 347359544 /nfs/dbraw/zinc/35/95/44/347359544.db2.gz MILULGBRESUNHD-UHFFFAOYSA-N 1 2 188.234 1.610 20 0 ADADLO C[C@@H]1OCC[C@H]1Cn1cc[nH+]c1 631011742 347373754 /nfs/dbraw/zinc/37/37/54/347373754.db2.gz CRVMGLHSAOZYET-IUCAKERBSA-N 1 2 166.224 1.308 20 0 ADADLO C[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 631011741 347373768 /nfs/dbraw/zinc/37/37/68/347373768.db2.gz CRVMGLHSAOZYET-DTWKUNHWSA-N 1 2 166.224 1.308 20 0 ADADLO C[C@H]1OCC[C@H]1Cn1cc[nH+]c1 631011739 347373786 /nfs/dbraw/zinc/37/37/86/347373786.db2.gz CRVMGLHSAOZYET-BDAKNGLRSA-N 1 2 166.224 1.308 20 0 ADADLO C[C@H]1OCC[C@@H]1Cn1cc[nH+]c1 631011743 347373904 /nfs/dbraw/zinc/37/39/04/347373904.db2.gz CRVMGLHSAOZYET-RKDXNWHRSA-N 1 2 166.224 1.308 20 0 ADADLO C[C@H]1OCC[C@@H]1COCc1[nH]cc[nH+]1 631013613 347374457 /nfs/dbraw/zinc/37/44/57/347374457.db2.gz BXDGWDNRGXUFIM-RKDXNWHRSA-N 1 2 196.250 1.351 20 0 ADADLO C[C@H]1OCC[C@H]1COCc1[nH]cc[nH+]1 631013602 347374693 /nfs/dbraw/zinc/37/46/93/347374693.db2.gz BXDGWDNRGXUFIM-BDAKNGLRSA-N 1 2 196.250 1.351 20 0 ADADLO C[C@@H]1OCC[C@@H]1COCc1[nH]cc[nH+]1 631013610 347374827 /nfs/dbraw/zinc/37/48/27/347374827.db2.gz BXDGWDNRGXUFIM-DTWKUNHWSA-N 1 2 196.250 1.351 20 0 ADADLO C[C@@H]1OCC[C@H]1COCc1[nH]cc[nH+]1 631013612 347374836 /nfs/dbraw/zinc/37/48/36/347374836.db2.gz BXDGWDNRGXUFIM-IUCAKERBSA-N 1 2 196.250 1.351 20 0 ADADLO CNc1[nH+]c(C2CC2)nc2[nH]ccc12 631031919 347375363 /nfs/dbraw/zinc/37/53/63/347375363.db2.gz NOPFHFOSWIDYDC-UHFFFAOYSA-N 1 2 188.234 1.829 20 0 ADADLO Cc1cc(C[NH2+][C@H](C)CF)on1 631137284 347376139 /nfs/dbraw/zinc/37/61/39/347376139.db2.gz YMTNVUOIKDACSF-SSDOTTSWSA-N 1 2 172.203 1.431 20 0 ADADLO Cc1cc(C[NH2+][C@@H](C)CF)on1 631137288 347376365 /nfs/dbraw/zinc/37/63/65/347376365.db2.gz YMTNVUOIKDACSF-ZETCQYMHSA-N 1 2 172.203 1.431 20 0 ADADLO CN(C)c1c[nH+]cc(NCC2CC2)c1 631203528 347379305 /nfs/dbraw/zinc/37/93/05/347379305.db2.gz PBUJGIFIGWVUOV-UHFFFAOYSA-N 1 2 191.278 1.970 20 0 ADADLO CCc1cc(N(C)CCF)nc[nH+]1 631296098 347380854 /nfs/dbraw/zinc/38/08/54/347380854.db2.gz KVTOLMZPHHOOBS-UHFFFAOYSA-N 1 2 183.230 1.445 20 0 ADADLO Cc1nc(N(C)CCF)cc[nH+]1 631294344 347381107 /nfs/dbraw/zinc/38/11/07/347381107.db2.gz DPBDVYQKCFLWEG-UHFFFAOYSA-N 1 2 169.203 1.191 20 0 ADADLO Cc1cc(N(C)CCF)nc[nH+]1 631297376 347381135 /nfs/dbraw/zinc/38/11/35/347381135.db2.gz XFNQQPYGHNVZJA-UHFFFAOYSA-N 1 2 169.203 1.191 20 0 ADADLO CC[C@H](C)Cc1noc(C[NH+](C)C)n1 632248456 347395064 /nfs/dbraw/zinc/39/50/64/347395064.db2.gz RDDLRFWHQZBZOS-QMMMGPOBSA-N 1 2 197.282 1.720 20 0 ADADLO CC[C@@H](C)Cc1noc(C[NH+](C)C)n1 632248455 347395300 /nfs/dbraw/zinc/39/53/00/347395300.db2.gz RDDLRFWHQZBZOS-MRVPVSSYSA-N 1 2 197.282 1.720 20 0 ADADLO C[C@H]1OCC[C@H]1COc1cc[nH+]cc1 634547875 347413685 /nfs/dbraw/zinc/41/36/85/347413685.db2.gz HKMBHLGOOBHITM-ZJUUUORDSA-N 1 2 193.246 1.885 20 0 ADADLO C[C@@H]1OCC[C@H]1COc1cc[nH+]cc1 634547873 347413715 /nfs/dbraw/zinc/41/37/15/347413715.db2.gz HKMBHLGOOBHITM-UWVGGRQHSA-N 1 2 193.246 1.885 20 0 ADADLO C[C@H](CF)[NH2+]Cc1ccon1 634981135 347430533 /nfs/dbraw/zinc/43/05/33/347430533.db2.gz ZDHMHUJXAOEONU-ZCFIWIBFSA-N 1 2 158.176 1.122 20 0 ADADLO C[C@@H](CF)[NH2+]Cc1ccon1 634981134 347431350 /nfs/dbraw/zinc/43/13/50/347431350.db2.gz ZDHMHUJXAOEONU-LURJTMIESA-N 1 2 158.176 1.122 20 0 ADADLO C[C@H]1C[N@H+](Cc2ccns2)CCO1 637883547 347467996 /nfs/dbraw/zinc/46/79/96/347467996.db2.gz OZFKLCUWRCFRPE-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@H]1C[N@@H+](Cc2ccns2)CCO1 637883547 347467997 /nfs/dbraw/zinc/46/79/97/347467997.db2.gz OZFKLCUWRCFRPE-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccns2)CCO1 637883546 347468125 /nfs/dbraw/zinc/46/81/25/347468125.db2.gz OZFKLCUWRCFRPE-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccns2)CCO1 637883546 347468127 /nfs/dbraw/zinc/46/81/27/347468127.db2.gz OZFKLCUWRCFRPE-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO CC[C@@](C)(C[N@H+](C)CC(F)F)OC 637973542 347471964 /nfs/dbraw/zinc/47/19/64/347471964.db2.gz KRUUWBJKEMELND-VIFPVBQESA-N 1 2 195.253 1.998 20 0 ADADLO CC[C@@](C)(C[N@@H+](C)CC(F)F)OC 637973542 347471967 /nfs/dbraw/zinc/47/19/67/347471967.db2.gz KRUUWBJKEMELND-VIFPVBQESA-N 1 2 195.253 1.998 20 0 ADADLO CC[C@](C)(C[N@H+](C)CC(F)F)OC 637973541 347472080 /nfs/dbraw/zinc/47/20/80/347472080.db2.gz KRUUWBJKEMELND-SECBINFHSA-N 1 2 195.253 1.998 20 0 ADADLO CC[C@](C)(C[N@@H+](C)CC(F)F)OC 637973541 347472086 /nfs/dbraw/zinc/47/20/86/347472086.db2.gz KRUUWBJKEMELND-SECBINFHSA-N 1 2 195.253 1.998 20 0 ADADLO COCC1([NH2+]Cc2ncc(C)o2)CC1 638769803 347491634 /nfs/dbraw/zinc/49/16/34/347491634.db2.gz ZXMRFFZDLNESAL-UHFFFAOYSA-N 1 2 196.250 1.252 20 0 ADADLO C[C@@H]1COCC[N@@H+]1Cc1ccns1 639125876 347502460 /nfs/dbraw/zinc/50/24/60/347502460.db2.gz OYNFTELHQNBTGC-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@@H]1COCC[N@H+]1Cc1ccns1 639125876 347502462 /nfs/dbraw/zinc/50/24/62/347502462.db2.gz OYNFTELHQNBTGC-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO FCC[NH2+]Cc1nc2ccccc2o1 639133208 347503065 /nfs/dbraw/zinc/50/30/65/347503065.db2.gz JMJUMVKQPFLQKL-UHFFFAOYSA-N 1 2 194.209 1.887 20 0 ADADLO CO[C@H](C[NH2+]CC(F)F)CC(C)C 639161549 347503106 /nfs/dbraw/zinc/50/31/06/347503106.db2.gz DQWUJNLSUZNEFB-QMMMGPOBSA-N 1 2 195.253 1.902 20 0 ADADLO CO[C@@H](C[NH2+]CC(F)F)CC(C)C 639161548 347503350 /nfs/dbraw/zinc/50/33/50/347503350.db2.gz DQWUJNLSUZNEFB-MRVPVSSYSA-N 1 2 195.253 1.902 20 0 ADADLO Cc1cnc(C[NH2+][C@H](C)CF)o1 639184020 347504307 /nfs/dbraw/zinc/50/43/07/347504307.db2.gz ZDMWPYVIEXLINK-ZCFIWIBFSA-N 1 2 172.203 1.431 20 0 ADADLO Cc1cnc(C[NH2+][C@@H](C)CF)o1 639184019 347504320 /nfs/dbraw/zinc/50/43/20/347504320.db2.gz ZDMWPYVIEXLINK-LURJTMIESA-N 1 2 172.203 1.431 20 0 ADADLO C[C@@H](CF)[NH2+]Cc1cc(C2CC2)no1 639184057 347504328 /nfs/dbraw/zinc/50/43/28/347504328.db2.gz ZUEOJSMVZVCVOK-ZETCQYMHSA-N 1 2 198.241 2.000 20 0 ADADLO C[C@H](CF)[NH2+]Cc1cc(C2CC2)no1 639184056 347504733 /nfs/dbraw/zinc/50/47/33/347504733.db2.gz ZUEOJSMVZVCVOK-SSDOTTSWSA-N 1 2 198.241 2.000 20 0 ADADLO C[C@H]1COCC[N@@H+]1Cc1ccns1 639218635 347506105 /nfs/dbraw/zinc/50/61/05/347506105.db2.gz OYNFTELHQNBTGC-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@H]1COCC[N@H+]1Cc1ccns1 639218635 347506106 /nfs/dbraw/zinc/50/61/06/347506106.db2.gz OYNFTELHQNBTGC-QMMMGPOBSA-N 1 2 198.291 1.364 20 0 ADADLO F[C@H]1CC[N@H+](Cc2ccns2)C1 639228950 347507192 /nfs/dbraw/zinc/50/71/92/347507192.db2.gz SHZAPPLMODUCND-ZETCQYMHSA-N 1 2 186.255 1.687 20 0 ADADLO F[C@H]1CC[N@@H+](Cc2ccns2)C1 639228950 347507194 /nfs/dbraw/zinc/50/71/94/347507194.db2.gz SHZAPPLMODUCND-ZETCQYMHSA-N 1 2 186.255 1.687 20 0 ADADLO F[C@@H]1CC[N@H+](Cc2ccns2)C1 639228944 347507303 /nfs/dbraw/zinc/50/73/03/347507303.db2.gz SHZAPPLMODUCND-SSDOTTSWSA-N 1 2 186.255 1.687 20 0 ADADLO F[C@@H]1CC[N@@H+](Cc2ccns2)C1 639228944 347507305 /nfs/dbraw/zinc/50/73/05/347507305.db2.gz SHZAPPLMODUCND-SSDOTTSWSA-N 1 2 186.255 1.687 20 0 ADADLO Cc1ncsc1C[NH+]1CC(C)(O)C1 639253517 347507695 /nfs/dbraw/zinc/50/76/95/347507695.db2.gz ILVAXQMJTOFDDS-UHFFFAOYSA-N 1 2 198.291 1.018 20 0 ADADLO CCc1ccc(C[NH+]2CC(C)(O)C2)o1 639253600 347507772 /nfs/dbraw/zinc/50/77/72/347507772.db2.gz KVAWFGUTEWVQHJ-UHFFFAOYSA-N 1 2 195.262 1.409 20 0 ADADLO CCC1C[NH+](Cc2ncnn2CC)C1 639249289 347507811 /nfs/dbraw/zinc/50/78/11/347507811.db2.gz UPCDORATXDHQBK-UHFFFAOYSA-N 1 2 194.282 1.140 20 0 ADADLO CCC1C[NH+](Cc2ncc(C)o2)C1 639249690 347507887 /nfs/dbraw/zinc/50/78/87/347507887.db2.gz YRRRINPCEXZHOE-UHFFFAOYSA-N 1 2 180.251 1.825 20 0 ADADLO CCC1C[NH+](Cc2ccon2)C1 639249753 347508097 /nfs/dbraw/zinc/50/80/97/347508097.db2.gz ZGPYDTCKMJTKFZ-UHFFFAOYSA-N 1 2 166.224 1.516 20 0 ADADLO Cc1occc1C[NH+]1CC(C)(O)C1 639253214 347508105 /nfs/dbraw/zinc/50/81/05/347508105.db2.gz ARBYHZTYQMVIES-UHFFFAOYSA-N 1 2 181.235 1.155 20 0 ADADLO Cc1sccc1C[NH+]1CC(C)(O)C1 639254051 347508355 /nfs/dbraw/zinc/50/83/55/347508355.db2.gz XUWULUZQOWAQKZ-UHFFFAOYSA-N 1 2 197.303 1.623 20 0 ADADLO CCC1(C)C[NH+](Cc2ncnn2C)C1 639255798 347508373 /nfs/dbraw/zinc/50/83/73/347508373.db2.gz ZNDGKOQLHSXUNW-UHFFFAOYSA-N 1 2 194.282 1.047 20 0 ADADLO Cc1ccoc1C[NH+]1CC(C)(O)C1 639253886 347508392 /nfs/dbraw/zinc/50/83/92/347508392.db2.gz SUZOPTZDGLVJBE-UHFFFAOYSA-N 1 2 181.235 1.155 20 0 ADADLO COCC1(C)C[NH+](Cc2ccon2)C1 639254954 347508520 /nfs/dbraw/zinc/50/85/20/347508520.db2.gz IICMLRXIJIPBJG-UHFFFAOYSA-N 1 2 196.250 1.143 20 0 ADADLO CCC1(C)C[NH+](Cc2ccon2)C1 639255052 347508889 /nfs/dbraw/zinc/50/88/89/347508889.db2.gz MDJXWKLMDMHQDV-UHFFFAOYSA-N 1 2 180.251 1.907 20 0 ADADLO C[C@H]1C[C@H]1C[N@@H+]1Cc2cnn(C)c2C1 639319932 347510716 /nfs/dbraw/zinc/51/07/16/347510716.db2.gz JFRDGUOGLIJWHP-IUCAKERBSA-N 1 2 191.278 1.392 20 0 ADADLO C[C@H]1C[C@@H]1C[N@@H+]1Cc2cnn(C)c2C1 639319930 347510339 /nfs/dbraw/zinc/51/03/39/347510339.db2.gz JFRDGUOGLIJWHP-DTWKUNHWSA-N 1 2 191.278 1.392 20 0 ADADLO C[C@H]1C[C@@H]1C[N@H+]1Cc2cnn(C)c2C1 639319930 347510343 /nfs/dbraw/zinc/51/03/43/347510343.db2.gz JFRDGUOGLIJWHP-DTWKUNHWSA-N 1 2 191.278 1.392 20 0 ADADLO Cn1ncc2c1C[N@@H+](CC1(C)CC1)C2 639320954 347510741 /nfs/dbraw/zinc/51/07/41/347510741.db2.gz QESGNKQPAOEIOQ-UHFFFAOYSA-N 1 2 191.278 1.536 20 0 ADADLO CC(C)C[N@@H+]1Cc2cnn(C)c2C1 639320980 347510473 /nfs/dbraw/zinc/51/04/73/347510473.db2.gz RCOGYTOPJCRMBU-UHFFFAOYSA-N 1 2 179.267 1.392 20 0 ADADLO CC(C)C[N@H+]1Cc2cnn(C)c2C1 639320980 347510477 /nfs/dbraw/zinc/51/04/77/347510477.db2.gz RCOGYTOPJCRMBU-UHFFFAOYSA-N 1 2 179.267 1.392 20 0 ADADLO C[C@@H]1C[C@@H]1C[N@@H+]1Cc2cnn(C)c2C1 639319933 347510559 /nfs/dbraw/zinc/51/05/59/347510559.db2.gz JFRDGUOGLIJWHP-RKDXNWHRSA-N 1 2 191.278 1.392 20 0 ADADLO C[C@@H]1C[C@@H]1C[N@H+]1Cc2cnn(C)c2C1 639319933 347510562 /nfs/dbraw/zinc/51/05/62/347510562.db2.gz JFRDGUOGLIJWHP-RKDXNWHRSA-N 1 2 191.278 1.392 20 0 ADADLO C[C@H]1C[C@H]1C[N@H+]1Cc2cnn(C)c2C1 639319932 347510718 /nfs/dbraw/zinc/51/07/18/347510718.db2.gz JFRDGUOGLIJWHP-IUCAKERBSA-N 1 2 191.278 1.392 20 0 ADADLO Cn1ncc2c1C[N@H+](CC1(C)CC1)C2 639320954 347510739 /nfs/dbraw/zinc/51/07/39/347510739.db2.gz QESGNKQPAOEIOQ-UHFFFAOYSA-N 1 2 191.278 1.536 20 0 ADADLO Cc1cc(C[N@@H+]2CCC[C@@H](F)C2)on1 639313134 347510751 /nfs/dbraw/zinc/51/07/51/347510751.db2.gz NWTYQZJFJWVHKQ-SECBINFHSA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@H+]2CCC[C@@H](F)C2)on1 639313134 347510754 /nfs/dbraw/zinc/51/07/54/347510754.db2.gz NWTYQZJFJWVHKQ-SECBINFHSA-N 1 2 198.241 1.917 20 0 ADADLO Cn1ncc2c1C[N@H+](CC1CC1)C2 639321686 347510789 /nfs/dbraw/zinc/51/07/89/347510789.db2.gz XZIIKHAQRNISOO-UHFFFAOYSA-N 1 2 177.251 1.146 20 0 ADADLO C[C@@H]1C[C@H]1C[N@@H+]1Cc2cnn(C)c2C1 639319922 347510802 /nfs/dbraw/zinc/51/08/02/347510802.db2.gz JFRDGUOGLIJWHP-BDAKNGLRSA-N 1 2 191.278 1.392 20 0 ADADLO C[C@@H]1C[C@H]1C[N@H+]1Cc2cnn(C)c2C1 639319922 347510805 /nfs/dbraw/zinc/51/08/05/347510805.db2.gz JFRDGUOGLIJWHP-BDAKNGLRSA-N 1 2 191.278 1.392 20 0 ADADLO Cc1cc(C[N@@H+]2CCC[C@H](F)C2)on1 639313135 347510815 /nfs/dbraw/zinc/51/08/15/347510815.db2.gz NWTYQZJFJWVHKQ-VIFPVBQESA-N 1 2 198.241 1.917 20 0 ADADLO Cc1cc(C[N@H+]2CCC[C@H](F)C2)on1 639313135 347510816 /nfs/dbraw/zinc/51/08/16/347510816.db2.gz NWTYQZJFJWVHKQ-VIFPVBQESA-N 1 2 198.241 1.917 20 0 ADADLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ncc(C)o1 639329388 347511996 /nfs/dbraw/zinc/51/19/96/347511996.db2.gz DOBFOTVOAAWIQK-SCZZXKLOSA-N 1 2 196.250 1.250 20 0 ADADLO Cc1cnc(C[NH2+]C2(C)COC2)s1 639380838 347514668 /nfs/dbraw/zinc/51/46/68/347514668.db2.gz KVEDIWBZOURUSB-UHFFFAOYSA-N 1 2 198.291 1.330 20 0 ADADLO CC(C)Nc1c[nH+]cc(N(C)C)c1 639366615 347514769 /nfs/dbraw/zinc/51/47/69/347514769.db2.gz XCFQOQSTPWPVIN-UHFFFAOYSA-N 1 2 179.267 1.968 20 0 ADADLO CC1([NH2+]Cc2ccncc2F)COC1 639380995 347514990 /nfs/dbraw/zinc/51/49/90/347514990.db2.gz MXQFSLIGPXYDEF-UHFFFAOYSA-N 1 2 196.225 1.099 20 0 ADADLO CC1([NH2+]Cc2cscn2)COC1 639381369 347515021 /nfs/dbraw/zinc/51/50/21/347515021.db2.gz BQADFVGEWCAKKI-UHFFFAOYSA-N 1 2 184.264 1.022 20 0 ADADLO CC1([NH2+]Cc2nccs2)COC1 639381859 347515511 /nfs/dbraw/zinc/51/55/11/347515511.db2.gz KAAZILAXEQTNPV-UHFFFAOYSA-N 1 2 184.264 1.022 20 0 ADADLO Cc1[nH+]cc(CN2CC(C)(C)C2)n1C 639393147 347515720 /nfs/dbraw/zinc/51/57/20/347515720.db2.gz GSVHNQOTAONXKA-UHFFFAOYSA-N 1 2 193.294 1.570 20 0 ADADLO Cc1cc(C[NH+]2CC(C)(C)C2)nn1C 639393708 347515723 /nfs/dbraw/zinc/51/57/23/347515723.db2.gz SHRSZTWFAQTVFK-UHFFFAOYSA-N 1 2 193.294 1.570 20 0 ADADLO Cc1[nH]c(CN2CC(C)(C)C2)[nH+]c1C 639393657 347515784 /nfs/dbraw/zinc/51/57/84/347515784.db2.gz RGAHNPGJUOYRNO-UHFFFAOYSA-N 1 2 193.294 1.868 20 0 ADADLO Cc1nc(C[NH+]2CC(C)(C)C2)[nH]c1C 639393657 347515787 /nfs/dbraw/zinc/51/57/87/347515787.db2.gz RGAHNPGJUOYRNO-UHFFFAOYSA-N 1 2 193.294 1.868 20 0 ADADLO Cc1nnsc1C[NH+]1CC(C)(C)C1 639393300 347515833 /nfs/dbraw/zinc/51/58/33/347515833.db2.gz IIXMAPPVVVCLBA-UHFFFAOYSA-N 1 2 197.307 1.688 20 0 ADADLO CCn1ncnc1C[NH+]1CC(C)(C)C1 639393293 347515899 /nfs/dbraw/zinc/51/58/99/347515899.db2.gz IAPNSKZSZSSEQF-UHFFFAOYSA-N 1 2 194.282 1.140 20 0 ADADLO Cc1cnc(C[NH+]2CC(C)(C)C2)o1 639393170 347515907 /nfs/dbraw/zinc/51/59/07/347515907.db2.gz HFMCXKQXWBQWQG-UHFFFAOYSA-N 1 2 180.251 1.825 20 0 ADADLO CCn1nncc1C[NH+]1CC(C)(C)C1 639392863 347515920 /nfs/dbraw/zinc/51/59/20/347515920.db2.gz BHKSHOYYECTZSO-UHFFFAOYSA-N 1 2 194.282 1.140 20 0 ADADLO CC1(C)C[NH+](Cc2ccon2)C1 639393566 347516011 /nfs/dbraw/zinc/51/60/11/347516011.db2.gz NPPAQIORWCJGHP-UHFFFAOYSA-N 1 2 166.224 1.516 20 0 ADADLO Cc1cn[nH]c1C[NH+]1CC(C)(C)C1 639392971 347516029 /nfs/dbraw/zinc/51/60/29/347516029.db2.gz DEABBYVEZBYAOI-UHFFFAOYSA-N 1 2 179.267 1.560 20 0 ADADLO Cc1c[nH]c(C[NH+]2CC(C)(C)C2)n1 639393552 347516085 /nfs/dbraw/zinc/51/60/85/347516085.db2.gz NBMOJUFPGQUQBW-UHFFFAOYSA-N 1 2 179.267 1.560 20 0 ADADLO CC1(F)CC[NH+](Cc2ncc[nH]2)CC1 639388428 347516104 /nfs/dbraw/zinc/51/61/04/347516104.db2.gz AFDZRMRETLCUOW-UHFFFAOYSA-N 1 2 197.257 1.734 20 0 ADADLO CC1(C)C[NH+](Cc2nccs2)C1 639403599 347516470 /nfs/dbraw/zinc/51/64/70/347516470.db2.gz GBSROJBHUXNNDA-UHFFFAOYSA-N 1 2 182.292 1.985 20 0 ADADLO Cc1[nH]ncc1C[NH+]1CC(C)(C)C1 639404894 347516575 /nfs/dbraw/zinc/51/65/75/347516575.db2.gz INVLITMHVQCRNM-UHFFFAOYSA-N 1 2 179.267 1.560 20 0 ADADLO CC1(C)C[NH+](Cc2cscn2)C1 639404896 347516646 /nfs/dbraw/zinc/51/66/46/347516646.db2.gz IPCWANXIIAPQJD-UHFFFAOYSA-N 1 2 182.292 1.985 20 0 ADADLO Cn1ccc(C[NH+]2CC(C)(C)C2)n1 639403605 347516661 /nfs/dbraw/zinc/51/66/61/347516661.db2.gz GIMUPDGXDFLCBX-UHFFFAOYSA-N 1 2 179.267 1.262 20 0 ADADLO CCn1ccnc1C[NH+]1CC(C)(C)C1 639402314 347516722 /nfs/dbraw/zinc/51/67/22/347516722.db2.gz AGSUMJAUVIOWTO-UHFFFAOYSA-N 1 2 193.294 1.745 20 0 ADADLO CC1(C)C[NH+](Cc2cc[nH]n2)C1 639404887 347516795 /nfs/dbraw/zinc/51/67/95/347516795.db2.gz IFRCOBPBUZYLJH-UHFFFAOYSA-N 1 2 165.240 1.252 20 0 ADADLO C[C@@H]1OCC[C@@H]1C[N@H+](C)CC(F)F 639476319 347519276 /nfs/dbraw/zinc/51/92/76/347519276.db2.gz LCCBOVHRGRCDIO-JGVFFNPUSA-N 1 2 193.237 1.608 20 0 ADADLO C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC(F)F 639476319 347519280 /nfs/dbraw/zinc/51/92/80/347519280.db2.gz LCCBOVHRGRCDIO-JGVFFNPUSA-N 1 2 193.237 1.608 20 0 ADADLO C[C@@H]1OCC[C@H]1C[N@H+](C)CC(F)F 639476322 347519300 /nfs/dbraw/zinc/51/93/00/347519300.db2.gz LCCBOVHRGRCDIO-YUMQZZPRSA-N 1 2 193.237 1.608 20 0 ADADLO C[C@@H]1OCC[C@H]1C[N@@H+](C)CC(F)F 639476322 347519302 /nfs/dbraw/zinc/51/93/02/347519302.db2.gz LCCBOVHRGRCDIO-YUMQZZPRSA-N 1 2 193.237 1.608 20 0 ADADLO CC[N@H+](CC(C)=O)Cc1ccoc1 639470431 347519460 /nfs/dbraw/zinc/51/94/60/347519460.db2.gz NVODLMHABDIDNQ-UHFFFAOYSA-N 1 2 181.235 1.691 20 0 ADADLO CC[N@@H+](CC(C)=O)Cc1ccoc1 639470431 347519463 /nfs/dbraw/zinc/51/94/63/347519463.db2.gz NVODLMHABDIDNQ-UHFFFAOYSA-N 1 2 181.235 1.691 20 0 ADADLO CCC(F)(F)C[N@@H+]1CC[C@H](O)C1 639476884 347519514 /nfs/dbraw/zinc/51/95/14/347519514.db2.gz UBBGOKGEUZHLJR-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO CCC(F)(F)C[N@H+]1CC[C@H](O)C1 639476884 347519518 /nfs/dbraw/zinc/51/95/18/347519518.db2.gz UBBGOKGEUZHLJR-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@H]1OCC[C@H]1C[N@H+](C)CC(F)F 639476321 347519586 /nfs/dbraw/zinc/51/95/86/347519586.db2.gz LCCBOVHRGRCDIO-SFYZADRCSA-N 1 2 193.237 1.608 20 0 ADADLO C[C@H]1OCC[C@H]1C[N@@H+](C)CC(F)F 639476321 347519589 /nfs/dbraw/zinc/51/95/89/347519589.db2.gz LCCBOVHRGRCDIO-SFYZADRCSA-N 1 2 193.237 1.608 20 0 ADADLO CCC(F)(F)C[N@@H+]1CC[C@@H](O)C1 639475780 347519596 /nfs/dbraw/zinc/51/95/96/347519596.db2.gz UBBGOKGEUZHLJR-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO CCC(F)(F)C[N@H+]1CC[C@@H](O)C1 639475780 347519601 /nfs/dbraw/zinc/51/96/01/347519601.db2.gz UBBGOKGEUZHLJR-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@H]1OCC[C@@H]1C[N@H+](C)CC(F)F 639476318 347519846 /nfs/dbraw/zinc/51/98/46/347519846.db2.gz LCCBOVHRGRCDIO-HTQZYQBOSA-N 1 2 193.237 1.608 20 0 ADADLO C[C@H]1OCC[C@@H]1C[N@@H+](C)CC(F)F 639476318 347519850 /nfs/dbraw/zinc/51/98/50/347519850.db2.gz LCCBOVHRGRCDIO-HTQZYQBOSA-N 1 2 193.237 1.608 20 0 ADADLO CC[C@@H]1C[N@H+](CC(C)=O)C[C@H](C)O1 639486275 347520205 /nfs/dbraw/zinc/52/02/05/347520205.db2.gz JJBDDLKUXBMIOJ-VHSXEESVSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1C[N@@H+](CC(C)=O)C[C@H](C)O1 639486275 347520209 /nfs/dbraw/zinc/52/02/09/347520209.db2.gz JJBDDLKUXBMIOJ-VHSXEESVSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1C[N@H+](CC(C)=O)C[C@@H](C)O1 639486273 347520256 /nfs/dbraw/zinc/52/02/56/347520256.db2.gz JJBDDLKUXBMIOJ-NXEZZACHSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1C[N@@H+](CC(C)=O)C[C@@H](C)O1 639486273 347520258 /nfs/dbraw/zinc/52/02/58/347520258.db2.gz JJBDDLKUXBMIOJ-NXEZZACHSA-N 1 2 185.267 1.075 20 0 ADADLO CC[N@H+](CCC(F)(F)F)CC(C)=O 639485157 347520402 /nfs/dbraw/zinc/52/04/02/347520402.db2.gz MPZPEGOEHQQSMC-UHFFFAOYSA-N 1 2 197.200 1.850 20 0 ADADLO CC[N@@H+](CCC(F)(F)F)CC(C)=O 639485157 347520404 /nfs/dbraw/zinc/52/04/04/347520404.db2.gz MPZPEGOEHQQSMC-UHFFFAOYSA-N 1 2 197.200 1.850 20 0 ADADLO CC(=O)C[N@H+]1CCOC[C@H]1CC(C)C 639488618 347520464 /nfs/dbraw/zinc/52/04/64/347520464.db2.gz KMCRBSDWGSXSDX-LLVKDONJSA-N 1 2 199.294 1.322 20 0 ADADLO CC(=O)C[N@@H+]1CCOC[C@H]1CC(C)C 639488618 347520465 /nfs/dbraw/zinc/52/04/65/347520465.db2.gz KMCRBSDWGSXSDX-LLVKDONJSA-N 1 2 199.294 1.322 20 0 ADADLO CC[C@H]1C[N@H+](CC(C)=O)C[C@@H](C)O1 639486276 347520595 /nfs/dbraw/zinc/52/05/95/347520595.db2.gz JJBDDLKUXBMIOJ-ZJUUUORDSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1C[N@@H+](CC(C)=O)C[C@@H](C)O1 639486276 347520596 /nfs/dbraw/zinc/52/05/96/347520596.db2.gz JJBDDLKUXBMIOJ-ZJUUUORDSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1C[N@@H+](CC(C)=O)C[C@H](C)O1 639486274 347520632 /nfs/dbraw/zinc/52/06/32/347520632.db2.gz JJBDDLKUXBMIOJ-UWVGGRQHSA-N 1 2 185.267 1.075 20 0 ADADLO CC(=O)C[N@H+]1CCOC[C@@H]1CC(C)C 639488789 347520677 /nfs/dbraw/zinc/52/06/77/347520677.db2.gz KMCRBSDWGSXSDX-NSHDSACASA-N 1 2 199.294 1.322 20 0 ADADLO CC(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C 639488789 347520680 /nfs/dbraw/zinc/52/06/80/347520680.db2.gz KMCRBSDWGSXSDX-NSHDSACASA-N 1 2 199.294 1.322 20 0 ADADLO CC(=O)C[N@@H+](C)Cc1cccc(O)c1 639509724 347521652 /nfs/dbraw/zinc/52/16/52/347521652.db2.gz KRJADJFRNSXGSR-UHFFFAOYSA-N 1 2 193.246 1.413 20 0 ADADLO CC(=O)C[N@H+](C)Cc1cccc(O)c1 639509724 347521655 /nfs/dbraw/zinc/52/16/55/347521655.db2.gz KRJADJFRNSXGSR-UHFFFAOYSA-N 1 2 193.246 1.413 20 0 ADADLO CCC[C@H]1C[N@H+](CC(C)=O)CCO1 639549275 347523078 /nfs/dbraw/zinc/52/30/78/347523078.db2.gz QKADENAKBHCGLS-JTQLQIEISA-N 1 2 185.267 1.076 20 0 ADADLO CCC[C@H]1C[N@@H+](CC(C)=O)CCO1 639549275 347523080 /nfs/dbraw/zinc/52/30/80/347523080.db2.gz QKADENAKBHCGLS-JTQLQIEISA-N 1 2 185.267 1.076 20 0 ADADLO CC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 639551709 347523283 /nfs/dbraw/zinc/52/32/83/347523283.db2.gz RBJWLOKLVWFBIJ-SNVBAGLBSA-N 1 2 192.262 1.663 20 0 ADADLO CC(=O)C[N@H+](C)[C@H](C)c1cccnc1 639551709 347523287 /nfs/dbraw/zinc/52/32/87/347523287.db2.gz RBJWLOKLVWFBIJ-SNVBAGLBSA-N 1 2 192.262 1.663 20 0 ADADLO CC[C@]1(C)COCC[N@@H+]1CC(C)=O 639552449 347523315 /nfs/dbraw/zinc/52/33/15/347523315.db2.gz YANBVMAJWREMLP-SNVBAGLBSA-N 1 2 185.267 1.076 20 0 ADADLO CC[C@]1(C)COCC[N@H+]1CC(C)=O 639552449 347523319 /nfs/dbraw/zinc/52/33/19/347523319.db2.gz YANBVMAJWREMLP-SNVBAGLBSA-N 1 2 185.267 1.076 20 0 ADADLO CC(=O)C[NH2+]C(C)(C)c1nccs1 639537297 347523437 /nfs/dbraw/zinc/52/34/37/347523437.db2.gz TXRMUQGNAQBRFP-UHFFFAOYSA-N 1 2 198.291 1.557 20 0 ADADLO CC[C@@]1(C)COCC[N@@H+]1CC(C)=O 639552448 347523469 /nfs/dbraw/zinc/52/34/69/347523469.db2.gz YANBVMAJWREMLP-JTQLQIEISA-N 1 2 185.267 1.076 20 0 ADADLO CC[C@@]1(C)COCC[N@H+]1CC(C)=O 639552448 347523472 /nfs/dbraw/zinc/52/34/72/347523472.db2.gz YANBVMAJWREMLP-JTQLQIEISA-N 1 2 185.267 1.076 20 0 ADADLO CC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 639551851 347523492 /nfs/dbraw/zinc/52/34/92/347523492.db2.gz SXJCEDGZDACEFB-JTQLQIEISA-N 1 2 192.262 1.663 20 0 ADADLO CC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 639551851 347523496 /nfs/dbraw/zinc/52/34/96/347523496.db2.gz SXJCEDGZDACEFB-JTQLQIEISA-N 1 2 192.262 1.663 20 0 ADADLO CC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 639551852 347523585 /nfs/dbraw/zinc/52/35/85/347523585.db2.gz SXJCEDGZDACEFB-SNVBAGLBSA-N 1 2 192.262 1.663 20 0 ADADLO CC(=O)C[N@H+](C)[C@H](C)c1ccccn1 639551852 347523589 /nfs/dbraw/zinc/52/35/89/347523589.db2.gz SXJCEDGZDACEFB-SNVBAGLBSA-N 1 2 192.262 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CC1(F)CC[NH+](Cc2cnn[nH]2)CC1 640071645 347544702 /nfs/dbraw/zinc/54/47/02/347544702.db2.gz OYVDRCOTIGLKRG-UHFFFAOYSA-N 1 2 198.245 1.129 20 0 ADADLO CC1(F)CC[NH+](Cc2c[nH]nn2)CC1 640071645 347544705 /nfs/dbraw/zinc/54/47/05/347544705.db2.gz OYVDRCOTIGLKRG-UHFFFAOYSA-N 1 2 198.245 1.129 20 0 ADADLO CC1(F)CC[NH+](Cc2cn[nH]n2)CC1 640071645 347544707 /nfs/dbraw/zinc/54/47/07/347544707.db2.gz OYVDRCOTIGLKRG-UHFFFAOYSA-N 1 2 198.245 1.129 20 0 ADADLO O[C@@H]1C[C@@H]2C[C@H](C1)C[N@H+]2CC(F)F 640078388 347545229 /nfs/dbraw/zinc/54/52/29/347545229.db2.gz PMZJMKPTCJRQNY-CSMHCCOUSA-N 1 2 191.221 1.097 20 0 ADADLO O[C@@H]1C[C@@H]2C[C@H](C1)C[N@@H+]2CC(F)F 640078388 347545231 /nfs/dbraw/zinc/54/52/31/347545231.db2.gz PMZJMKPTCJRQNY-CSMHCCOUSA-N 1 2 191.221 1.097 20 0 ADADLO O[C@H]1C[C@@H]2C[C@H](C1)C[N@H+]2CC(F)F 640078389 347545254 /nfs/dbraw/zinc/54/52/54/347545254.db2.gz PMZJMKPTCJRQNY-GJMOJQLCSA-N 1 2 191.221 1.097 20 0 ADADLO O[C@H]1C[C@@H]2C[C@H](C1)C[N@@H+]2CC(F)F 640078389 347545257 /nfs/dbraw/zinc/54/52/57/347545257.db2.gz PMZJMKPTCJRQNY-GJMOJQLCSA-N 1 2 191.221 1.097 20 0 ADADLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(F)F 640222273 347548277 /nfs/dbraw/zinc/54/82/77/347548277.db2.gz MAYDJAARQCGFCT-SFYZADRCSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(F)F 640222273 347548280 /nfs/dbraw/zinc/54/82/80/347548280.db2.gz MAYDJAARQCGFCT-SFYZADRCSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@H]1C[C@H](CO)CC[N@@H+]1CC(F)F 640222272 347548456 /nfs/dbraw/zinc/54/84/56/347548456.db2.gz MAYDJAARQCGFCT-JGVFFNPUSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@H]1C[C@H](CO)CC[N@H+]1CC(F)F 640222272 347548459 /nfs/dbraw/zinc/54/84/59/347548459.db2.gz MAYDJAARQCGFCT-JGVFFNPUSA-N 1 2 193.237 1.344 20 0 ADADLO CCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C 640724952 347557498 /nfs/dbraw/zinc/55/74/98/347557498.db2.gz WQKVQDKPRLCKLY-VIFPVBQESA-N 1 2 195.266 1.633 20 0 ADADLO CC[C@H](COC)Nc1cc[nH+]cc1F 641387886 347571458 /nfs/dbraw/zinc/57/14/58/347571458.db2.gz WGGOFPDBJCNCKO-MRVPVSSYSA-N 1 2 198.241 1.480 20 0 ADADLO CCOCCCNc1cc[nH+]cc1F 641254341 347569123 /nfs/dbraw/zinc/56/91/23/347569123.db2.gz XCDPMYZTLZAHPJ-UHFFFAOYSA-N 1 2 198.241 1.481 20 0 ADADLO CC[C@@H](C)Nc1cc(CO)cc[nH+]1 641249654 347569140 /nfs/dbraw/zinc/56/91/40/347569140.db2.gz LXKWGCDRASRNFO-MRVPVSSYSA-N 1 2 180.251 1.784 20 0 ADADLO COC[C@H](C)Nc1cc(CO)cc[nH+]1 641254489 347569279 /nfs/dbraw/zinc/56/92/79/347569279.db2.gz YJVGLLNGZDMHMG-QMMMGPOBSA-N 1 2 196.250 1.021 20 0 ADADLO CC[C@H](C)Nc1cc(CO)cc[nH+]1 641249656 347569358 /nfs/dbraw/zinc/56/93/58/347569358.db2.gz LXKWGCDRASRNFO-QMMMGPOBSA-N 1 2 180.251 1.784 20 0 ADADLO OCc1cc[nH+]c(NC2CCCC2)c1 641252500 347569427 /nfs/dbraw/zinc/56/94/27/347569427.db2.gz MFRSZAHEOSCXDW-UHFFFAOYSA-N 1 2 192.262 1.928 20 0 ADADLO COC[C@@H](C)Nc1cc(CO)cc[nH+]1 641254488 347569474 /nfs/dbraw/zinc/56/94/74/347569474.db2.gz YJVGLLNGZDMHMG-MRVPVSSYSA-N 1 2 196.250 1.021 20 0 ADADLO CC1(C)C[C@H]1Nc1cc(CO)cc[nH+]1 641304659 347569630 /nfs/dbraw/zinc/56/96/30/347569630.db2.gz SERJORIAZHLYON-SECBINFHSA-N 1 2 192.262 1.784 20 0 ADADLO OCc1cc[nH+]c(NCC2CCC2)c1 641288277 347569639 /nfs/dbraw/zinc/56/96/39/347569639.db2.gz VJXOZTDINMZCIZ-UHFFFAOYSA-N 1 2 192.262 1.786 20 0 ADADLO OCc1cc[nH+]c(NCC2CC2)c1 641276766 347569648 /nfs/dbraw/zinc/56/96/48/347569648.db2.gz MHGFRKKEFINYPA-UHFFFAOYSA-N 1 2 178.235 1.396 20 0 ADADLO C[C@H]1C[C@@H]1CNc1cc(CO)cc[nH+]1 641292019 347569697 /nfs/dbraw/zinc/56/96/97/347569697.db2.gz HCAXLZXKICVKKB-WCBMZHEXSA-N 1 2 192.262 1.642 20 0 ADADLO COC[C@@H](C)CNc1cc[nH+]cc1F 641312098 347569792 /nfs/dbraw/zinc/56/97/92/347569792.db2.gz VPIRWHWVVYAGNM-QMMMGPOBSA-N 1 2 198.241 1.337 20 0 ADADLO C[C@@H](Nc1cc(CO)cc[nH+]1)C1CC1 641278079 347569816 /nfs/dbraw/zinc/56/98/16/347569816.db2.gz CAADAXJMPBLYCZ-MRVPVSSYSA-N 1 2 192.262 1.784 20 0 ADADLO COC[C@H](C)CNc1cc[nH+]cc1F 641312097 347569908 /nfs/dbraw/zinc/56/99/08/347569908.db2.gz VPIRWHWVVYAGNM-MRVPVSSYSA-N 1 2 198.241 1.337 20 0 ADADLO CC1(C)C[C@@H]1Nc1cc(CO)cc[nH+]1 641304661 347569962 /nfs/dbraw/zinc/56/99/62/347569962.db2.gz SERJORIAZHLYON-VIFPVBQESA-N 1 2 192.262 1.784 20 0 ADADLO C[C@@H]1C[C@@H]1CNc1cc(CO)cc[nH+]1 641292016 347570027 /nfs/dbraw/zinc/57/00/27/347570027.db2.gz HCAXLZXKICVKKB-PSASIEDQSA-N 1 2 192.262 1.642 20 0 ADADLO COCCN(C)c1cc[nH+]cc1F 641305165 347570039 /nfs/dbraw/zinc/57/00/39/347570039.db2.gz OOFWPRLXNDSPBY-UHFFFAOYSA-N 1 2 184.214 1.303 20 0 ADADLO C[C@H]1C[C@H]1CNc1cc(CO)cc[nH+]1 641292020 347570068 /nfs/dbraw/zinc/57/00/68/347570068.db2.gz HCAXLZXKICVKKB-WPRPVWTQSA-N 1 2 192.262 1.642 20 0 ADADLO C[C@@H](O)CN(C)c1cc[nH+]cc1F 641309334 347570141 /nfs/dbraw/zinc/57/01/41/347570141.db2.gz QWQMYRIMPRYIBC-SSDOTTSWSA-N 1 2 184.214 1.038 20 0 ADADLO CCOCCNc1cc(CO)cc[nH+]1 641297179 347570166 /nfs/dbraw/zinc/57/01/66/347570166.db2.gz BYXWDAYVZYTBQB-UHFFFAOYSA-N 1 2 196.250 1.022 20 0 ADADLO COCCCCNc1cc[nH+]cc1F 641294680 347570227 /nfs/dbraw/zinc/57/02/27/347570227.db2.gz DHHKMCXBXPTAQR-UHFFFAOYSA-N 1 2 198.241 1.481 20 0 ADADLO C[C@H](O)CN(C)c1cc[nH+]cc1F 641309337 347570258 /nfs/dbraw/zinc/57/02/58/347570258.db2.gz QWQMYRIMPRYIBC-ZETCQYMHSA-N 1 2 184.214 1.038 20 0 ADADLO C[C@@H]1C[C@H]1CNc1cc(CO)cc[nH+]1 641292017 347570268 /nfs/dbraw/zinc/57/02/68/347570268.db2.gz HCAXLZXKICVKKB-SCZZXKLOSA-N 1 2 192.262 1.642 20 0 ADADLO Fc1c[nH+]ccc1N1CCCOCC1 641318070 347570503 /nfs/dbraw/zinc/57/05/03/347570503.db2.gz FTVOOHCJOHUAGV-UHFFFAOYSA-N 1 2 196.225 1.447 20 0 ADADLO CN(c1cc[nH+]cc1F)[C@@H]1CCOC1 641361763 347570562 /nfs/dbraw/zinc/57/05/62/347570562.db2.gz LCEBAFDRNRXCJF-MRVPVSSYSA-N 1 2 196.225 1.446 20 0 ADADLO CO[C@@H](C)CCNc1cc[nH+]cc1F 641334179 347570803 /nfs/dbraw/zinc/57/08/03/347570803.db2.gz WHLTUTZOPUDHCW-QMMMGPOBSA-N 1 2 198.241 1.480 20 0 ADADLO COCC[C@H](C)Nc1cc[nH+]cc1F 641331309 347570862 /nfs/dbraw/zinc/57/08/62/347570862.db2.gz ZAQCEWYTDCXVIJ-QMMMGPOBSA-N 1 2 198.241 1.480 20 0 ADADLO CC[C@@](C)(O)CNc1cc[nH+]cc1F 641330258 347570928 /nfs/dbraw/zinc/57/09/28/347570928.db2.gz DJRKNJKGIKGABU-SNVBAGLBSA-N 1 2 198.241 1.216 20 0 ADADLO CC[C@](C)(O)CNc1cc[nH+]cc1F 641330257 347570936 /nfs/dbraw/zinc/57/09/36/347570936.db2.gz DJRKNJKGIKGABU-JTQLQIEISA-N 1 2 198.241 1.216 20 0 ADADLO COCC[C@@H](C)Nc1cc[nH+]cc1F 641331308 347570975 /nfs/dbraw/zinc/57/09/75/347570975.db2.gz ZAQCEWYTDCXVIJ-MRVPVSSYSA-N 1 2 198.241 1.480 20 0 ADADLO CO[C@H](C)CCNc1cc[nH+]cc1F 641334178 347571020 /nfs/dbraw/zinc/57/10/20/347571020.db2.gz WHLTUTZOPUDHCW-MRVPVSSYSA-N 1 2 198.241 1.480 20 0 ADADLO CN(c1cc[nH+]cc1F)[C@H]1CCOC1 641361995 347571036 /nfs/dbraw/zinc/57/10/36/347571036.db2.gz LCEBAFDRNRXCJF-QMMMGPOBSA-N 1 2 196.225 1.446 20 0 ADADLO OC[C@@H]1CCN(c2cc[nH+]cc2F)C1 641390680 347571395 /nfs/dbraw/zinc/57/13/95/347571395.db2.gz LRZPYXXFCAGWJY-MRVPVSSYSA-N 1 2 196.225 1.039 20 0 ADADLO C[C@H](CCO)CNc1cc[nH+]cc1F 641406429 347571413 /nfs/dbraw/zinc/57/14/13/347571413.db2.gz RHBAQKSLBVTMPK-MRVPVSSYSA-N 1 2 198.241 1.073 20 0 ADADLO CC[C@@H](CCO)Nc1cc[nH+]cc1F 641389346 347571443 /nfs/dbraw/zinc/57/14/43/347571443.db2.gz MKRFTYZNSZIHIZ-QMMMGPOBSA-N 1 2 198.241 1.216 20 0 ADADLO CC[C@@H](COC)Nc1cc[nH+]cc1F 641387887 347571486 /nfs/dbraw/zinc/57/14/86/347571486.db2.gz WGGOFPDBJCNCKO-QMMMGPOBSA-N 1 2 198.241 1.480 20 0 ADADLO Fc1c[nH+]ccc1NCCC1CC1 641405124 347571541 /nfs/dbraw/zinc/57/15/41/347571541.db2.gz ZUUAQKUKLRAXCE-UHFFFAOYSA-N 1 2 180.226 1.855 20 0 ADADLO COC(C)(C)CNc1cc[nH+]cc1F 641403369 347571587 /nfs/dbraw/zinc/57/15/87/347571587.db2.gz WSEKWFQZAYOMIT-UHFFFAOYSA-N 1 2 198.241 1.480 20 0 ADADLO C[C@@H](CCO)CNc1cc[nH+]cc1F 641406430 347571593 /nfs/dbraw/zinc/57/15/93/347571593.db2.gz RHBAQKSLBVTMPK-QMMMGPOBSA-N 1 2 198.241 1.073 20 0 ADADLO OC[C@H]1CCN(c2cc[nH+]cc2F)C1 641390681 347571624 /nfs/dbraw/zinc/57/16/24/347571624.db2.gz LRZPYXXFCAGWJY-QMMMGPOBSA-N 1 2 196.225 1.039 20 0 ADADLO CC[C@@H](O)CCNc1cc[nH+]cc1F 641438597 347572293 /nfs/dbraw/zinc/57/22/93/347572293.db2.gz DWSJESQNTQGXSH-MRVPVSSYSA-N 1 2 198.241 1.216 20 0 ADADLO CC[C@H](O)CCNc1cc[nH+]cc1F 641438598 347572325 /nfs/dbraw/zinc/57/23/25/347572325.db2.gz DWSJESQNTQGXSH-QMMMGPOBSA-N 1 2 198.241 1.216 20 0 ADADLO CC(C)[C@@H](CO)Nc1cc[nH+]cc1F 641419335 347572329 /nfs/dbraw/zinc/57/23/29/347572329.db2.gz LUKRTKMOTROVQU-SNVBAGLBSA-N 1 2 198.241 1.071 20 0 ADADLO C[C@@]1(O)CCN(c2cc[nH+]cc2F)C1 641416510 347572342 /nfs/dbraw/zinc/57/23/42/347572342.db2.gz IZVWESDCMJICDZ-SNVBAGLBSA-N 1 2 196.225 1.182 20 0 ADADLO C[C@]1(O)CCN(c2cc[nH+]cc2F)C1 641416509 347572355 /nfs/dbraw/zinc/57/23/55/347572355.db2.gz IZVWESDCMJICDZ-JTQLQIEISA-N 1 2 196.225 1.182 20 0 ADADLO OCc1cc[nH+]c(NC2CC=CC2)c1 641437612 347572417 /nfs/dbraw/zinc/57/24/17/347572417.db2.gz JYOWEVDSWASBLU-UHFFFAOYSA-N 1 2 190.246 1.704 20 0 ADADLO C[C@@H](CCCO)Nc1cc[nH+]cc1F 641431216 347572432 /nfs/dbraw/zinc/57/24/32/347572432.db2.gz SJPPMIRKMUVKFR-QMMMGPOBSA-N 1 2 198.241 1.216 20 0 ADADLO C[C@H](CCCO)Nc1cc[nH+]cc1F 641431215 347572468 /nfs/dbraw/zinc/57/24/68/347572468.db2.gz SJPPMIRKMUVKFR-MRVPVSSYSA-N 1 2 198.241 1.216 20 0 ADADLO Cn1c[nH+]c(CSc2ncc[nH]2)c1 641460866 347572826 /nfs/dbraw/zinc/57/28/26/347572826.db2.gz WKGPUISRHMCGJQ-UHFFFAOYSA-N 1 2 194.263 1.436 20 0 ADADLO C[C@H](CO)N(C)c1cc[nH+]cc1F 641459367 347572879 /nfs/dbraw/zinc/57/28/79/347572879.db2.gz CLIUOYZETBGQRM-SSDOTTSWSA-N 1 2 184.214 1.038 20 0 ADADLO CC(C)(CO)CNc1cc[nH+]cc1F 641451042 347573055 /nfs/dbraw/zinc/57/30/55/347573055.db2.gz HUPVQGMMEZXUQG-UHFFFAOYSA-N 1 2 198.241 1.073 20 0 ADADLO COC1(C)CN(c2cc[nH+]cc2F)C1 641470976 347573459 /nfs/dbraw/zinc/57/34/59/347573459.db2.gz SECUVPAONGUMJJ-UHFFFAOYSA-N 1 2 196.225 1.446 20 0 ADADLO C[C@@H](O)C[C@@H](C)Nc1cc[nH+]cc1F 641486986 347573572 /nfs/dbraw/zinc/57/35/72/347573572.db2.gz FSNCNZRWQROOQC-HTQZYQBOSA-N 1 2 198.241 1.214 20 0 ADADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H]1O 641474241 347573599 /nfs/dbraw/zinc/57/35/99/347573599.db2.gz MANIOQKCYRJOTF-XCBNKYQSSA-N 1 2 196.225 1.038 20 0 ADADLO CC(C)OCCNc1cc[nH+]cc1F 641489561 347573626 /nfs/dbraw/zinc/57/36/26/347573626.db2.gz RWUDOPZFUVTJKL-UHFFFAOYSA-N 1 2 198.241 1.480 20 0 ADADLO C[C@H](O)C[C@H](C)Nc1cc[nH+]cc1F 641486989 347573656 /nfs/dbraw/zinc/57/36/56/347573656.db2.gz FSNCNZRWQROOQC-YUMQZZPRSA-N 1 2 198.241 1.214 20 0 ADADLO C[C@H](O)C[C@@H](C)Nc1cc[nH+]cc1F 641486988 347573690 /nfs/dbraw/zinc/57/36/90/347573690.db2.gz FSNCNZRWQROOQC-SFYZADRCSA-N 1 2 198.241 1.214 20 0 ADADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@H]1O 641474240 347573717 /nfs/dbraw/zinc/57/37/17/347573717.db2.gz MANIOQKCYRJOTF-OIBJUYFYSA-N 1 2 196.225 1.038 20 0 ADADLO CC(C)(O)CCNc1cc[nH+]cc1F 641500208 347573821 /nfs/dbraw/zinc/57/38/21/347573821.db2.gz OLOZWYCUKQWEHS-UHFFFAOYSA-N 1 2 198.241 1.216 20 0 ADADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H]1O 641474239 347573866 /nfs/dbraw/zinc/57/38/66/347573866.db2.gz MANIOQKCYRJOTF-GMSGAONNSA-N 1 2 196.225 1.038 20 0 ADADLO C[C@@H](C[C@@H](C)O)Nc1cc[nH+]cc1F 641486987 347573880 /nfs/dbraw/zinc/57/38/80/347573880.db2.gz FSNCNZRWQROOQC-JGVFFNPUSA-N 1 2 198.241 1.214 20 0 ADADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@@H]1O 641474242 347573888 /nfs/dbraw/zinc/57/38/88/347573888.db2.gz MANIOQKCYRJOTF-XVKPBYJWSA-N 1 2 196.225 1.038 20 0 ADADLO Cn1c[nH+]c(CSc2ncco2)c1 641478674 347573935 /nfs/dbraw/zinc/57/39/35/347573935.db2.gz JTJBKZZUONUHJB-UHFFFAOYSA-N 1 2 195.247 1.700 20 0 ADADLO CN(c1cc[nH+]cc1F)C1CC(O)C1 641511817 347574413 /nfs/dbraw/zinc/57/44/13/347574413.db2.gz HYWUOYYJVIHOSI-UHFFFAOYSA-N 1 2 196.225 1.180 20 0 ADADLO C[C@H]1C[C@H](O)CN1c1cc[nH+]cc1F 641527825 347574887 /nfs/dbraw/zinc/57/48/87/347574887.db2.gz UYOCTPGDPGAJKE-YUMQZZPRSA-N 1 2 196.225 1.180 20 0 ADADLO C[C@@H]1C[C@H](O)CN1c1cc[nH+]cc1F 641527824 347574937 /nfs/dbraw/zinc/57/49/37/347574937.db2.gz UYOCTPGDPGAJKE-SFYZADRCSA-N 1 2 196.225 1.180 20 0 ADADLO CO[C@H](C)CNc1cc[nH+]cc1F 641524656 347574943 /nfs/dbraw/zinc/57/49/43/347574943.db2.gz OELPXTIYFTWAFS-SSDOTTSWSA-N 1 2 184.214 1.089 20 0 ADADLO C[C@@H]1C[C@@H](O)CN1c1cc[nH+]cc1F 641527822 347574972 /nfs/dbraw/zinc/57/49/72/347574972.db2.gz UYOCTPGDPGAJKE-HTQZYQBOSA-N 1 2 196.225 1.180 20 0 ADADLO CO[C@@H](C)CNc1cc[nH+]cc1F 641524657 347575016 /nfs/dbraw/zinc/57/50/16/347575016.db2.gz OELPXTIYFTWAFS-ZETCQYMHSA-N 1 2 184.214 1.089 20 0 ADADLO C[C@H]1C[C@@H](O)CN1c1cc[nH+]cc1F 641527823 347575057 /nfs/dbraw/zinc/57/50/57/347575057.db2.gz UYOCTPGDPGAJKE-JGVFFNPUSA-N 1 2 196.225 1.180 20 0 ADADLO OCCCCCNc1cc[nH+]cc1F 641543857 347575506 /nfs/dbraw/zinc/57/55/06/347575506.db2.gz KPJKIYIXKVBRCV-UHFFFAOYSA-N 1 2 198.241 1.217 20 0 ADADLO C[C@H](O)CCCNc1cc[nH+]cc1F 641542464 347575522 /nfs/dbraw/zinc/57/55/22/347575522.db2.gz DLTHVEIBYUIZLX-QMMMGPOBSA-N 1 2 198.241 1.216 20 0 ADADLO C[C@@H]1COCCN1c1cc[nH+]cc1F 641540296 347575696 /nfs/dbraw/zinc/57/56/96/347575696.db2.gz ZSXJBQWHZSKXLZ-MRVPVSSYSA-N 1 2 196.225 1.446 20 0 ADADLO CO[C@@H](C)[C@H](C)Nc1cc[nH+]cc1F 641543159 347575857 /nfs/dbraw/zinc/57/58/57/347575857.db2.gz RDRGDCPDOHRUDR-YUMQZZPRSA-N 1 2 198.241 1.478 20 0 ADADLO C[C@@H](O)CCCNc1cc[nH+]cc1F 641542463 347575872 /nfs/dbraw/zinc/57/58/72/347575872.db2.gz DLTHVEIBYUIZLX-MRVPVSSYSA-N 1 2 198.241 1.216 20 0 ADADLO CO[C@H](C)[C@H](C)Nc1cc[nH+]cc1F 641543158 347575924 /nfs/dbraw/zinc/57/59/24/347575924.db2.gz RDRGDCPDOHRUDR-JGVFFNPUSA-N 1 2 198.241 1.478 20 0 ADADLO CC[C@H](CO)N(C)c1cc[nH+]cc1F 641614746 347577495 /nfs/dbraw/zinc/57/74/95/347577495.db2.gz WSHHXHWIESJGEK-MRVPVSSYSA-N 1 2 198.241 1.428 20 0 ADADLO CC[C@H](CNc1cc[nH+]cc1F)OC 641604515 347577469 /nfs/dbraw/zinc/57/74/69/347577469.db2.gz REIXCEZDJRIQRW-MRVPVSSYSA-N 1 2 198.241 1.480 20 0 ADADLO CO[C@H](C)CN(C)c1cc[nH+]cc1F 641596287 347577503 /nfs/dbraw/zinc/57/75/03/347577503.db2.gz UPGRPSAGHAIRFB-MRVPVSSYSA-N 1 2 198.241 1.692 20 0 ADADLO C[C@H]1CN(c2cc[nH+]cc2F)CCO1 641616990 347577537 /nfs/dbraw/zinc/57/75/37/347577537.db2.gz YWRVGFIAVFJYHY-QMMMGPOBSA-N 1 2 196.225 1.446 20 0 ADADLO CC[C@@H](CNc1cc[nH+]cc1F)OC 641604516 347577575 /nfs/dbraw/zinc/57/75/75/347577575.db2.gz REIXCEZDJRIQRW-QMMMGPOBSA-N 1 2 198.241 1.480 20 0 ADADLO C[C@@H]1CN(c2cc[nH+]cc2F)CCO1 641616989 347577579 /nfs/dbraw/zinc/57/75/79/347577579.db2.gz YWRVGFIAVFJYHY-MRVPVSSYSA-N 1 2 196.225 1.446 20 0 ADADLO Fc1c[nH+]ccc1N1CC[C@@H](F)C1 641618462 347577616 /nfs/dbraw/zinc/57/76/16/347577616.db2.gz ULNDDOGDTSGTQY-SSDOTTSWSA-N 1 2 184.189 1.769 20 0 ADADLO CO[C@@H](C)CN(C)c1cc[nH+]cc1F 641596288 347577695 /nfs/dbraw/zinc/57/76/95/347577695.db2.gz UPGRPSAGHAIRFB-QMMMGPOBSA-N 1 2 198.241 1.692 20 0 ADADLO C[C@H]1COCCN1c1cc[nH+]cc1F 641614818 347577703 /nfs/dbraw/zinc/57/77/03/347577703.db2.gz ZSXJBQWHZSKXLZ-QMMMGPOBSA-N 1 2 196.225 1.446 20 0 ADADLO Fc1c[nH+]ccc1N1CCO[C@@H]2C[C@@H]21 641606826 347577730 /nfs/dbraw/zinc/57/77/30/347577730.db2.gz RBUIQKGMDINBJF-VHSXEESVSA-N 1 2 194.209 1.198 20 0 ADADLO Fc1c[nH+]ccc1N1CCO[C@H]2C[C@H]21 641606828 347577736 /nfs/dbraw/zinc/57/77/36/347577736.db2.gz RBUIQKGMDINBJF-ZJUUUORDSA-N 1 2 194.209 1.198 20 0 ADADLO CO[C@H](C)[C@@H](C)Nc1cc[nH+]cc1F 641602578 347577749 /nfs/dbraw/zinc/57/77/49/347577749.db2.gz RDRGDCPDOHRUDR-HTQZYQBOSA-N 1 2 198.241 1.478 20 0 ADADLO Fc1c[nH+]ccc1N1CC[C@H](F)C1 641618463 347578108 /nfs/dbraw/zinc/57/81/08/347578108.db2.gz ULNDDOGDTSGTQY-ZETCQYMHSA-N 1 2 184.189 1.769 20 0 ADADLO C[C@@H](CCO)N(C)c1cc[nH+]cc1F 641652986 347578175 /nfs/dbraw/zinc/57/81/75/347578175.db2.gz POZFZVAAWLTBPG-QMMMGPOBSA-N 1 2 198.241 1.428 20 0 ADADLO CC[C@@H](Nc1cc[nH+]cc1F)[C@@H](C)O 641622220 347578179 /nfs/dbraw/zinc/57/81/79/347578179.db2.gz ZGQFJQVXGFOWPE-VXNVDRBHSA-N 1 2 198.241 1.214 20 0 ADADLO C[C@H](CCO)N(C)c1cc[nH+]cc1F 641652984 347578186 /nfs/dbraw/zinc/57/81/86/347578186.db2.gz POZFZVAAWLTBPG-MRVPVSSYSA-N 1 2 198.241 1.428 20 0 ADADLO C[C@H]1C[C@@H](Nc2cc[nH+]cc2F)CO1 641648575 347578195 /nfs/dbraw/zinc/57/81/95/347578195.db2.gz MNGPWONYENYWOM-JGVFFNPUSA-N 1 2 196.225 1.232 20 0 ADADLO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2F)CO1 641648574 347578231 /nfs/dbraw/zinc/57/82/31/347578231.db2.gz MNGPWONYENYWOM-HTQZYQBOSA-N 1 2 196.225 1.232 20 0 ADADLO CC[C@@H](Nc1cc[nH+]cc1F)[C@H](C)O 641622219 347578238 /nfs/dbraw/zinc/57/82/38/347578238.db2.gz ZGQFJQVXGFOWPE-IONNQARKSA-N 1 2 198.241 1.214 20 0 ADADLO C[C@@H]1C[C@H](Nc2cc[nH+]cc2F)CO1 641648576 347578255 /nfs/dbraw/zinc/57/82/55/347578255.db2.gz MNGPWONYENYWOM-SFYZADRCSA-N 1 2 196.225 1.232 20 0 ADADLO CC[C@H](Nc1cc[nH+]cc1F)[C@H](C)O 641622218 347578295 /nfs/dbraw/zinc/57/82/95/347578295.db2.gz ZGQFJQVXGFOWPE-CBAPKCEASA-N 1 2 198.241 1.214 20 0 ADADLO CC[C@H](Nc1cc[nH+]cc1F)[C@@H](C)O 641622217 347578338 /nfs/dbraw/zinc/57/83/38/347578338.db2.gz ZGQFJQVXGFOWPE-APPZFPTMSA-N 1 2 198.241 1.214 20 0 ADADLO C[C@H]1C[C@H](Nc2cc[nH+]cc2F)CO1 641648577 347578410 /nfs/dbraw/zinc/57/84/10/347578410.db2.gz MNGPWONYENYWOM-YUMQZZPRSA-N 1 2 196.225 1.232 20 0 ADADLO C[C@@H]1[C@H](O)CCN1c1cc[nH+]cc1F 641629858 347578417 /nfs/dbraw/zinc/57/84/17/347578417.db2.gz PZWYRGZWYSYBIS-GMSGAONNSA-N 1 2 196.225 1.180 20 0 ADADLO CO[C@@]1(C)C[C@H]1Nc1cc[nH+]cc1F 641668223 347578818 /nfs/dbraw/zinc/57/88/18/347578818.db2.gz DBCUNBJALMKIDP-ZJUUUORDSA-N 1 2 196.225 1.232 20 0 ADADLO CO[C@H]1C[C@H](Nc2cc[nH+]cc2F)C1 641679158 347579343 /nfs/dbraw/zinc/57/93/43/347579343.db2.gz HVNXFBDKXJWDLI-ZKCHVHJHSA-N 1 2 196.225 1.232 20 0 ADADLO C[C@H](O)CCOc1cc[nH+]cc1 642268420 347592051 /nfs/dbraw/zinc/59/20/51/347592051.db2.gz RCZCHBLSOSSCAB-QMMMGPOBSA-N 1 2 167.208 1.231 20 0 ADADLO C[C@H](O)CCCOc1cc[nH+]cc1 642268395 347592116 /nfs/dbraw/zinc/59/21/16/347592116.db2.gz JMBGCRMRHROWIL-VIFPVBQESA-N 1 2 181.235 1.621 20 0 ADADLO C[C@@H](O)CCCOc1cc[nH+]cc1 642268394 347592194 /nfs/dbraw/zinc/59/21/94/347592194.db2.gz JMBGCRMRHROWIL-SECBINFHSA-N 1 2 181.235 1.621 20 0 ADADLO C[C@@H](O)CCOc1cc[nH+]cc1 642268418 347592232 /nfs/dbraw/zinc/59/22/32/347592232.db2.gz RCZCHBLSOSSCAB-MRVPVSSYSA-N 1 2 167.208 1.231 20 0 ADADLO COC1(COCc2[nH]cc[nH+]2)CCC1 642328836 347593147 /nfs/dbraw/zinc/59/31/47/347593147.db2.gz SWHLAAQROVWCBT-UHFFFAOYSA-N 1 2 196.250 1.495 20 0 ADADLO Cc1cc(Nc2cn[nH]c2)nc(C)[nH+]1 642325886 347593217 /nfs/dbraw/zinc/59/32/17/347593217.db2.gz HUJKYOJLUBURBZ-UHFFFAOYSA-N 1 2 189.222 1.560 20 0 ADADLO COCC[N@H+](C)Cc1cc(C)on1 642329325 347593487 /nfs/dbraw/zinc/59/34/87/347593487.db2.gz JPLQXDCJRLZNTM-UHFFFAOYSA-N 1 2 184.239 1.061 20 0 ADADLO COCC[N@@H+](C)Cc1cc(C)on1 642329325 347593489 /nfs/dbraw/zinc/59/34/89/347593489.db2.gz JPLQXDCJRLZNTM-UHFFFAOYSA-N 1 2 184.239 1.061 20 0 ADADLO CCc1nnc(C[N@@H+](CC)C2CC2)o1 642525924 347595349 /nfs/dbraw/zinc/59/53/49/347595349.db2.gz ZPRNNWCAWNVVNN-UHFFFAOYSA-N 1 2 195.266 1.616 20 0 ADADLO CCc1nnc(C[N@H+](CC)C2CC2)o1 642525924 347595353 /nfs/dbraw/zinc/59/53/53/347595353.db2.gz ZPRNNWCAWNVVNN-UHFFFAOYSA-N 1 2 195.266 1.616 20 0 ADADLO C1CC(COCC[NH+]2CCOCC2)C1 642649535 347598150 /nfs/dbraw/zinc/59/81/50/347598150.db2.gz UWRCIGCNXCIPIW-UHFFFAOYSA-N 1 2 199.294 1.135 20 0 ADADLO CCc1nnc(C[N@H+](C)C2CC2)o1 642635874 347598341 /nfs/dbraw/zinc/59/83/41/347598341.db2.gz HOSRZPLMOLNJFA-UHFFFAOYSA-N 1 2 181.239 1.226 20 0 ADADLO CCc1nnc(C[N@@H+](C)C2CC2)o1 642635874 347598345 /nfs/dbraw/zinc/59/83/45/347598345.db2.gz HOSRZPLMOLNJFA-UHFFFAOYSA-N 1 2 181.239 1.226 20 0 ADADLO CC[C@H](C[N@H+](C)Cc1ccon1)OC 642687558 347599962 /nfs/dbraw/zinc/59/99/62/347599962.db2.gz ZLHBHANILYTECQ-SNVBAGLBSA-N 1 2 198.266 1.531 20 0 ADADLO CC[C@H](C[N@@H+](C)Cc1ccon1)OC 642687558 347599965 /nfs/dbraw/zinc/59/99/65/347599965.db2.gz ZLHBHANILYTECQ-SNVBAGLBSA-N 1 2 198.266 1.531 20 0 ADADLO CC[C@@H](C[N@H+](C)CC(F)F)OC 642685059 347600019 /nfs/dbraw/zinc/60/00/19/347600019.db2.gz RGZKJBNRAHECIA-ZETCQYMHSA-N 1 2 181.226 1.608 20 0 ADADLO CC[C@@H](C[N@@H+](C)CC(F)F)OC 642685059 347600022 /nfs/dbraw/zinc/60/00/22/347600022.db2.gz RGZKJBNRAHECIA-ZETCQYMHSA-N 1 2 181.226 1.608 20 0 ADADLO CC[C@@H](C[N@H+](C)Cc1ccon1)OC 642687557 347600141 /nfs/dbraw/zinc/60/01/41/347600141.db2.gz ZLHBHANILYTECQ-JTQLQIEISA-N 1 2 198.266 1.531 20 0 ADADLO CC[C@@H](C[N@@H+](C)Cc1ccon1)OC 642687557 347600144 /nfs/dbraw/zinc/60/01/44/347600144.db2.gz ZLHBHANILYTECQ-JTQLQIEISA-N 1 2 198.266 1.531 20 0 ADADLO CC[C@H](C[N@H+](C)CC(F)F)OC 642685058 347600302 /nfs/dbraw/zinc/60/03/02/347600302.db2.gz RGZKJBNRAHECIA-SSDOTTSWSA-N 1 2 181.226 1.608 20 0 ADADLO CC[C@H](C[N@@H+](C)CC(F)F)OC 642685058 347600304 /nfs/dbraw/zinc/60/03/04/347600304.db2.gz RGZKJBNRAHECIA-SSDOTTSWSA-N 1 2 181.226 1.608 20 0 ADADLO CC[C@@H](C[N@@H+]1CCC(F)(F)C1)OC 642700274 347601881 /nfs/dbraw/zinc/60/18/81/347601881.db2.gz XKQRAPVBZKNDAH-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CC[C@H](C[N@@H+]1CCC(F)(F)C1)OC 642700273 347602116 /nfs/dbraw/zinc/60/21/16/347602116.db2.gz XKQRAPVBZKNDAH-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CC[C@H](C[N@H+]1CCC(F)(F)C1)OC 642700273 347602120 /nfs/dbraw/zinc/60/21/20/347602120.db2.gz XKQRAPVBZKNDAH-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CCOc1ccc2c(c1)[nH+]cn2C 233328 351274590 /nfs/dbraw/zinc/27/45/90/351274590.db2.gz HYPDKIZNUQHHFN-UHFFFAOYSA-N 1 2 176.219 1.972 20 0 ADADLO CCSc1nc(N)cc(C)[nH+]1 1603673 351289998 /nfs/dbraw/zinc/28/99/98/351289998.db2.gz CORPVZUJJFZQFQ-UHFFFAOYSA-N 1 2 169.253 1.479 20 0 ADADLO CCCC(=O)NCCCn1cc[nH+]c1 5385453 351343643 /nfs/dbraw/zinc/34/36/43/351343643.db2.gz VTVUPVUKRODLGO-UHFFFAOYSA-N 1 2 195.266 1.190 20 0 ADADLO CC(C)CC(=O)NC1=[NH+]CCS1 5384132 351343828 /nfs/dbraw/zinc/34/38/28/351343828.db2.gz RLUSPDXODQOPCL-UHFFFAOYSA-N 1 2 186.280 1.252 20 0 ADADLO c1ccc(NCC2CC2)[nH+]c1 8699339 351357189 /nfs/dbraw/zinc/35/71/89/351357189.db2.gz REDQYNYHMYJKGT-UHFFFAOYSA-N 1 2 148.209 1.904 20 0 ADADLO c1cn(CC2CC2)c[nH+]1 13580716 351371425 /nfs/dbraw/zinc/37/14/25/351371425.db2.gz BSRRKSSFRABLLB-UHFFFAOYSA-N 1 2 122.171 1.293 20 0 ADADLO O=Cc1cccc(-c2[nH]cc[nH+]2)c1 20439668 351404956 /nfs/dbraw/zinc/40/49/56/351404956.db2.gz ZRJPAQUHEOTJAP-UHFFFAOYSA-N 1 2 172.187 1.889 20 0 ADADLO c1ccc(NC[C@H]2CCCO2)[nH+]c1 20563683 351405929 /nfs/dbraw/zinc/40/59/29/351405929.db2.gz KGACZRNBOCTIRA-SECBINFHSA-N 1 2 178.235 1.673 20 0 ADADLO c1ccc(NC[C@@H]2CCCO2)[nH+]c1 20563685 351406461 /nfs/dbraw/zinc/40/64/61/351406461.db2.gz KGACZRNBOCTIRA-VIFPVBQESA-N 1 2 178.235 1.673 20 0 ADADLO c1coc(C[NH2+]Cc2ncc[nH]2)c1 22863169 351414856 /nfs/dbraw/zinc/41/48/56/351414856.db2.gz AUNCXVXSZYGSAZ-UHFFFAOYSA-N 1 2 177.207 1.293 20 0 ADADLO c1coc(CNCc2[nH]cc[nH+]2)c1 22863169 351414857 /nfs/dbraw/zinc/41/48/57/351414857.db2.gz AUNCXVXSZYGSAZ-UHFFFAOYSA-N 1 2 177.207 1.293 20 0 ADADLO CC(C)CCn1cc[nH+]c1 26473875 351419536 /nfs/dbraw/zinc/41/95/36/351419536.db2.gz CECNZZAKLLEZQO-UHFFFAOYSA-N 1 2 138.214 1.929 20 0 ADADLO c1ccc(OCCn2cc[nH+]c2)cc1 26473891 351419730 /nfs/dbraw/zinc/41/97/30/351419730.db2.gz INUSBZKZIYQSRM-UHFFFAOYSA-N 1 2 188.230 1.962 20 0 in-vivo ADADLO c1cc2c(c[nH+]1)CCC2 31297639 351422982 /nfs/dbraw/zinc/42/29/82/351422982.db2.gz RGBSGRUHELUMOF-UHFFFAOYSA-N 1 2 119.167 1.570 20 0 ADADLO O[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 32144927 351426550 /nfs/dbraw/zinc/42/65/50/351426550.db2.gz HXOKCZQWCHGWFP-NXEZZACHSA-N 1 2 192.262 1.797 20 0 ADADLO O[C@H]1CCCC[C@@H]1Nc1cccc[nH+]1 32144924 351426682 /nfs/dbraw/zinc/42/66/82/351426682.db2.gz HXOKCZQWCHGWFP-UWVGGRQHSA-N 1 2 192.262 1.797 20 0 ADADLO c1cc(Cn2cc[nH+]c2)ccn1 34293409 351437729 /nfs/dbraw/zinc/43/77/29/351437729.db2.gz SQVMDVNVWYRZFV-UHFFFAOYSA-N 1 2 159.192 1.326 20 0 ADADLO c1cn(CCCn2cc[nH+]c2)cn1 34438022 351439552 /nfs/dbraw/zinc/43/95/52/351439552.db2.gz ISXPITWIJWSEKJ-UHFFFAOYSA-N 1 2 176.223 1.170 20 0 ADADLO Nc1c[nH+]c2c(F)cccc2c1N 34449337 351440921 /nfs/dbraw/zinc/44/09/21/351440921.db2.gz QYGAIVMBOGKQDI-UHFFFAOYSA-N 1 2 177.182 1.538 20 0 ADADLO c1csc(-n2cc[nH+]c2)n1 35331585 351451321 /nfs/dbraw/zinc/45/13/21/351451321.db2.gz YIUWBOMTSWJYQS-UHFFFAOYSA-N 1 2 151.194 1.329 20 0 ADADLO c1csc(C[NH2+]Cc2ccn[nH]2)c1 36900196 351459882 /nfs/dbraw/zinc/45/98/82/351459882.db2.gz QNZMBJZBAZQAFX-UHFFFAOYSA-N 1 2 193.275 1.761 20 0 ADADLO c1coc(C[NH2+]Cc2cc[nH]n2)c1 36899932 351460385 /nfs/dbraw/zinc/46/03/85/351460385.db2.gz MAWIXDCKHOSPIT-UHFFFAOYSA-N 1 2 177.207 1.293 20 0 ADADLO O=Cc1cc(F)ccc1-n1cc[nH+]c1 37233943 351464616 /nfs/dbraw/zinc/46/46/16/351464616.db2.gz PBFMONLUIUVTLL-UHFFFAOYSA-N 1 2 190.177 1.824 20 0 ADADLO CC[C@@H](C)Oc1cc[nH+]cc1N 37715592 351473128 /nfs/dbraw/zinc/47/31/28/351473128.db2.gz DVWAZPQVWJQCFA-SSDOTTSWSA-N 1 2 166.224 1.841 20 0 ADADLO C[C@@H]1CCC[C@@H]([NH2+]Cc2ncn[nH]2)C1 37919142 351476672 /nfs/dbraw/zinc/47/66/72/351476672.db2.gz QMIPQIYGPGZARO-RKDXNWHRSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1CCC[C@H]([NH2+]Cc2ncn[nH]2)C1 37919140 351476686 /nfs/dbraw/zinc/47/66/86/351476686.db2.gz QMIPQIYGPGZARO-BDAKNGLRSA-N 1 2 194.282 1.473 20 0 ADADLO c1ccc(NC[C@@H]2CCOC2)[nH+]c1 37998928 351476930 /nfs/dbraw/zinc/47/69/30/351476930.db2.gz OILXFZQHHHJPEO-VIFPVBQESA-N 1 2 178.235 1.530 20 0 ADADLO c1ccc(C[NH2+]Cc2nnc[nH]2)cc1 37919435 351476999 /nfs/dbraw/zinc/47/69/99/351476999.db2.gz RJAPGCQNCZUTCI-UHFFFAOYSA-N 1 2 188.234 1.095 20 0 ADADLO c1ccc(NC[C@H]2CCOC2)[nH+]c1 37998929 351477386 /nfs/dbraw/zinc/47/73/86/351477386.db2.gz OILXFZQHHHJPEO-SECBINFHSA-N 1 2 178.235 1.530 20 0 ADADLO c1ccc(NC[C@@H]2CCCOC2)[nH+]c1 38046434 351478475 /nfs/dbraw/zinc/47/84/75/351478475.db2.gz KCVLPXPHUROFIR-JTQLQIEISA-N 1 2 192.262 1.920 20 0 ADADLO CC(C)C(=O)Nc1cc[nH+]cc1O 39139482 351496719 /nfs/dbraw/zinc/49/67/19/351496719.db2.gz JGURKVVJMMMEOY-UHFFFAOYSA-N 1 2 180.207 1.382 20 0 ADADLO CC[C@@H](C)Nc1cc(C)[nH+]cn1 40726976 351510185 /nfs/dbraw/zinc/51/01/85/351510185.db2.gz GJALCWIILSGBOR-SSDOTTSWSA-N 1 2 165.240 1.995 20 0 ADADLO CC(C)C[C@@H](CO)Nc1cccc[nH+]1 40779420 351511820 /nfs/dbraw/zinc/51/18/20/351511820.db2.gz ARNCDIHFRDLUTB-JTQLQIEISA-N 1 2 194.278 1.901 20 0 ADADLO CC(C)C[C@H](CO)Nc1cccc[nH+]1 40779423 351512177 /nfs/dbraw/zinc/51/21/77/351512177.db2.gz ARNCDIHFRDLUTB-SNVBAGLBSA-N 1 2 194.278 1.901 20 0 ADADLO c1cc(C[NH2+][C@H]2CCSC2)[nH]n1 41013913 351513072 /nfs/dbraw/zinc/51/30/72/351513072.db2.gz LFEZYXJWRCUOIS-QMMMGPOBSA-N 1 2 183.280 1.005 20 0 ADADLO c1cc(C[NH2+][C@@H]2CCSC2)[nH]n1 41013910 351513559 /nfs/dbraw/zinc/51/35/59/351513559.db2.gz LFEZYXJWRCUOIS-MRVPVSSYSA-N 1 2 183.280 1.005 20 0 ADADLO c1ccc(NCCn2cc[nH+]c2)nc1 41063102 351515561 /nfs/dbraw/zinc/51/55/61/351515561.db2.gz LXQLWDGEUCTZLU-UHFFFAOYSA-N 1 2 188.234 1.390 20 0 ADADLO CC(C)CNc1[nH+]cccc1CO 41201438 351517718 /nfs/dbraw/zinc/51/77/18/351517718.db2.gz VWACLNVQYLCVDW-UHFFFAOYSA-N 1 2 180.251 1.642 20 0 ADADLO c1ccc(NCCn2cccn2)[nH+]c1 42541741 351522231 /nfs/dbraw/zinc/52/22/31/351522231.db2.gz OMLKHSZHUGCVNG-UHFFFAOYSA-N 1 2 188.234 1.390 20 0 ADADLO c1cc(C[NH2+]C[C@H]2CCCCO2)[nH]n1 42815520 351526284 /nfs/dbraw/zinc/52/62/84/351526284.db2.gz YEEJHTFSZMHENB-SNVBAGLBSA-N 1 2 195.266 1.068 20 0 ADADLO c1cc(C[NH2+]C[C@@H]2CCCCO2)[nH]n1 42815515 351526640 /nfs/dbraw/zinc/52/66/40/351526640.db2.gz YEEJHTFSZMHENB-JTQLQIEISA-N 1 2 195.266 1.068 20 0 ADADLO OC1CC[NH+](Cc2cscn2)CC1 48695212 351546983 /nfs/dbraw/zinc/54/69/83/351546983.db2.gz XEFDWZJKFDJRBV-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO OCC[C@@H]1CCCC[N@@H+]1CC(F)F 50104928 351551389 /nfs/dbraw/zinc/55/13/89/351551389.db2.gz LURHCGVJIWRJSA-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO OCC[C@@H]1CCCC[N@H+]1CC(F)F 50104928 351551393 /nfs/dbraw/zinc/55/13/93/351551393.db2.gz LURHCGVJIWRJSA-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO OC[C@H]1CCCC[N@@H+]1CC(F)F 50104219 351551760 /nfs/dbraw/zinc/55/17/60/351551760.db2.gz RAVAFHSNAUSWLE-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO OC[C@H]1CCCC[N@H+]1CC(F)F 50104219 351551763 /nfs/dbraw/zinc/55/17/63/351551763.db2.gz RAVAFHSNAUSWLE-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO OCC[C@H]1CCCC[N@@H+]1CC(F)F 50104929 351552006 /nfs/dbraw/zinc/55/20/06/351552006.db2.gz LURHCGVJIWRJSA-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO OCC[C@H]1CCCC[N@H+]1CC(F)F 50104929 351552007 /nfs/dbraw/zinc/55/20/07/351552007.db2.gz LURHCGVJIWRJSA-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO OC[C@@H]1CCCC[N@@H+]1CC(F)F 50104218 351552181 /nfs/dbraw/zinc/55/21/81/351552181.db2.gz RAVAFHSNAUSWLE-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO OC[C@@H]1CCCC[N@H+]1CC(F)F 50104218 351552183 /nfs/dbraw/zinc/55/21/83/351552183.db2.gz RAVAFHSNAUSWLE-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO c1ccc2c(C[NH2+]C3CC3)n[nH]c2c1 51666665 351558430 /nfs/dbraw/zinc/55/84/30/351558430.db2.gz GYJPKUMDCAOBEU-UHFFFAOYSA-N 1 2 187.246 1.815 20 0 ADADLO OCC[C@H]1CCC[N@H+](CC(F)F)C1 51895900 351561326 /nfs/dbraw/zinc/56/13/26/351561326.db2.gz YOUNAAJXHOMUTM-MRVPVSSYSA-N 1 2 193.237 1.346 20 0 ADADLO OCC[C@@H]1CCC[N@H+](CC(F)F)C1 51895902 351561181 /nfs/dbraw/zinc/56/11/81/351561181.db2.gz YOUNAAJXHOMUTM-QMMMGPOBSA-N 1 2 193.237 1.346 20 0 ADADLO OCC[C@@H]1CCC[N@@H+](CC(F)F)C1 51895902 351561187 /nfs/dbraw/zinc/56/11/87/351561187.db2.gz YOUNAAJXHOMUTM-QMMMGPOBSA-N 1 2 193.237 1.346 20 0 ADADLO OCC[C@H]1CCC[N@@H+](CC(F)F)C1 51895900 351561332 /nfs/dbraw/zinc/56/13/32/351561332.db2.gz YOUNAAJXHOMUTM-MRVPVSSYSA-N 1 2 193.237 1.346 20 0 ADADLO CC[C@@H](C)Nc1cc[nH+]c(C)n1 54935622 351576584 /nfs/dbraw/zinc/57/65/84/351576584.db2.gz VMPOCZFCFGMHSM-SSDOTTSWSA-N 1 2 165.240 1.995 20 0 ADADLO c1cc(C[NH2+][C@H]2CCCSC2)[nH]n1 61589047 351582303 /nfs/dbraw/zinc/58/23/03/351582303.db2.gz XPDKYJNNWJNNLO-VIFPVBQESA-N 1 2 197.307 1.395 20 0 ADADLO c1cc(C[NH2+][C@@H]2CCCSC2)[nH]n1 61589046 351582367 /nfs/dbraw/zinc/58/23/67/351582367.db2.gz XPDKYJNNWJNNLO-SECBINFHSA-N 1 2 197.307 1.395 20 0 ADADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(N)[nH+]c1 61680500 351583291 /nfs/dbraw/zinc/58/32/91/351583291.db2.gz XPKLBGBSVAHCFI-HTRCEHHLSA-N 1 2 191.234 1.258 20 0 ADADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 61680498 351583391 /nfs/dbraw/zinc/58/33/91/351583391.db2.gz XPKLBGBSVAHCFI-SVRRBLITSA-N 1 2 191.234 1.258 20 0 ADADLO CC[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 61680520 351583921 /nfs/dbraw/zinc/58/39/21/351583921.db2.gz YEPCQWWCXHLPBN-SSDOTTSWSA-N 1 2 193.250 1.648 20 0 ADADLO CC(C)CC(=O)Nc1ccc(N)[nH+]c1 61680480 351583941 /nfs/dbraw/zinc/58/39/41/351583941.db2.gz ZLXKHICNHFEHFR-UHFFFAOYSA-N 1 2 193.250 1.648 20 0 ADADLO CC(C)C(=O)Nc1ccc(N)[nH+]c1 61680391 351583979 /nfs/dbraw/zinc/58/39/79/351583979.db2.gz XECSUCXIXNQSAZ-UHFFFAOYSA-N 1 2 179.223 1.258 20 0 ADADLO c1cn2c[nH+]cc2s1 66054993 351592876 /nfs/dbraw/zinc/59/28/76/351592876.db2.gz IIUBFCZXGSJIJX-UHFFFAOYSA-N 1 2 124.168 1.396 20 0 ADADLO COc1cccc(Cn2cc[nH+]c2)n1 69637822 351598896 /nfs/dbraw/zinc/59/88/96/351598896.db2.gz XIXMJXHBYGCVQT-UHFFFAOYSA-N 1 2 189.218 1.335 20 0 ADADLO c1cn(C[C@@H]2CCCO2)c[nH+]1 70162518 351601819 /nfs/dbraw/zinc/60/18/19/351601819.db2.gz XZHNRZDLODMDIQ-QMMMGPOBSA-N 1 2 152.197 1.062 20 0 ADADLO c1cn(C[C@H]2CCCO2)c[nH+]1 70162519 351602026 /nfs/dbraw/zinc/60/20/26/351602026.db2.gz XZHNRZDLODMDIQ-MRVPVSSYSA-N 1 2 152.197 1.062 20 0 ADADLO c1ccc(NCC2CCOCC2)[nH+]c1 70159908 351602036 /nfs/dbraw/zinc/60/20/36/351602036.db2.gz ALAFSQWJUZZILI-UHFFFAOYSA-N 1 2 192.262 1.920 20 0 ADADLO O[C@H](CNc1cccc[nH+]1)C1CC1 70886411 351607926 /nfs/dbraw/zinc/60/79/26/351607926.db2.gz RAEQXDKWNZLMHN-SECBINFHSA-N 1 2 178.235 1.264 20 0 ADADLO c1ccc(N[C@H]2CCCOC2)[nH+]c1 71014231 351609336 /nfs/dbraw/zinc/60/93/36/351609336.db2.gz GBZHEZYHODORSW-VIFPVBQESA-N 1 2 178.235 1.673 20 0 ADADLO c1ccc(N[C@@H]2CCCOC2)[nH+]c1 71014229 351609759 /nfs/dbraw/zinc/60/97/59/351609759.db2.gz GBZHEZYHODORSW-SECBINFHSA-N 1 2 178.235 1.673 20 0 ADADLO c1ccc(N[C@H]2CCOC2)[nH+]c1 76594853 351625107 /nfs/dbraw/zinc/62/51/07/351625107.db2.gz JFDMYIANZQMIPL-QMMMGPOBSA-N 1 2 164.208 1.282 20 0 ADADLO OCc1cccc(-c2c[nH]c[nH+]2)c1 71791894 351613937 /nfs/dbraw/zinc/61/39/37/351613937.db2.gz DURCKXGYWAYZKI-UHFFFAOYSA-N 1 2 174.203 1.569 20 0 ADADLO OCc1cccc(-n2cc[nH+]c2)c1 71791895 351614125 /nfs/dbraw/zinc/61/41/25/351614125.db2.gz VFRKJIFGXZRUFI-UHFFFAOYSA-N 1 2 174.203 1.365 20 0 ADADLO OCc1c[nH+]c2cc(Cl)ccn12 74376885 351621288 /nfs/dbraw/zinc/62/12/88/351621288.db2.gz XSOTWFZOOBWTCZ-UHFFFAOYSA-N 1 2 182.610 1.480 20 0 ADADLO c1ccc(N[C@@H]2CCOC2)[nH+]c1 76594849 351625352 /nfs/dbraw/zinc/62/53/52/351625352.db2.gz JFDMYIANZQMIPL-MRVPVSSYSA-N 1 2 164.208 1.282 20 0 ADADLO c1ccc(N[C@H]2CCSC2)[nH+]c1 76604509 351625424 /nfs/dbraw/zinc/62/54/24/351625424.db2.gz WUVURQVZXKENGN-QMMMGPOBSA-N 1 2 180.276 1.999 20 0 in-vitro ADADLO c1ccc(N2CCSCC2)[nH+]c1 79455828 351630267 /nfs/dbraw/zinc/63/02/67/351630267.db2.gz CFNOTPYYLMKGSA-UHFFFAOYSA-N 1 2 180.276 1.635 20 0 ADADLO c1ccc(NCc2ncc[nH]2)[nH+]c1 80591085 351632627 /nfs/dbraw/zinc/63/26/27/351632627.db2.gz QKELKOZABMHVNE-UHFFFAOYSA-N 1 2 174.207 1.417 20 0 ADADLO c1csc(Cn2cc[nH+]c2)n1 81970888 351634069 /nfs/dbraw/zinc/63/40/69/351634069.db2.gz WHORGZSCUXWWIQ-UHFFFAOYSA-N 1 2 165.221 1.388 20 0 ADADLO c1cncc(-c2cc3[nH+]ccn3[nH]2)c1 82823282 351641102 /nfs/dbraw/zinc/64/11/02/351641102.db2.gz KDPDQVWBUHEAHO-UHFFFAOYSA-N 1 2 184.202 1.724 20 0 ADADLO OCc1ccc(Cc2c[nH]c[nH+]2)cc1 104398648 351712961 /nfs/dbraw/zinc/71/29/61/351712961.db2.gz GHKFLWUNKQPJNH-UHFFFAOYSA-N 1 2 188.230 1.493 20 0 ADADLO OCc1ccc(Cc2c[nH+]c[nH]2)cc1 104398648 351712963 /nfs/dbraw/zinc/71/29/63/351712963.db2.gz GHKFLWUNKQPJNH-UHFFFAOYSA-N 1 2 188.230 1.493 20 0 ADADLO O=Cc1cccnc1-n1cc[nH+]c1 104397644 351712996 /nfs/dbraw/zinc/71/29/96/351712996.db2.gz BXCSIVKSSGIKDC-UHFFFAOYSA-N 1 2 173.175 1.080 20 0 ADADLO Cn1c[nH+]cc1-c1cccc(O)c1 116366751 351725117 /nfs/dbraw/zinc/72/51/17/351725117.db2.gz ANQONSCCVOBLDY-UHFFFAOYSA-N 1 2 174.203 1.793 20 0 ADADLO CC[C@H](O)CNc1[nH+]cccc1OC 125109744 351730212 /nfs/dbraw/zinc/73/02/12/351730212.db2.gz AARFMZIDQNNACJ-QMMMGPOBSA-N 1 2 196.250 1.273 20 0 ADADLO CC(C)(C)OC(=O)[C@]1(C)CCCC[NH2+]1 135443430 351739242 /nfs/dbraw/zinc/73/92/42/351739242.db2.gz OIPQXFCXFUTYRK-NSHDSACASA-N 1 2 199.294 1.860 20 0 ADADLO CC(C)(C)OC(=O)[C@@]1(C)CCCC[NH2+]1 135443412 351739336 /nfs/dbraw/zinc/73/93/36/351739336.db2.gz OIPQXFCXFUTYRK-LLVKDONJSA-N 1 2 199.294 1.860 20 0 ADADLO c1cncc(-c2cn3c([nH+]2)CCC3)c1 141732145 351745707 /nfs/dbraw/zinc/74/57/07/351745707.db2.gz BASXAKGFCMKLMU-UHFFFAOYSA-N 1 2 185.230 1.891 20 0 ADADLO CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C 142472490 351745898 /nfs/dbraw/zinc/74/58/98/351745898.db2.gz QRQIXQCODFHZGO-QMMMGPOBSA-N 1 2 181.239 1.243 20 0 ADADLO CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C 142472726 351746011 /nfs/dbraw/zinc/74/60/11/351746011.db2.gz QRQIXQCODFHZGO-MRVPVSSYSA-N 1 2 181.239 1.243 20 0 ADADLO COc1ccc[nH+]c1NCC(C)(C)O 159596841 351756162 /nfs/dbraw/zinc/75/61/62/351756162.db2.gz BXWLOGLJUBPQQA-UHFFFAOYSA-N 1 2 196.250 1.273 20 0 ADADLO CO[C@@H]1CCN(c2cccc[nH+]2)C1 164597451 351764986 /nfs/dbraw/zinc/76/49/86/351764986.db2.gz JTZPCOWSGIZAEH-SECBINFHSA-N 1 2 178.235 1.307 20 0 ADADLO CO[C@H]1CCN(c2cccc[nH+]2)C1 164597507 351765015 /nfs/dbraw/zinc/76/50/15/351765015.db2.gz JTZPCOWSGIZAEH-VIFPVBQESA-N 1 2 178.235 1.307 20 0 ADADLO CCO/C=C/c1c[nH+]cc(F)c1N 223493844 351795506 /nfs/dbraw/zinc/79/55/06/351795506.db2.gz KRQMMQWVIOGZLA-ONEGZZNKSA-N 1 2 182.198 1.810 20 0 ADADLO Cc1nc(NCC2(C)CC2)cc[nH+]1 224430661 351796497 /nfs/dbraw/zinc/79/64/97/351796497.db2.gz OICJEBIVLHKDEH-UHFFFAOYSA-N 1 2 177.251 1.997 20 0 ADADLO CC1(C)C[C@@H]1C(=O)NCc1[nH]cc[nH+]1 228664629 351805836 /nfs/dbraw/zinc/80/58/36/351805836.db2.gz VVECJKANGZYWFM-SSDOTTSWSA-N 1 2 193.250 1.072 20 0 ADADLO CC1(C)C[C@@H]1C(=O)NCc1c[nH+]c[nH]1 228672355 351806025 /nfs/dbraw/zinc/80/60/25/351806025.db2.gz MSKMSAYQYVMYHL-MRVPVSSYSA-N 1 2 193.250 1.072 20 0 ADADLO CC1(C)C[C@@H]1C(=O)NCc1c[nH]c[nH+]1 228672355 351806027 /nfs/dbraw/zinc/80/60/27/351806027.db2.gz MSKMSAYQYVMYHL-MRVPVSSYSA-N 1 2 193.250 1.072 20 0 ADADLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccn[nH]1 230155489 351810589 /nfs/dbraw/zinc/81/05/89/351810589.db2.gz RHYADLWPKCFEPY-WCBMZHEXSA-N 1 2 195.266 1.067 20 0 ADADLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccn[nH]1 230155496 351810696 /nfs/dbraw/zinc/81/06/96/351810696.db2.gz RHYADLWPKCFEPY-WPRPVWTQSA-N 1 2 195.266 1.067 20 0 ADADLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccn[nH]1 230155492 351810906 /nfs/dbraw/zinc/81/09/06/351810906.db2.gz RHYADLWPKCFEPY-PSASIEDQSA-N 1 2 195.266 1.067 20 0 ADADLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccn[nH]1 230155500 351810981 /nfs/dbraw/zinc/81/09/81/351810981.db2.gz RHYADLWPKCFEPY-SCZZXKLOSA-N 1 2 195.266 1.067 20 0 ADADLO Cc1c[nH+]cc(NCC2(C)COC2)c1 232073853 351814017 /nfs/dbraw/zinc/81/40/17/351814017.db2.gz KJRJGOZNZQRCJF-UHFFFAOYSA-N 1 2 192.262 1.838 20 0 ADADLO COc1ccc[nH+]c1NCCCCO 234948780 351815731 /nfs/dbraw/zinc/81/57/31/351815731.db2.gz JTDXSSWVEKVUCD-UHFFFAOYSA-N 1 2 196.250 1.275 20 0 ADADLO O[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 249919287 351831378 /nfs/dbraw/zinc/83/13/78/351831378.db2.gz URUIFNIYWWHXBH-MGCOHNPYSA-N 1 2 192.262 1.797 20 0 ADADLO C[N@H+](CC(F)F)[C@H]1CCCC[C@H]1O 252726071 351842482 /nfs/dbraw/zinc/84/24/82/351842482.db2.gz MKKSYZIFGPMKSZ-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO C[N@@H+](CC(F)F)[C@H]1CCCC[C@H]1O 252726071 351842485 /nfs/dbraw/zinc/84/24/85/351842485.db2.gz MKKSYZIFGPMKSZ-JGVFFNPUSA-N 1 2 193.237 1.487 20 0 ADADLO CC(C)c1[nH+]c2n(c1CO)CCCC2 259160872 351870608 /nfs/dbraw/zinc/87/06/08/351870608.db2.gz VNHLAAWKJPMMQA-UHFFFAOYSA-N 1 2 194.278 1.835 20 0 ADADLO CC[C@@H](C)C[NH+]1CC(F)C1 306576956 351947629 /nfs/dbraw/zinc/94/76/29/351947629.db2.gz UKRWZFOIYAPJNN-SSDOTTSWSA-N 1 2 145.221 1.686 20 0 ADADLO CC1(C)C[C@H](N)C(F)(F)C(C)(C)[NH2+]1 261507549 351892107 /nfs/dbraw/zinc/89/21/07/351892107.db2.gz JSVNFWBDIRGOPP-LURJTMIESA-N 1 2 192.253 1.500 20 0 ADADLO CC1(C)C[C@@H](N)C(F)(F)C(C)(C)[NH2+]1 261507550 351892061 /nfs/dbraw/zinc/89/20/61/351892061.db2.gz JSVNFWBDIRGOPP-ZCFIWIBFSA-N 1 2 192.253 1.500 20 0 ADADLO C[C@@H]1CCN(c2cccc[nH+]2)C[C@H]1O 299891272 351893414 /nfs/dbraw/zinc/89/34/14/351893414.db2.gz LTRKJCXNILTFDI-NXEZZACHSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@H]1CCN(c2cccc[nH+]2)C[C@H]1O 299891273 351893244 /nfs/dbraw/zinc/89/32/44/351893244.db2.gz LTRKJCXNILTFDI-VHSXEESVSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@H]1CCN(c2cccc[nH+]2)[C@H]1CO 299915375 351894349 /nfs/dbraw/zinc/89/43/49/351894349.db2.gz ULWANFHKOLIIQM-UWVGGRQHSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@@H]1CCN(c2cccc[nH+]2)[C@H]1CO 299915376 351894375 /nfs/dbraw/zinc/89/43/75/351894375.db2.gz ULWANFHKOLIIQM-ZJUUUORDSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccco2)CCO1 306188680 351905765 /nfs/dbraw/zinc/90/57/65/351905765.db2.gz OXQOCQSHOZDGQX-SECBINFHSA-N 1 2 181.235 1.500 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccco2)CCO1 306188680 351905767 /nfs/dbraw/zinc/90/57/67/351905767.db2.gz OXQOCQSHOZDGQX-SECBINFHSA-N 1 2 181.235 1.500 20 0 ADADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)CCS1 306188588 351905885 /nfs/dbraw/zinc/90/58/85/351905885.db2.gz OLULPJFUNMEBNV-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CCS1 306188588 351905887 /nfs/dbraw/zinc/90/58/87/351905887.db2.gz OLULPJFUNMEBNV-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2cnn[nH]2)C1 306225288 351909925 /nfs/dbraw/zinc/90/99/25/351909925.db2.gz FCHZKYSSECKZDP-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2cnn[nH]2)C1 306225288 351909927 /nfs/dbraw/zinc/90/99/27/351909927.db2.gz FCHZKYSSECKZDP-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 306225288 351909928 /nfs/dbraw/zinc/90/99/28/351909928.db2.gz FCHZKYSSECKZDP-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2c[nH]nn2)C1 306225288 351909931 /nfs/dbraw/zinc/90/99/31/351909931.db2.gz FCHZKYSSECKZDP-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2cn[nH]n2)C1 306225288 351909935 /nfs/dbraw/zinc/90/99/35/351909935.db2.gz FCHZKYSSECKZDP-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)C1 306225288 351909939 /nfs/dbraw/zinc/90/99/39/351909939.db2.gz FCHZKYSSECKZDP-MRVPVSSYSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 306241309 351912329 /nfs/dbraw/zinc/91/23/29/351912329.db2.gz KVMYWGZHSPTUHE-ZCFIWIBFSA-N 1 2 181.239 1.246 20 0 ADADLO C[C@@H]1COCC[N@@H+]1CCC(F)(F)F 306258073 351912969 /nfs/dbraw/zinc/91/29/69/351912969.db2.gz RGVQWYBLRUSUJV-SSDOTTSWSA-N 1 2 197.200 1.660 20 0 ADADLO C[C@@H]1COCC[N@H+]1CCC(F)(F)F 306258073 351912971 /nfs/dbraw/zinc/91/29/71/351912971.db2.gz RGVQWYBLRUSUJV-SSDOTTSWSA-N 1 2 197.200 1.660 20 0 ADADLO C[C@@H]1C[C@@H]([NH2+]CCF)c2nccn21 306270112 351913747 /nfs/dbraw/zinc/91/37/47/351913747.db2.gz OAVNPVHMZZWMNO-HTQZYQBOSA-N 1 2 183.230 1.448 20 0 ADADLO CCSc1nc(N)cc(CC)[nH+]1 306269622 351913815 /nfs/dbraw/zinc/91/38/15/351913815.db2.gz SQJRBVDWDWXEJC-UHFFFAOYSA-N 1 2 183.280 1.733 20 0 ADADLO C[C@@H]1C[C@H]([NH2+]CCF)c2nccn21 306270114 351913849 /nfs/dbraw/zinc/91/38/49/351913849.db2.gz OAVNPVHMZZWMNO-SFYZADRCSA-N 1 2 183.230 1.448 20 0 ADADLO C[C@@H]1CCC[N@H+](CC(F)F)[C@@H]1CO 306326885 351920609 /nfs/dbraw/zinc/92/06/09/351920609.db2.gz PPFOPDPPFWWMII-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H]1CCC[N@@H+](CC(F)F)[C@@H]1CO 306326885 351920612 /nfs/dbraw/zinc/92/06/12/351920612.db2.gz PPFOPDPPFWWMII-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO c1cc(OCc2ccon2)cc[nH+]1 306353590 351922229 /nfs/dbraw/zinc/92/22/29/351922229.db2.gz INTVNORCNNFSCP-UHFFFAOYSA-N 1 2 176.175 1.649 20 0 ADADLO C[C@@H]1COCC[N@@H+]1Cc1cncs1 306363216 351923367 /nfs/dbraw/zinc/92/33/67/351923367.db2.gz WYGNBKWENMXPTP-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@@H]1COCC[N@H+]1Cc1cncs1 306363216 351923369 /nfs/dbraw/zinc/92/33/69/351923369.db2.gz WYGNBKWENMXPTP-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@@H]1C[C@H](O)CC[N@@H+]1CC(F)F 306373272 351924350 /nfs/dbraw/zinc/92/43/50/351924350.db2.gz KCAZRUXATBOXMQ-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]1C[C@H](O)CC[N@H+]1CC(F)F 306373272 351924352 /nfs/dbraw/zinc/92/43/52/351924352.db2.gz KCAZRUXATBOXMQ-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccsc2)CCO1 306394658 351925508 /nfs/dbraw/zinc/92/55/08/351925508.db2.gz GCYLUICASXNSGY-SECBINFHSA-N 1 2 197.303 1.969 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 306394658 351925510 /nfs/dbraw/zinc/92/55/10/351925510.db2.gz GCYLUICASXNSGY-SECBINFHSA-N 1 2 197.303 1.969 20 0 ADADLO CC[C@@H](C)[N@@H+]1CCOCC(F)(F)C1 306394440 351925754 /nfs/dbraw/zinc/92/57/54/351925754.db2.gz DXWIYUHJTHBTKB-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CC[C@@H](C)[N@H+]1CCOCC(F)(F)C1 306394440 351925757 /nfs/dbraw/zinc/92/57/57/351925757.db2.gz DXWIYUHJTHBTKB-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO c1cc(OC[C@H]2CCOC2)cc[nH+]1 306411179 351926966 /nfs/dbraw/zinc/92/69/66/351926966.db2.gz OKAYPFZJRHJBAD-VIFPVBQESA-N 1 2 179.219 1.497 20 0 ADADLO c1cc(OC[C@@H]2CCOC2)cc[nH+]1 306411178 351927040 /nfs/dbraw/zinc/92/70/40/351927040.db2.gz OKAYPFZJRHJBAD-SECBINFHSA-N 1 2 179.219 1.497 20 0 ADADLO C[C@@H]1C[N@H+](Cc2cnc[nH]2)CCS1 306445398 351931137 /nfs/dbraw/zinc/93/11/37/351931137.db2.gz QLFUNUUBUAFDGC-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cnc[nH]2)CCS1 306445398 351931141 /nfs/dbraw/zinc/93/11/41/351931141.db2.gz QLFUNUUBUAFDGC-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO c1snnc1C[NH+]1CCCCCC1 306456588 351933316 /nfs/dbraw/zinc/93/33/16/351933316.db2.gz UPNXWPMHPBFPIL-UHFFFAOYSA-N 1 2 197.307 1.914 20 0 ADADLO C[C@@H]1CSCC[N@@H+]1Cc1c[nH]cn1 306512857 351940869 /nfs/dbraw/zinc/94/08/69/351940869.db2.gz QVYZTZWQINZQFB-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1CSCC[N@H+]1Cc1c[nH]cn1 306512857 351940871 /nfs/dbraw/zinc/94/08/71/351940871.db2.gz QVYZTZWQINZQFB-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1CSCC[N@@H+]1Cc1cnc[nH]1 306512857 351940872 /nfs/dbraw/zinc/94/08/72/351940872.db2.gz QVYZTZWQINZQFB-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1CSCC[N@H+]1Cc1cnc[nH]1 306512857 351940875 /nfs/dbraw/zinc/94/08/75/351940875.db2.gz QVYZTZWQINZQFB-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@H]1CSCC[N@@H+]1Cc1c[nH]cn1 306512858 351940998 /nfs/dbraw/zinc/94/09/98/351940998.db2.gz QVYZTZWQINZQFB-QMMMGPOBSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@H]1CSCC[N@H+]1Cc1c[nH]cn1 306512858 351941000 /nfs/dbraw/zinc/94/10/00/351941000.db2.gz QVYZTZWQINZQFB-QMMMGPOBSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@H]1CSCC[N@@H+]1Cc1cnc[nH]1 306512858 351941001 /nfs/dbraw/zinc/94/10/01/351941001.db2.gz QVYZTZWQINZQFB-QMMMGPOBSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@H]1CSCC[N@H+]1Cc1cnc[nH]1 306512858 351941005 /nfs/dbraw/zinc/94/10/05/351941005.db2.gz QVYZTZWQINZQFB-QMMMGPOBSA-N 1 2 197.307 1.347 20 0 ADADLO O=[S@@]1CC[C@@H](Nc2cccc[nH+]2)C1 306560466 351945813 /nfs/dbraw/zinc/94/58/13/351945813.db2.gz BCUAVZYHYVJKDE-AMIZOPFISA-N 1 2 196.275 1.015 20 0 ADADLO O=[S@]1CC[C@H](Nc2cccc[nH+]2)C1 306560465 351945892 /nfs/dbraw/zinc/94/58/92/351945892.db2.gz BCUAVZYHYVJKDE-SDBXPKJASA-N 1 2 196.275 1.015 20 0 ADADLO O=[S@@]1CC[C@H](Nc2cccc[nH+]2)C1 306560467 351945901 /nfs/dbraw/zinc/94/59/01/351945901.db2.gz BCUAVZYHYVJKDE-ISVAXAHUSA-N 1 2 196.275 1.015 20 0 ADADLO O=[S@]1CC[C@@H](Nc2cccc[nH+]2)C1 306560464 351946022 /nfs/dbraw/zinc/94/60/22/351946022.db2.gz BCUAVZYHYVJKDE-OQPBUACISA-N 1 2 196.275 1.015 20 0 ADADLO C[C@@H]1C[N@H+](Cc2cncs2)CCO1 306578805 351948078 /nfs/dbraw/zinc/94/80/78/351948078.db2.gz WLBBQNXQOIABAH-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cncs2)CCO1 306578805 351948084 /nfs/dbraw/zinc/94/80/84/351948084.db2.gz WLBBQNXQOIABAH-MRVPVSSYSA-N 1 2 198.291 1.364 20 0 ADADLO Fc1c[nH+]ccc1NC[C@@H]1CCCO1 306611891 351950225 /nfs/dbraw/zinc/95/02/25/351950225.db2.gz HJCXCNKJFPZIDO-QMMMGPOBSA-N 1 2 196.225 1.812 20 0 ADADLO Fc1c[nH+]ccc1NC[C@H]1CCCO1 306611889 351950260 /nfs/dbraw/zinc/95/02/60/351950260.db2.gz HJCXCNKJFPZIDO-MRVPVSSYSA-N 1 2 196.225 1.812 20 0 ADADLO CCSc1[nH+]cnc2c1cnn2C 306719342 351958707 /nfs/dbraw/zinc/95/87/07/351958707.db2.gz XPTHCAXVSDNNFJ-UHFFFAOYSA-N 1 2 194.263 1.475 20 0 ADADLO Cc1[nH]ncc1C[N@@H+](C)C1CC1 306740310 351960163 /nfs/dbraw/zinc/96/01/63/351960163.db2.gz BWAQVZVLVBYNOG-UHFFFAOYSA-N 1 2 165.240 1.312 20 0 ADADLO Cc1[nH]ncc1C[N@H+](C)C1CC1 306740310 351960167 /nfs/dbraw/zinc/96/01/67/351960167.db2.gz BWAQVZVLVBYNOG-UHFFFAOYSA-N 1 2 165.240 1.312 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccon2)CCS1 306783873 351964736 /nfs/dbraw/zinc/96/47/36/351964736.db2.gz GZCHZULJTSYVCJ-MRVPVSSYSA-N 1 2 198.291 1.612 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccon2)CCS1 306783873 351964739 /nfs/dbraw/zinc/96/47/39/351964739.db2.gz GZCHZULJTSYVCJ-MRVPVSSYSA-N 1 2 198.291 1.612 20 0 ADADLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccn[nH]1 306793083 351965633 /nfs/dbraw/zinc/96/56/33/351965633.db2.gz APKCKQVXRFPHPV-APPZFPTMSA-N 1 2 197.307 1.251 20 0 ADADLO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccn[nH]1 306793097 351965854 /nfs/dbraw/zinc/96/58/54/351965854.db2.gz APKCKQVXRFPHPV-VXNVDRBHSA-N 1 2 197.307 1.251 20 0 ADADLO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(F)F 307062071 351983994 /nfs/dbraw/zinc/98/39/94/351983994.db2.gz MAYDJAARQCGFCT-YUMQZZPRSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(F)F 307062071 351983993 /nfs/dbraw/zinc/98/39/93/351983993.db2.gz MAYDJAARQCGFCT-YUMQZZPRSA-N 1 2 193.237 1.344 20 0 ADADLO O[C@H]1CCCN(c2cccc[nH+]2)CC1 307073783 351985332 /nfs/dbraw/zinc/98/53/32/351985332.db2.gz MQIOLFQGRDWBAP-JTQLQIEISA-N 1 2 192.262 1.433 20 0 ADADLO O[C@@H]1CCCN(c2cccc[nH+]2)CC1 307073790 351985414 /nfs/dbraw/zinc/98/54/14/351985414.db2.gz MQIOLFQGRDWBAP-SNVBAGLBSA-N 1 2 192.262 1.433 20 0 ADADLO CC(C)=CC[NH+]1CCS(=O)CC1 307100474 351986606 /nfs/dbraw/zinc/98/66/06/351986606.db2.gz TWRQHYIDAHLKMQ-UHFFFAOYSA-N 1 2 187.308 1.017 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)CCS1 307168057 351992064 /nfs/dbraw/zinc/99/20/64/351992064.db2.gz UBAVQGWRERLYGY-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)CCS1 307168057 351992066 /nfs/dbraw/zinc/99/20/66/351992066.db2.gz UBAVQGWRERLYGY-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO c1ccc(N2CCCOCC2)[nH+]c1 307186986 351992349 /nfs/dbraw/zinc/99/23/49/351992349.db2.gz VBOACUTYNJLSJJ-UHFFFAOYSA-N 1 2 178.235 1.308 20 0 ADADLO C[C@@H]1CSCC[N@@H+]1Cc1ccon1 307194918 351993406 /nfs/dbraw/zinc/99/34/06/351993406.db2.gz QLQZQKQJXHKDAQ-MRVPVSSYSA-N 1 2 198.291 1.612 20 0 ADADLO C[C@@H]1CSCC[N@H+]1Cc1ccon1 307194918 351993409 /nfs/dbraw/zinc/99/34/09/351993409.db2.gz QLQZQKQJXHKDAQ-MRVPVSSYSA-N 1 2 198.291 1.612 20 0 ADADLO C[C@@H]1COCC[N@@H+]1Cc1ccco1 307258920 351998722 /nfs/dbraw/zinc/99/87/22/351998722.db2.gz FYSHEEVXPUGNDG-SECBINFHSA-N 1 2 181.235 1.500 20 0 ADADLO C[C@@H]1COCC[N@H+]1Cc1ccco1 307258920 351998725 /nfs/dbraw/zinc/99/87/25/351998725.db2.gz FYSHEEVXPUGNDG-SECBINFHSA-N 1 2 181.235 1.500 20 0 ADADLO OCC[N@@H+]1Cc2cccc(Cl)c2C1 307284625 352001142 /nfs/dbraw/zinc/00/11/42/352001142.db2.gz JPTKVBGZDAFQHY-UHFFFAOYSA-N 1 2 197.665 1.648 20 0 ADADLO OCC[N@H+]1Cc2cccc(Cl)c2C1 307284625 352001145 /nfs/dbraw/zinc/00/11/45/352001145.db2.gz JPTKVBGZDAFQHY-UHFFFAOYSA-N 1 2 197.665 1.648 20 0 ADADLO c1cn(CCC2CCOCC2)c[nH+]1 307362946 352007103 /nfs/dbraw/zinc/00/71/03/352007103.db2.gz HBPMWFLYNOJLGB-UHFFFAOYSA-N 1 2 180.251 1.700 20 0 ADADLO OC[C@H]1C=C[C@@H](Nc2cccc[nH+]2)C1 307375501 352008084 /nfs/dbraw/zinc/00/80/84/352008084.db2.gz VBHIRVZQQAKEST-VHSXEESVSA-N 1 2 190.246 1.431 20 0 ADADLO COC[C@@H](C)Nc1cc[nH+]cc1F 307455676 352014697 /nfs/dbraw/zinc/01/46/97/352014697.db2.gz XOGXLVUPZNYWSW-SSDOTTSWSA-N 1 2 184.214 1.668 20 0 ADADLO COC[C@H](C)Nc1cc[nH+]cc1F 307455677 352014804 /nfs/dbraw/zinc/01/48/04/352014804.db2.gz XOGXLVUPZNYWSW-ZETCQYMHSA-N 1 2 184.214 1.668 20 0 ADADLO C[C@@H]1CSCC[N@@H+]1Cc1cc[nH]n1 307471884 352015997 /nfs/dbraw/zinc/01/59/97/352015997.db2.gz PZPBZTFAPWRTJD-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1CSCC[N@H+]1Cc1cc[nH]n1 307471884 352016001 /nfs/dbraw/zinc/01/60/01/352016001.db2.gz PZPBZTFAPWRTJD-MRVPVSSYSA-N 1 2 197.307 1.347 20 0 ADADLO C[C@@H]1C[C@H]1C[NH+]1CC(F)C1 307520255 352018655 /nfs/dbraw/zinc/01/86/55/352018655.db2.gz XMPWFSGUOJWQFX-RQJHMYQMSA-N 1 2 143.205 1.296 20 0 ADADLO C[C@@H]1C[C@@H]1C[NH+]1CC(F)C1 307520254 352018801 /nfs/dbraw/zinc/01/88/01/352018801.db2.gz XMPWFSGUOJWQFX-RNFRBKRXSA-N 1 2 143.205 1.296 20 0 ADADLO O[C@@H]1CCC[C@H]1Nc1cccc[nH+]1 307532224 352020640 /nfs/dbraw/zinc/02/06/40/352020640.db2.gz YVFQGVBSABPKID-RKDXNWHRSA-N 1 2 178.235 1.407 20 0 ADADLO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH]nn1 307558484 352022194 /nfs/dbraw/zinc/02/21/94/352022194.db2.gz WAQLNBULAURMJK-PSASIEDQSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn[nH]n1 307558484 352022196 /nfs/dbraw/zinc/02/21/96/352022196.db2.gz WAQLNBULAURMJK-PSASIEDQSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]nn1 307558486 352022295 /nfs/dbraw/zinc/02/22/95/352022295.db2.gz WAQLNBULAURMJK-SCZZXKLOSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn[nH]n1 307558486 352022297 /nfs/dbraw/zinc/02/22/97/352022297.db2.gz WAQLNBULAURMJK-SCZZXKLOSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1C[C@H](O)CN1c1cccc[nH+]1 307667850 352029948 /nfs/dbraw/zinc/02/99/48/352029948.db2.gz PKSYZFFYYCHBOI-BDAKNGLRSA-N 1 2 178.235 1.041 20 0 ADADLO C[C@@H]1C[C@@H](O)CN1c1cccc[nH+]1 307667853 352030133 /nfs/dbraw/zinc/03/01/33/352030133.db2.gz PKSYZFFYYCHBOI-RKDXNWHRSA-N 1 2 178.235 1.041 20 0 ADADLO CC(C)C[N@H+]1CCOCC(F)(F)C1 307723347 352035391 /nfs/dbraw/zinc/03/53/91/352035391.db2.gz USEILPNIQLNQGI-UHFFFAOYSA-N 1 2 193.237 1.610 20 0 ADADLO CC(C)C[N@@H+]1CCOCC(F)(F)C1 307723347 352035388 /nfs/dbraw/zinc/03/53/88/352035388.db2.gz USEILPNIQLNQGI-UHFFFAOYSA-N 1 2 193.237 1.610 20 0 ADADLO c1nc(C[N@@H+]2CCCOCC2)cs1 307722804 352035532 /nfs/dbraw/zinc/03/55/32/352035532.db2.gz SWLGVXUVJTXXKV-UHFFFAOYSA-N 1 2 198.291 1.365 20 0 ADADLO c1nc(C[N@H+]2CCCOCC2)cs1 307722804 352035534 /nfs/dbraw/zinc/03/55/34/352035534.db2.gz SWLGVXUVJTXXKV-UHFFFAOYSA-N 1 2 198.291 1.365 20 0 ADADLO CC(=O)C[N@@H+](C)Cc1occc1C 308335352 352049290 /nfs/dbraw/zinc/04/92/90/352049290.db2.gz NTKHPEDKWLMRQS-UHFFFAOYSA-N 1 2 181.235 1.609 20 0 ADADLO CC(=O)C[N@H+](C)Cc1occc1C 308335352 352049293 /nfs/dbraw/zinc/04/92/93/352049293.db2.gz NTKHPEDKWLMRQS-UHFFFAOYSA-N 1 2 181.235 1.609 20 0 ADADLO C[C@@H]1COCC[N@@H+]1Cc1ccncc1 334225725 352059145 /nfs/dbraw/zinc/05/91/45/352059145.db2.gz MIWJIIBGRAMWDF-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1COCC[N@H+]1Cc1ccncc1 334225725 352059149 /nfs/dbraw/zinc/05/91/49/352059149.db2.gz MIWJIIBGRAMWDF-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2cn[nH]n2)C1 334245516 352059372 /nfs/dbraw/zinc/05/93/72/352059372.db2.gz RWKGKEAPQAWBHN-RKDXNWHRSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@H]1COCC[N@@H+]1Cc1ccncc1 334225724 352059658 /nfs/dbraw/zinc/05/96/58/352059658.db2.gz MIWJIIBGRAMWDF-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO C[C@H]1COCC[N@H+]1Cc1ccncc1 334225724 352059660 /nfs/dbraw/zinc/05/96/60/352059660.db2.gz MIWJIIBGRAMWDF-JTQLQIEISA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccccn2)CCO1 334254309 352061036 /nfs/dbraw/zinc/06/10/36/352061036.db2.gz XWHYUZNIQNLPSE-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccccn2)CCO1 334254309 352061039 /nfs/dbraw/zinc/06/10/39/352061039.db2.gz XWHYUZNIQNLPSE-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1COCC[N@@H+]1Cc1cccnc1 334279899 352062250 /nfs/dbraw/zinc/06/22/50/352062250.db2.gz QXTWGXIRJSFGIY-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1COCC[N@H+]1Cc1cccnc1 334279899 352062251 /nfs/dbraw/zinc/06/22/51/352062251.db2.gz QXTWGXIRJSFGIY-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccno2)[C@H](C)CO1 334330881 352065419 /nfs/dbraw/zinc/06/54/19/352065419.db2.gz PDCXWIFQHIATGY-RKDXNWHRSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccno2)[C@H](C)CO1 334330881 352065421 /nfs/dbraw/zinc/06/54/21/352065421.db2.gz PDCXWIFQHIATGY-RKDXNWHRSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccncc2)CCO1 334402419 352067856 /nfs/dbraw/zinc/06/78/56/352067856.db2.gz GACSKNYLHSXVOX-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 334402419 352067858 /nfs/dbraw/zinc/06/78/58/352067858.db2.gz GACSKNYLHSXVOX-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1CN(c2cccc[nH+]2)CCCO1 334479498 352072922 /nfs/dbraw/zinc/07/29/22/352072922.db2.gz SDLKPSRUDKRQTJ-SNVBAGLBSA-N 1 2 192.262 1.697 20 0 ADADLO C[C@@H]1C[N@H+](Cc2cccnc2)CCO1 334521520 352074028 /nfs/dbraw/zinc/07/40/28/352074028.db2.gz RKYLMASFEGDNRW-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cccnc2)CCO1 334521520 352074031 /nfs/dbraw/zinc/07/40/31/352074031.db2.gz RKYLMASFEGDNRW-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ccon2)CCCO1 334575640 352076040 /nfs/dbraw/zinc/07/60/40/352076040.db2.gz ATYDYMGOEKYZRR-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ccon2)CCCO1 334575640 352076041 /nfs/dbraw/zinc/07/60/41/352076041.db2.gz ATYDYMGOEKYZRR-SECBINFHSA-N 1 2 196.250 1.285 20 0 ADADLO c1nn[nH]c1C[N@@H+]1CCCC2(CC2)C1 334623209 352077190 /nfs/dbraw/zinc/07/71/90/352077190.db2.gz QSPTWTWWHWBBFE-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1nn[nH]c1C[N@H+]1CCCC2(CC2)C1 334623209 352077192 /nfs/dbraw/zinc/07/71/92/352077192.db2.gz QSPTWTWWHWBBFE-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1[nH]nnc1C[N@@H+]1CCCC2(CC2)C1 334623209 352077193 /nfs/dbraw/zinc/07/71/93/352077193.db2.gz QSPTWTWWHWBBFE-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1[nH]nnc1C[N@H+]1CCCC2(CC2)C1 334623209 352077195 /nfs/dbraw/zinc/07/71/95/352077195.db2.gz QSPTWTWWHWBBFE-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1n[nH]nc1C[N@@H+]1CCCC2(CC2)C1 334623209 352077196 /nfs/dbraw/zinc/07/71/96/352077196.db2.gz QSPTWTWWHWBBFE-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO c1n[nH]nc1C[N@H+]1CCCC2(CC2)C1 334623209 352077197 /nfs/dbraw/zinc/07/71/97/352077197.db2.gz QSPTWTWWHWBBFE-UHFFFAOYSA-N 1 2 192.266 1.181 20 0 ADADLO CCC(=O)Nc1c[nH+]c2n1CCCC2 334696444 352079800 /nfs/dbraw/zinc/07/98/00/352079800.db2.gz PSXUXGGXTDAOKR-UHFFFAOYSA-N 1 2 193.250 1.568 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2cn[nH]n2)CC1 334792698 352081961 /nfs/dbraw/zinc/08/19/61/352081961.db2.gz IWYSXXMQGGCELU-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2cn[nH]n2)CC1 334792698 352081963 /nfs/dbraw/zinc/08/19/63/352081963.db2.gz IWYSXXMQGGCELU-SECBINFHSA-N 1 2 194.282 1.427 20 0 ADADLO C[C@@H]1COCC[N@@H+]1Cc1ccccn1 334803891 352082594 /nfs/dbraw/zinc/08/25/94/352082594.db2.gz WRAWGTDNSYUCTF-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1COCC[N@H+]1Cc1ccccn1 334803891 352082598 /nfs/dbraw/zinc/08/25/98/352082598.db2.gz WRAWGTDNSYUCTF-SNVBAGLBSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H]1CC[N@H+](CC(N)=O)[C@H](C(N)=O)C1 334877712 352084118 /nfs/dbraw/zinc/08/41/18/352084118.db2.gz XNAGESCATISGEZ-RQJHMYQMSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C(N)=O)C1 334877712 352084122 /nfs/dbraw/zinc/08/41/22/352084122.db2.gz XNAGESCATISGEZ-RQJHMYQMSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C(N)=O)C1 334877711 352084723 /nfs/dbraw/zinc/08/47/23/352084723.db2.gz XNAGESCATISGEZ-RNFRBKRXSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C(N)=O)C1 334877711 352084725 /nfs/dbraw/zinc/08/47/25/352084725.db2.gz XNAGESCATISGEZ-RNFRBKRXSA-N 1 2 199.254 1.157 20 0 ADADLO C[C@@H]1CC[C@H]([N@H+](C)Cc2nnc[nH]2)C1 335038343 352087850 /nfs/dbraw/zinc/08/78/50/352087850.db2.gz JGYCURUGVWSGID-BDAKNGLRSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc[nH]2)C1 335038343 352087852 /nfs/dbraw/zinc/08/78/52/352087852.db2.gz JGYCURUGVWSGID-BDAKNGLRSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)C1 335038346 352087895 /nfs/dbraw/zinc/08/78/95/352087895.db2.gz JGYCURUGVWSGID-RKDXNWHRSA-N 1 2 194.282 1.425 20 0 ADADLO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)C1 335038346 352087897 /nfs/dbraw/zinc/08/78/97/352087897.db2.gz JGYCURUGVWSGID-RKDXNWHRSA-N 1 2 194.282 1.425 20 0 ADADLO OCC[N@@H+]1Cc2cccc(F)c2C1 335167950 352089908 /nfs/dbraw/zinc/08/99/08/352089908.db2.gz NUKCFTJYORUWRA-UHFFFAOYSA-N 1 2 181.210 1.134 20 0 ADADLO OCC[N@H+]1Cc2cccc(F)c2C1 335167950 352089911 /nfs/dbraw/zinc/08/99/11/352089911.db2.gz NUKCFTJYORUWRA-UHFFFAOYSA-N 1 2 181.210 1.134 20 0 ADADLO C[N@H+](Cc1cnns1)[C@H]1CC1(C)C 335198570 352091170 /nfs/dbraw/zinc/09/11/70/352091170.db2.gz XXZLGDUAIKKLOF-QMMMGPOBSA-N 1 2 197.307 1.768 20 0 ADADLO C[N@@H+](Cc1cnns1)[C@H]1CC1(C)C 335198570 352091171 /nfs/dbraw/zinc/09/11/71/352091171.db2.gz XXZLGDUAIKKLOF-QMMMGPOBSA-N 1 2 197.307 1.768 20 0 ADADLO C[N@H+](Cc1cnns1)[C@@H]1CC1(C)C 335198569 352091222 /nfs/dbraw/zinc/09/12/22/352091222.db2.gz XXZLGDUAIKKLOF-MRVPVSSYSA-N 1 2 197.307 1.768 20 0 ADADLO C[N@@H+](Cc1cnns1)[C@@H]1CC1(C)C 335198569 352091224 /nfs/dbraw/zinc/09/12/24/352091224.db2.gz XXZLGDUAIKKLOF-MRVPVSSYSA-N 1 2 197.307 1.768 20 0 ADADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1CO 335337433 352095410 /nfs/dbraw/zinc/09/54/10/352095410.db2.gz YRZIRMWHXBZDOG-ZJUUUORDSA-N 1 2 192.262 1.146 20 0 ADADLO O[C@H]1C[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 335395761 352096876 /nfs/dbraw/zinc/09/68/76/352096876.db2.gz QOKMZCZVQDNOLT-OCAPTIKFSA-N 1 2 191.221 1.098 20 0 ADADLO O[C@H]1C[C@@H](C[N@H+]2CCC(F)(F)C2)C1 335395761 352096879 /nfs/dbraw/zinc/09/68/79/352096879.db2.gz QOKMZCZVQDNOLT-OCAPTIKFSA-N 1 2 191.221 1.098 20 0 ADADLO C[C@@H]1C[C@H](Nc2cccc[nH+]2)CO1 335442005 352098138 /nfs/dbraw/zinc/09/81/38/352098138.db2.gz WXGVOVSVTDPOCY-BDAKNGLRSA-N 1 2 178.235 1.671 20 0 ADADLO C[C@@H]1C[C@@H](Nc2cccc[nH+]2)CO1 335442010 352098213 /nfs/dbraw/zinc/09/82/13/352098213.db2.gz WXGVOVSVTDPOCY-RKDXNWHRSA-N 1 2 178.235 1.671 20 0 ADADLO C[C@H]1C[N@@H+](CC(N)=O)CC2(CCC2)O1 335464565 352099514 /nfs/dbraw/zinc/09/95/14/352099514.db2.gz VUZWJRUIFHROAU-QMMMGPOBSA-N 1 2 198.266 1.165 20 0 ADADLO C[C@H]1C[N@H+](CC(N)=O)CC2(CCC2)O1 335464565 352099511 /nfs/dbraw/zinc/09/95/11/352099511.db2.gz VUZWJRUIFHROAU-QMMMGPOBSA-N 1 2 198.266 1.165 20 0 ADADLO C[C@@H]1C[N@H+](CC(N)=O)CC2(CCC2)O1 335464564 352099663 /nfs/dbraw/zinc/09/96/63/352099663.db2.gz VUZWJRUIFHROAU-MRVPVSSYSA-N 1 2 198.266 1.165 20 0 ADADLO C[C@@H]1C[N@@H+](CC(N)=O)CC2(CCC2)O1 335464564 352099664 /nfs/dbraw/zinc/09/96/64/352099664.db2.gz VUZWJRUIFHROAU-MRVPVSSYSA-N 1 2 198.266 1.165 20 0 ADADLO c1cn(C[C@@H]2CCCOC2)c[nH+]1 335494079 352100380 /nfs/dbraw/zinc/10/03/80/352100380.db2.gz QZQNIXKOYCTFTA-VIFPVBQESA-N 1 2 166.224 1.310 20 0 ADADLO c1cn(C[C@H]2CCCOC2)c[nH+]1 335494078 352100462 /nfs/dbraw/zinc/10/04/62/352100462.db2.gz QZQNIXKOYCTFTA-SECBINFHSA-N 1 2 166.224 1.310 20 0 ADADLO C[C@@H]1CCCC[N@@H+]1Cc1csnn1 335550900 352102790 /nfs/dbraw/zinc/10/27/90/352102790.db2.gz FWYZZCRRILQLTQ-MRVPVSSYSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@@H]1CCCC[N@H+]1Cc1csnn1 335550900 352102792 /nfs/dbraw/zinc/10/27/92/352102792.db2.gz FWYZZCRRILQLTQ-MRVPVSSYSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2csnn2)C1 335556050 352103146 /nfs/dbraw/zinc/10/31/46/352103146.db2.gz JQZLRMGBHSQSDX-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2csnn2)C1 335556050 352103147 /nfs/dbraw/zinc/10/31/47/352103147.db2.gz JQZLRMGBHSQSDX-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@@H]1CCC[N@@H+]1Cc1csnn1 335557697 352103184 /nfs/dbraw/zinc/10/31/84/352103184.db2.gz GYOMKXYZBRZOLV-SSDOTTSWSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@@H]1CCC[N@H+]1Cc1csnn1 335557697 352103187 /nfs/dbraw/zinc/10/31/87/352103187.db2.gz GYOMKXYZBRZOLV-SSDOTTSWSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@@H]1CC[N@H+](Cc2csnn2)C1 335557789 352103369 /nfs/dbraw/zinc/10/33/69/352103369.db2.gz WLAIJJGDTQDGQO-SSDOTTSWSA-N 1 2 183.280 1.380 20 0 ADADLO C[C@@H]1CC[N@@H+](Cc2csnn2)C1 335557789 352103371 /nfs/dbraw/zinc/10/33/71/352103371.db2.gz WLAIJJGDTQDGQO-SSDOTTSWSA-N 1 2 183.280 1.380 20 0 ADADLO c1ccc2c(c1)C[NH+](Cc1cc[nH]n1)C2 335707123 352109980 /nfs/dbraw/zinc/10/99/80/352109980.db2.gz VAWZKPCHTLETON-UHFFFAOYSA-N 1 2 199.257 1.926 20 0 ADADLO C[C@@H]1COCCN(c2cccc[nH+]2)C1 335873188 352116896 /nfs/dbraw/zinc/11/68/96/352116896.db2.gz CCVWZELQKYRJBM-JTQLQIEISA-N 1 2 192.262 1.554 20 0 ADADLO CC(C)c1nc(C[NH+]2CCCC2)no1 335897779 352118112 /nfs/dbraw/zinc/11/81/12/352118112.db2.gz IGJHKJGKJGCPMH-UHFFFAOYSA-N 1 2 195.266 1.789 20 0 ADADLO CNC(=O)Nc1c(C)cc(C)[nH+]c1C 335897847 352118247 /nfs/dbraw/zinc/11/82/47/352118247.db2.gz WWNVSORPBINQGJ-UHFFFAOYSA-N 1 2 193.250 1.758 20 0 ADADLO C[C@@H]1COCC[N@H+](Cc2ccon2)C1 336039307 352123656 /nfs/dbraw/zinc/12/36/56/352123656.db2.gz YXPPCKQEPRPARB-VIFPVBQESA-N 1 2 196.250 1.143 20 0 ADADLO C[C@@H]1COCC[N@@H+](Cc2ccon2)C1 336039307 352123659 /nfs/dbraw/zinc/12/36/59/352123659.db2.gz YXPPCKQEPRPARB-VIFPVBQESA-N 1 2 196.250 1.143 20 0 ADADLO C[C@@H]1OCC[N@H+](Cc2ccno2)[C@H]1C 336086692 352124943 /nfs/dbraw/zinc/12/49/43/352124943.db2.gz OGEBZERMGGHLEG-IUCAKERBSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@@H]1OCC[N@@H+](Cc2ccno2)[C@H]1C 336086692 352124948 /nfs/dbraw/zinc/12/49/48/352124948.db2.gz OGEBZERMGGHLEG-IUCAKERBSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@@H]1OCC[N@H+](Cc2ccno2)[C@@H]1C 336086690 352124986 /nfs/dbraw/zinc/12/49/86/352124986.db2.gz OGEBZERMGGHLEG-BDAKNGLRSA-N 1 2 196.250 1.284 20 0 ADADLO C[C@@H]1OCC[N@@H+](Cc2ccno2)[C@@H]1C 336086690 352124988 /nfs/dbraw/zinc/12/49/88/352124988.db2.gz OGEBZERMGGHLEG-BDAKNGLRSA-N 1 2 196.250 1.284 20 0 ADADLO C[N@H+](Cc1csnn1)C(C)(C)C 336132347 352127109 /nfs/dbraw/zinc/12/71/09/352127109.db2.gz NJOYGAFKXAKFSM-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO C[N@@H+](Cc1csnn1)C(C)(C)C 336132347 352127110 /nfs/dbraw/zinc/12/71/10/352127110.db2.gz NJOYGAFKXAKFSM-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO c1cc(OC[C@H]2CCCOC2)cc[nH+]1 336134025 352127314 /nfs/dbraw/zinc/12/73/14/352127314.db2.gz JKDQREIEUMJEAV-JTQLQIEISA-N 1 2 193.246 1.887 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cn[nH]n2)CC[C@H]1C 336197553 352129174 /nfs/dbraw/zinc/12/91/74/352129174.db2.gz ULRSUIAPBFWZGB-RKDXNWHRSA-N 1 2 194.282 1.283 20 0 ADADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)C[C@@H]1C 336197550 352129196 /nfs/dbraw/zinc/12/91/96/352129196.db2.gz ULRSUIAPBFWZGB-BDAKNGLRSA-N 1 2 194.282 1.283 20 0 ADADLO OC[C@@H]1CC[C@H](Nc2cccc[nH+]2)C1 336198616 352129327 /nfs/dbraw/zinc/12/93/27/352129327.db2.gz JVFVEQGIFLOAOF-ZJUUUORDSA-N 1 2 192.262 1.655 20 0 ADADLO OCc1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 336223135 352129987 /nfs/dbraw/zinc/12/99/87/352129987.db2.gz FMAZRDWSLBQINN-MRVPVSSYSA-N 1 2 199.225 1.316 20 0 ADADLO OCc1ccc(C[N@H+]2CC[C@@H](F)C2)o1 336223135 352129991 /nfs/dbraw/zinc/12/99/91/352129991.db2.gz FMAZRDWSLBQINN-MRVPVSSYSA-N 1 2 199.225 1.316 20 0 ADADLO OCc1ccc(C[N@@H+]2CC[C@H](F)C2)o1 336223136 352130078 /nfs/dbraw/zinc/13/00/78/352130078.db2.gz FMAZRDWSLBQINN-QMMMGPOBSA-N 1 2 199.225 1.316 20 0 ADADLO OCc1ccc(C[N@H+]2CC[C@H](F)C2)o1 336223136 352130082 /nfs/dbraw/zinc/13/00/82/352130082.db2.gz FMAZRDWSLBQINN-QMMMGPOBSA-N 1 2 199.225 1.316 20 0 ADADLO CC(C)=CCNC(=O)c1c[nH+]c(C)[nH]1 336355441 352138764 /nfs/dbraw/zinc/13/87/64/352138764.db2.gz USCMLKVITXAPSH-UHFFFAOYSA-N 1 2 193.250 1.414 20 0 ADADLO OC[C@]1(F)CC[N@H+](Cc2ccco2)C1 336511661 352143520 /nfs/dbraw/zinc/14/35/20/352143520.db2.gz GHIXFKSSOFIXJS-JTQLQIEISA-N 1 2 199.225 1.186 20 0 ADADLO OC[C@]1(F)CC[N@@H+](Cc2ccco2)C1 336511661 352143523 /nfs/dbraw/zinc/14/35/23/352143523.db2.gz GHIXFKSSOFIXJS-JTQLQIEISA-N 1 2 199.225 1.186 20 0 ADADLO OC[C@@]1(F)CC[N@H+](Cc2ccco2)C1 336511662 352143723 /nfs/dbraw/zinc/14/37/23/352143723.db2.gz GHIXFKSSOFIXJS-SNVBAGLBSA-N 1 2 199.225 1.186 20 0 ADADLO OC[C@@]1(F)CC[N@@H+](Cc2ccco2)C1 336511662 352143725 /nfs/dbraw/zinc/14/37/25/352143725.db2.gz GHIXFKSSOFIXJS-SNVBAGLBSA-N 1 2 199.225 1.186 20 0 ADADLO C[C@@H]1C[N@H+](Cc2cc[nH]n2)[C@H](C)CO1 336576161 352149281 /nfs/dbraw/zinc/14/92/81/352149281.db2.gz BVDHJZJYAYYOGK-RKDXNWHRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)[C@H](C)CO1 336576161 352149284 /nfs/dbraw/zinc/14/92/84/352149284.db2.gz BVDHJZJYAYYOGK-RKDXNWHRSA-N 1 2 195.266 1.019 20 0 ADADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@H](C2CC2)O1 336611900 352150469 /nfs/dbraw/zinc/15/04/69/352150469.db2.gz PCRDOYTVHUDYKD-VXNVDRBHSA-N 1 2 198.266 1.021 20 0 ADADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H](C2CC2)O1 336611900 352150471 /nfs/dbraw/zinc/15/04/71/352150471.db2.gz PCRDOYTVHUDYKD-VXNVDRBHSA-N 1 2 198.266 1.021 20 0 ADADLO C[C@@H]1C[N@H+](CC(N)=O)C[C@@H](C2CC2)O1 336611897 352150707 /nfs/dbraw/zinc/15/07/07/352150707.db2.gz PCRDOYTVHUDYKD-APPZFPTMSA-N 1 2 198.266 1.021 20 0 ADADLO C[C@@H]1C[N@@H+](CC(N)=O)C[C@@H](C2CC2)O1 336611897 352150709 /nfs/dbraw/zinc/15/07/09/352150709.db2.gz PCRDOYTVHUDYKD-APPZFPTMSA-N 1 2 198.266 1.021 20 0 ADADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)CCCO1 336619269 352151228 /nfs/dbraw/zinc/15/12/28/352151228.db2.gz CEHSMJXJWFFIPV-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)CCCO1 336619269 352151231 /nfs/dbraw/zinc/15/12/31/352151231.db2.gz CEHSMJXJWFFIPV-SECBINFHSA-N 1 2 195.266 1.021 20 0 ADADLO COC(=O)[C@H]1[NH2+]CC12CCCCC2 521401229 352164004 /nfs/dbraw/zinc/16/40/04/352164004.db2.gz VVYLPAARFYPZPH-MRVPVSSYSA-N 1 2 183.251 1.082 20 0 ADADLO c1ccc(NCC23CC(CO2)C3)[nH+]c1 527532764 352165801 /nfs/dbraw/zinc/16/58/01/352165801.db2.gz KTPIUFYQFOVCSE-UHFFFAOYSA-N 1 2 190.246 1.673 20 0 ADADLO COCCN(C)c1[nH+]cccc1OC 527851616 352171258 /nfs/dbraw/zinc/17/12/58/352171258.db2.gz AKHPMYFKZKXGRN-UHFFFAOYSA-N 1 2 196.250 1.173 20 0 ADADLO COc1ccc[nH+]c1N(C)CC1CC1 527856235 352171561 /nfs/dbraw/zinc/17/15/61/352171561.db2.gz XUEVIQBDMPJQBV-UHFFFAOYSA-N 1 2 192.262 1.936 20 0 ADADLO COc1ccc[nH+]c1N1CC[C@H](C)C1 527876320 352172727 /nfs/dbraw/zinc/17/27/27/352172727.db2.gz RATGEKSFWCRWLY-VIFPVBQESA-N 1 2 192.262 1.936 20 0 ADADLO COc1ccc[nH+]c1N[C@H]1C[C@@H](O)C1 528032632 352175766 /nfs/dbraw/zinc/17/57/66/352175766.db2.gz FLEOAOQKMWGKDC-OCAPTIKFSA-N 1 2 194.234 1.025 20 0 ADADLO C/C(Cl)=C/C[N@@H+](C)Cc1cn[nH]c1 528424627 352177305 /nfs/dbraw/zinc/17/73/05/352177305.db2.gz SYOVTWYVNFEHNI-BAQGIRSFSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C/C[N@H+](C)Cc1cn[nH]c1 528424627 352177310 /nfs/dbraw/zinc/17/73/10/352177310.db2.gz SYOVTWYVNFEHNI-BAQGIRSFSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C/C[N@@H+](C)Cc1cc[nH]n1 528377554 352177562 /nfs/dbraw/zinc/17/75/62/352177562.db2.gz GRKFWQLWLXISBK-YWEYNIOJSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C/C[N@H+](C)Cc1cc[nH]n1 528377554 352177565 /nfs/dbraw/zinc/17/75/65/352177565.db2.gz GRKFWQLWLXISBK-YWEYNIOJSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C\C[N@@H+](C)Cc1cc[nH]n1 528377546 352177761 /nfs/dbraw/zinc/17/77/61/352177761.db2.gz GRKFWQLWLXISBK-XBXARRHUSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C\C[N@H+](C)Cc1cc[nH]n1 528377546 352177764 /nfs/dbraw/zinc/17/77/64/352177764.db2.gz GRKFWQLWLXISBK-XBXARRHUSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C\C[N@@H+](C)Cc1cn[nH]c1 528424628 352178070 /nfs/dbraw/zinc/17/80/70/352178070.db2.gz SYOVTWYVNFEHNI-FPYGCLRLSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C\C[N@H+](C)Cc1cn[nH]c1 528424628 352178071 /nfs/dbraw/zinc/17/80/71/352178071.db2.gz SYOVTWYVNFEHNI-FPYGCLRLSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C/C[N@H+]1CCOC[C@H]1C 528477925 352178305 /nfs/dbraw/zinc/17/83/05/352178305.db2.gz MXBOLWCSDZEQFL-PTDYZRSTSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@H]1C 528477925 352178309 /nfs/dbraw/zinc/17/83/09/352178309.db2.gz MXBOLWCSDZEQFL-PTDYZRSTSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\CN(C)Cc1[nH]cc[nH+]1 528431458 352178727 /nfs/dbraw/zinc/17/87/27/352178727.db2.gz JECARIGEGXKZCN-FPYGCLRLSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C\C[N@H+]1CCOC[C@H]1C 528477927 352179067 /nfs/dbraw/zinc/17/90/67/352179067.db2.gz MXBOLWCSDZEQFL-QZGLAHODSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@H]1C 528477927 352179069 /nfs/dbraw/zinc/17/90/69/352179069.db2.gz MXBOLWCSDZEQFL-QZGLAHODSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C/CN(C)Cc1[nH]cc[nH+]1 528431453 352179088 /nfs/dbraw/zinc/17/90/88/352179088.db2.gz JECARIGEGXKZCN-BAQGIRSFSA-N 1 2 199.685 1.984 20 0 ADADLO C/C(Cl)=C/C[N@@H+]1CCO[C@@H](C)C1 528510544 352179307 /nfs/dbraw/zinc/17/93/07/352179307.db2.gz BOIJHDPOKIVSNQ-CHDHTGKKSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C/C[N@H+]1CCO[C@@H](C)C1 528510544 352179311 /nfs/dbraw/zinc/17/93/11/352179311.db2.gz BOIJHDPOKIVSNQ-CHDHTGKKSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\C[N@@H+]1CCO[C@H](C)C1 528510558 352179400 /nfs/dbraw/zinc/17/94/00/352179400.db2.gz BOIJHDPOKIVSNQ-QZGLAHODSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\C[N@H+]1CCO[C@H](C)C1 528510558 352179403 /nfs/dbraw/zinc/17/94/03/352179403.db2.gz BOIJHDPOKIVSNQ-QZGLAHODSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C/C[N@H+]1CCOC[C@@H]1C 528517145 352179582 /nfs/dbraw/zinc/17/95/82/352179582.db2.gz MXBOLWCSDZEQFL-CHDHTGKKSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C/C[N@@H+]1CCOC[C@@H]1C 528517145 352179586 /nfs/dbraw/zinc/17/95/86/352179586.db2.gz MXBOLWCSDZEQFL-CHDHTGKKSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\C[N@H+]1CCOC[C@@H]1C 528517149 352179835 /nfs/dbraw/zinc/17/98/35/352179835.db2.gz MXBOLWCSDZEQFL-IPQKIJNHSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\C[N@@H+]1CCOC[C@@H]1C 528517149 352179836 /nfs/dbraw/zinc/17/98/36/352179836.db2.gz MXBOLWCSDZEQFL-IPQKIJNHSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\C[N@@H+]1CCO[C@@H](C)C1 528510548 352179744 /nfs/dbraw/zinc/17/97/44/352179744.db2.gz BOIJHDPOKIVSNQ-IPQKIJNHSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C\C[N@H+]1CCO[C@@H](C)C1 528510548 352179745 /nfs/dbraw/zinc/17/97/45/352179745.db2.gz BOIJHDPOKIVSNQ-IPQKIJNHSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C/C[N@@H+]1CCO[C@H](C)C1 528510552 352179796 /nfs/dbraw/zinc/17/97/96/352179796.db2.gz BOIJHDPOKIVSNQ-PTDYZRSTSA-N 1 2 189.686 1.850 20 0 ADADLO C/C(Cl)=C/C[N@H+]1CCO[C@H](C)C1 528510552 352179798 /nfs/dbraw/zinc/17/97/98/352179798.db2.gz BOIJHDPOKIVSNQ-PTDYZRSTSA-N 1 2 189.686 1.850 20 0 ADADLO COC1C[NH+](Cc2ccnc(C)c2)C1 529600297 352183835 /nfs/dbraw/zinc/18/38/35/352183835.db2.gz KECDLLRFUHRSCF-UHFFFAOYSA-N 1 2 192.262 1.221 20 0 ADADLO O=Cc1ccsc1-n1cc[nH+]c1 536952902 352191402 /nfs/dbraw/zinc/19/14/02/352191402.db2.gz IELMWRXBEMVPIT-UHFFFAOYSA-N 1 2 178.216 1.746 20 0 ADADLO CCN(CC)c1nc[nH+]c2c1CCN2 536954238 352191926 /nfs/dbraw/zinc/19/19/26/352191926.db2.gz MBWXARNYHCYXLN-UHFFFAOYSA-N 1 2 192.266 1.291 20 0 ADADLO CCN(CC)c1[nH+]cnc2c1CCN2 536954238 352191929 /nfs/dbraw/zinc/19/19/29/352191929.db2.gz MBWXARNYHCYXLN-UHFFFAOYSA-N 1 2 192.266 1.291 20 0 ADADLO C[C@@H]1C[NH2+]c2ccc(O)cc21 536954343 352192016 /nfs/dbraw/zinc/19/20/16/352192016.db2.gz SPZWVKXSWPDLNA-ZCFIWIBFSA-N 1 2 149.193 1.921 20 0 ADADLO C[C@H]1C[NH2+]c2ccc(O)cc21 536954339 352192062 /nfs/dbraw/zinc/19/20/62/352192062.db2.gz SPZWVKXSWPDLNA-LURJTMIESA-N 1 2 149.193 1.921 20 0 ADADLO C[C@H]1C[NH2+]c2ccc(N)cc21 536954677 352192689 /nfs/dbraw/zinc/19/26/89/352192689.db2.gz XKZZXYQEAYCMIM-LURJTMIESA-N 1 2 148.209 1.798 20 0 ADADLO CC(=O)c1cc(N)cc2[nH+]c[nH]c12 575442273 352205921 /nfs/dbraw/zinc/20/59/21/352205921.db2.gz ORIYYNMWAZGBLW-UHFFFAOYSA-N 1 2 175.191 1.348 20 0 ADADLO Cc1ccc(C)c(C(=[NH2+])NO)n1 575442053 352206051 /nfs/dbraw/zinc/20/60/51/352206051.db2.gz MFFHAWOJKGANTJ-UHFFFAOYSA-N 1 2 165.196 1.003 20 0 ADADLO CO[C@@]1(C)C[C@H]1Nc1cccc[nH+]1 575456982 352232448 /nfs/dbraw/zinc/23/24/48/352232448.db2.gz XVTFDNUBRYFCCI-SCZZXKLOSA-N 1 2 178.235 1.671 20 0 ADADLO Fc1c[nH+]ccc1N[C@@H]1C=CCC1 575464086 352257382 /nfs/dbraw/zinc/25/73/82/352257382.db2.gz ACTJGPPGOHKQJP-MRVPVSSYSA-N 1 2 178.210 1.773 20 0 ADADLO Fc1c[nH+]ccc1N[C@H]1C=CCC1 575464087 352257703 /nfs/dbraw/zinc/25/77/03/352257703.db2.gz ACTJGPPGOHKQJP-QMMMGPOBSA-N 1 2 178.210 1.773 20 0 ADADLO Fc1c[nH+]ccc1N[C@@H]1CCSC1 575469350 352279475 /nfs/dbraw/zinc/27/94/75/352279475.db2.gz VVBNEFHLCJYTQZ-SSDOTTSWSA-N 1 2 198.266 1.560 20 0 ADADLO C[C@@H]1COC[C@H]1Nc1cccc[nH+]1 575485357 352330443 /nfs/dbraw/zinc/33/04/43/352330443.db2.gz NOGDAKOYACOHAM-RKDXNWHRSA-N 1 2 178.235 1.528 20 0 ADADLO C[C@H]1COC[C@H]1Nc1cccc[nH+]1 575485355 352330683 /nfs/dbraw/zinc/33/06/83/352330683.db2.gz NOGDAKOYACOHAM-DTWKUNHWSA-N 1 2 178.235 1.528 20 0 ADADLO C[C@H]1COC[C@@H]1Nc1cccc[nH+]1 575485356 352330748 /nfs/dbraw/zinc/33/07/48/352330748.db2.gz NOGDAKOYACOHAM-IUCAKERBSA-N 1 2 178.235 1.528 20 0 ADADLO C[C@@H]1COC[C@@H]1Nc1cccc[nH+]1 575485353 352330775 /nfs/dbraw/zinc/33/07/75/352330775.db2.gz NOGDAKOYACOHAM-BDAKNGLRSA-N 1 2 178.235 1.528 20 0 ADADLO Cc1cc(N[C@@H]2C=CCC2)nc[nH+]1 575503105 352419838 /nfs/dbraw/zinc/41/98/38/352419838.db2.gz CCFYDHOKRINYFH-SECBINFHSA-N 1 2 175.235 1.916 20 0 ADADLO Cc1cc(N[C@H]2C=CCC2)nc[nH+]1 575503106 352420233 /nfs/dbraw/zinc/42/02/33/352420233.db2.gz CCFYDHOKRINYFH-VIFPVBQESA-N 1 2 175.235 1.916 20 0 ADADLO Cc1nc(N[C@H]2C=CCC2)cc[nH+]1 575503126 352420742 /nfs/dbraw/zinc/42/07/42/352420742.db2.gz CVELRJHOAZMCSG-VIFPVBQESA-N 1 2 175.235 1.916 20 0 ADADLO Cc1nc(N[C@@H]2C=CCC2)cc[nH+]1 575503125 352420995 /nfs/dbraw/zinc/42/09/95/352420995.db2.gz CVELRJHOAZMCSG-SECBINFHSA-N 1 2 175.235 1.916 20 0 ADADLO Cc1c[nH]c(CNc2nccs2)[nH+]1 575504798 352428960 /nfs/dbraw/zinc/42/89/60/352428960.db2.gz OLVQSVHRFPHOKD-UHFFFAOYSA-N 1 2 194.263 1.787 20 0 ADADLO CC(=O)C[N@@H+]1CCC[C@@H](F)C1 575515292 352488043 /nfs/dbraw/zinc/48/80/43/352488043.db2.gz NPUVPHTVRSTVKQ-MRVPVSSYSA-N 1 2 159.204 1.009 20 0 ADADLO CC(=O)C[N@H+]1CCC[C@@H](F)C1 575515292 352488045 /nfs/dbraw/zinc/48/80/45/352488045.db2.gz NPUVPHTVRSTVKQ-MRVPVSSYSA-N 1 2 159.204 1.009 20 0 ADADLO CC(=O)C[N@@H+]1CCC[C@H](F)C1 575515293 352488297 /nfs/dbraw/zinc/48/82/97/352488297.db2.gz NPUVPHTVRSTVKQ-QMMMGPOBSA-N 1 2 159.204 1.009 20 0 ADADLO CC(=O)C[N@H+]1CCC[C@H](F)C1 575515293 352488300 /nfs/dbraw/zinc/48/83/00/352488300.db2.gz NPUVPHTVRSTVKQ-QMMMGPOBSA-N 1 2 159.204 1.009 20 0 ADADLO C[C@@H]1C[C@@H]1CNc1cc[nH+]cc1F 575520042 352510197 /nfs/dbraw/zinc/51/01/97/352510197.db2.gz DAJWHSKEIOTTOV-HTQZYQBOSA-N 1 2 180.226 1.711 20 0 ADADLO C[C@@H]1C[C@H]1CNc1cc[nH+]cc1F 575520044 352510290 /nfs/dbraw/zinc/51/02/90/352510290.db2.gz DAJWHSKEIOTTOV-SFYZADRCSA-N 1 2 180.226 1.711 20 0 ADADLO C[C@H]1C[C@@H]1CNc1cc[nH+]cc1F 575520043 352510378 /nfs/dbraw/zinc/51/03/78/352510378.db2.gz DAJWHSKEIOTTOV-JGVFFNPUSA-N 1 2 180.226 1.711 20 0 ADADLO Fc1c[nH+]ccc1NC1CCC1 575520007 352510413 /nfs/dbraw/zinc/51/04/13/352510413.db2.gz BXJGPLIGFFKNNC-UHFFFAOYSA-N 1 2 166.199 1.607 20 0 ADADLO CC(F)(F)CNc1cc[nH+]cc1F 575520211 352511233 /nfs/dbraw/zinc/51/12/33/352511233.db2.gz HTUVUECRRCFPLC-UHFFFAOYSA-N 1 2 190.168 1.710 20 0 ADADLO CC1(C)C[C@@H]1Nc1cc[nH+]cc1F 575520402 352512078 /nfs/dbraw/zinc/51/20/78/352512078.db2.gz NCBSEJRKIMQFOC-VIFPVBQESA-N 1 2 180.226 1.853 20 0 ADADLO CC1(C)C[C@H]1Nc1cc[nH+]cc1F 575520401 352512098 /nfs/dbraw/zinc/51/20/98/352512098.db2.gz NCBSEJRKIMQFOC-SECBINFHSA-N 1 2 180.226 1.853 20 0 ADADLO Fc1c[nH+]ccc1NCC1CCC1 575520549 352512562 /nfs/dbraw/zinc/51/25/62/352512562.db2.gz QUEZUIVOPAFMRQ-UHFFFAOYSA-N 1 2 180.226 1.855 20 0 ADADLO CC[C@H](C)Nc1cc[nH+]cc1F 575520667 352513016 /nfs/dbraw/zinc/51/30/16/352513016.db2.gz RFEAYJDTTQMAMA-ZETCQYMHSA-N 1 2 168.215 1.853 20 0 ADADLO CC[C@@H](C)Nc1cc[nH+]cc1F 575520666 352513176 /nfs/dbraw/zinc/51/31/76/352513176.db2.gz RFEAYJDTTQMAMA-SSDOTTSWSA-N 1 2 168.215 1.853 20 0 ADADLO C[C@H](Nc1cc[nH+]cc1F)C1CC1 575521212 352515862 /nfs/dbraw/zinc/51/58/62/352515862.db2.gz YJDXYSCNLPXFTO-ZETCQYMHSA-N 1 2 180.226 1.853 20 0 ADADLO C[C@@H](Nc1cc[nH+]cc1F)C1CC1 575521210 352516014 /nfs/dbraw/zinc/51/60/14/352516014.db2.gz YJDXYSCNLPXFTO-SSDOTTSWSA-N 1 2 180.226 1.853 20 0 ADADLO Cc1nc(NC2CSC2)cc[nH+]1 575548789 352632129 /nfs/dbraw/zinc/63/21/29/352632129.db2.gz HAUYSDMTGNTEJW-UHFFFAOYSA-N 1 2 181.264 1.312 20 0 ADADLO Cc1cc(NC2CSC2)nc[nH+]1 575550101 352637263 /nfs/dbraw/zinc/63/72/63/352637263.db2.gz OKWWFMBYDURJQX-UHFFFAOYSA-N 1 2 181.264 1.312 20 0 ADADLO CCc1cc(NC2CSC2)nc[nH+]1 575551687 352643108 /nfs/dbraw/zinc/64/31/08/352643108.db2.gz XXKSVZUHMHPHAO-UHFFFAOYSA-N 1 2 195.291 1.566 20 0 ADADLO CO[C@H]1C[C@H](Nc2cccc[nH+]2)C1 575559614 352673610 /nfs/dbraw/zinc/67/36/10/352673610.db2.gz VNHSGNNQJKWNFB-KYZUINATSA-N 1 2 178.235 1.671 20 0 ADADLO COCc1cc(C)[nH+]c(C)c1 575623924 352867481 /nfs/dbraw/zinc/86/74/81/352867481.db2.gz AJQZEGVULLZLDI-UHFFFAOYSA-N 1 2 151.209 1.845 20 0 ADADLO CC(C)c1nnc(Cn2cc[nH+]c2)o1 590293391 352912806 /nfs/dbraw/zinc/91/28/06/352912806.db2.gz RXBATVCXNVCYQR-UHFFFAOYSA-N 1 2 192.222 1.438 20 0 ADADLO CC(C)OCCC[N@H+](C)CC(F)F 590966630 352915433 /nfs/dbraw/zinc/91/54/33/352915433.db2.gz YUOUCWNIXCYRMD-UHFFFAOYSA-N 1 2 195.253 1.998 20 0 ADADLO CC(C)OCCC[N@@H+](C)CC(F)F 590966630 352915435 /nfs/dbraw/zinc/91/54/35/352915435.db2.gz YUOUCWNIXCYRMD-UHFFFAOYSA-N 1 2 195.253 1.998 20 0 ADADLO c1cn(CCOCC2CC2)c[nH+]1 607725947 352926455 /nfs/dbraw/zinc/92/64/55/352926455.db2.gz OVOJNYLRPXUNAL-UHFFFAOYSA-N 1 2 166.224 1.310 20 0 ADADLO C[N@H+](Cc1nnc(C2CC2)o1)C1CC1 619888161 352933388 /nfs/dbraw/zinc/93/33/88/352933388.db2.gz DJMUDMJQMUXUAW-UHFFFAOYSA-N 1 2 193.250 1.541 20 0 ADADLO C[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 619888161 352933390 /nfs/dbraw/zinc/93/33/90/352933390.db2.gz DJMUDMJQMUXUAW-UHFFFAOYSA-N 1 2 193.250 1.541 20 0 ADADLO c1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)[nH]n1 643801002 353007288 /nfs/dbraw/zinc/00/72/88/353007288.db2.gz PGENWIHIOKYYHD-WDEREUQCSA-N 1 2 191.278 1.688 20 0 ADADLO CCn1cc[nH+]c1[C@@H]1CCC(=O)C1 70738081 371646242 /nfs/dbraw/zinc/64/62/42/371646242.db2.gz LMUUGBHJRXGSLI-MRVPVSSYSA-N 1 2 178.235 1.740 20 0 ADADLO CCn1cc[nH+]c1[C@H]1CCC(=O)C1 70738084 371646316 /nfs/dbraw/zinc/64/63/16/371646316.db2.gz LMUUGBHJRXGSLI-QMMMGPOBSA-N 1 2 178.235 1.740 20 0 ADADLO Cn1cc[nH+]c1[C@@H]1CCC(=O)C1 70738511 371646342 /nfs/dbraw/zinc/64/63/42/371646342.db2.gz BGKFWMRHNPHESE-SSDOTTSWSA-N 1 2 164.208 1.257 20 0 ADADLO c1cc(-c2cn3c([nH+]2)CCC3)ccn1 148258036 371665611 /nfs/dbraw/zinc/66/56/11/371665611.db2.gz MNSPFRNLIXAQNH-UHFFFAOYSA-N 1 2 185.230 1.891 20 0 ADADLO OCc1cc[nH+]c(N2CC=CCC2)c1 166224063 371681434 /nfs/dbraw/zinc/68/14/34/371681434.db2.gz VTAXIBLENTXBKT-UHFFFAOYSA-N 1 2 190.246 1.340 20 0 ADADLO COC1C[NH+](Cc2ccsc2)C1 238856252 371731339 /nfs/dbraw/zinc/73/13/39/371731339.db2.gz JZDHBYDNKZLOKP-UHFFFAOYSA-N 1 2 183.276 1.579 20 0 ADADLO Cc1nc(N(C)CC(C)C)cc[nH+]1 306926541 371767326 /nfs/dbraw/zinc/76/73/26/371767326.db2.gz QGOVCJBDTBEJPS-UHFFFAOYSA-N 1 2 179.267 1.877 20 0 ADADLO Cc1cc(N[C@@H](C)C(C)(C)O)nc[nH+]1 307048373 371771385 /nfs/dbraw/zinc/77/13/85/371771385.db2.gz BXCYXIRCHKUYSU-QMMMGPOBSA-N 1 2 195.266 1.356 20 0 ADADLO CC[C@@H](C)[C@H](C)NCC(F)(F)C[NH3+] 319207659 371786814 /nfs/dbraw/zinc/78/68/14/371786814.db2.gz QYRPMLMCRAPGJR-SFYZADRCSA-N 1 2 194.269 1.605 20 0 ADADLO CC[C@@H](C)[C@@H](C)NCC(F)(F)C[NH3+] 319207655 371787044 /nfs/dbraw/zinc/78/70/44/371787044.db2.gz QYRPMLMCRAPGJR-HTQZYQBOSA-N 1 2 194.269 1.605 20 0 ADADLO CC[C@H](C)[C@@H](C)NCC(F)(F)C[NH3+] 319207657 371787280 /nfs/dbraw/zinc/78/72/80/371787280.db2.gz QYRPMLMCRAPGJR-JGVFFNPUSA-N 1 2 194.269 1.605 20 0 ADADLO CC[C@H](C)[C@H](C)NCC(F)(F)C[NH3+] 319207660 371787821 /nfs/dbraw/zinc/78/78/21/371787821.db2.gz QYRPMLMCRAPGJR-YUMQZZPRSA-N 1 2 194.269 1.605 20 0 ADADLO Cc1occc1C[NH2+]Cc1ccon1 321735127 371791022 /nfs/dbraw/zinc/79/10/22/371791022.db2.gz YLVNVWCBBKKTAQ-UHFFFAOYSA-N 1 2 192.218 1.866 20 0 ADADLO Cc1nc(C[N@H+]2CC[C@H](C)C2)no1 334140442 371798152 /nfs/dbraw/zinc/79/81/52/371798152.db2.gz GHZSNJPHECOYHC-ZETCQYMHSA-N 1 2 181.239 1.220 20 0 ADADLO C[N@H+](Cc1ccon1)[C@H]1CCCOC1 334140864 371797966 /nfs/dbraw/zinc/79/79/66/371797966.db2.gz CDLZOOUXSAUIJH-JTQLQIEISA-N 1 2 196.250 1.285 20 0 ADADLO C[N@@H+](Cc1ccon1)[C@H]1CCCOC1 334140864 371797973 /nfs/dbraw/zinc/79/79/73/371797973.db2.gz CDLZOOUXSAUIJH-JTQLQIEISA-N 1 2 196.250 1.285 20 0 ADADLO Cc1nc(C[N@@H+]2CC[C@H](C)C2)no1 334140442 371798157 /nfs/dbraw/zinc/79/81/57/371798157.db2.gz GHZSNJPHECOYHC-ZETCQYMHSA-N 1 2 181.239 1.220 20 0 ADADLO C[N@H+](Cc1ccon1)[C@@H]1CCCOC1 334140865 371798188 /nfs/dbraw/zinc/79/81/88/371798188.db2.gz CDLZOOUXSAUIJH-SNVBAGLBSA-N 1 2 196.250 1.285 20 0 ADADLO C[N@@H+](Cc1ccon1)[C@@H]1CCCOC1 334140865 371798192 /nfs/dbraw/zinc/79/81/92/371798192.db2.gz CDLZOOUXSAUIJH-SNVBAGLBSA-N 1 2 196.250 1.285 20 0 ADADLO Cc1nc(C[N@H+]2CC[C@@H](C)C2)no1 334140441 371798385 /nfs/dbraw/zinc/79/83/85/371798385.db2.gz GHZSNJPHECOYHC-SSDOTTSWSA-N 1 2 181.239 1.220 20 0 ADADLO Cc1nc(C[N@@H+]2CC[C@@H](C)C2)no1 334140441 371798387 /nfs/dbraw/zinc/79/83/87/371798387.db2.gz GHZSNJPHECOYHC-SSDOTTSWSA-N 1 2 181.239 1.220 20 0 ADADLO COC1(C)CN(c2cc(C)[nH+]cn2)C1 583652251 371834639 /nfs/dbraw/zinc/83/46/39/371834639.db2.gz MKDBKHNOXQQHOF-UHFFFAOYSA-N 1 2 193.250 1.010 20 0 ADADLO CCSCC[N@H+](C)Cc1ncc[nH]1 584908288 371843612 /nfs/dbraw/zinc/84/36/12/371843612.db2.gz JEVXKLHQSIWKRK-UHFFFAOYSA-N 1 2 199.323 1.595 20 0 ADADLO CCSCC[N@@H+](C)Cc1ncc[nH]1 584908288 371843619 /nfs/dbraw/zinc/84/36/19/371843619.db2.gz JEVXKLHQSIWKRK-UHFFFAOYSA-N 1 2 199.323 1.595 20 0 ADADLO CCC[C@H](C)[N@H+](C)Cc1noc(C)n1 613408082 371865984 /nfs/dbraw/zinc/86/59/84/371865984.db2.gz FTEVVMVFLHGOKE-QMMMGPOBSA-N 1 2 197.282 1.998 20 0 ADADLO CCC[C@H](C)[N@@H+](C)Cc1noc(C)n1 613408082 371865994 /nfs/dbraw/zinc/86/59/94/371865994.db2.gz FTEVVMVFLHGOKE-QMMMGPOBSA-N 1 2 197.282 1.998 20 0 ADADLO CCC[C@@H](C)[N@H+](C)Cc1noc(C)n1 613408081 371866056 /nfs/dbraw/zinc/86/60/56/371866056.db2.gz FTEVVMVFLHGOKE-MRVPVSSYSA-N 1 2 197.282 1.998 20 0 ADADLO CCC[C@@H](C)[N@@H+](C)Cc1noc(C)n1 613408081 371866063 /nfs/dbraw/zinc/86/60/63/371866063.db2.gz FTEVVMVFLHGOKE-MRVPVSSYSA-N 1 2 197.282 1.998 20 0 ADADLO CC[N@@H+](Cc1noc(C)n1)CC(C)C 613416405 371866327 /nfs/dbraw/zinc/86/63/27/371866327.db2.gz ICAPIRQTFCVVBY-UHFFFAOYSA-N 1 2 197.282 1.856 20 0 ADADLO CC[N@H+](Cc1noc(C)n1)CC(C)C 613416405 371866335 /nfs/dbraw/zinc/86/63/35/371866335.db2.gz ICAPIRQTFCVVBY-UHFFFAOYSA-N 1 2 197.282 1.856 20 0 ADADLO CC(C)c1nnc(C[N@H+](C)C2CC2)[nH]1 644657138 371894503 /nfs/dbraw/zinc/89/45/03/371894503.db2.gz JHCNRWORPOSUAZ-UHFFFAOYSA-N 1 2 194.282 1.522 20 0 ADADLO CC(C)c1nnc(C[N@@H+](C)C2CC2)[nH]1 644657138 371894511 /nfs/dbraw/zinc/89/45/11/371894511.db2.gz JHCNRWORPOSUAZ-UHFFFAOYSA-N 1 2 194.282 1.522 20 0 ADADLO CC(C)n1cnnc1C[N@H+](C)C(C)C 644786005 371907161 /nfs/dbraw/zinc/90/71/61/371907161.db2.gz PKZQDNBQSDGPKS-UHFFFAOYSA-N 1 2 196.298 1.699 20 0 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RCUPABWRXQGJPA-QMMMGPOBSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@@H](C[N@@H+](C)CC(F)F)C1CC1 644921896 371930855 /nfs/dbraw/zinc/93/08/55/371930855.db2.gz RCUPABWRXQGJPA-QMMMGPOBSA-N 1 2 193.237 1.608 20 0 ADADLO CCOC1CN(c2cc(C)[nH+]cn2)C1 645065265 371941771 /nfs/dbraw/zinc/94/17/71/371941771.db2.gz BNBZUBVNJTYZEH-UHFFFAOYSA-N 1 2 193.250 1.010 20 0 ADADLO CCOC1CN(c2cc[nH+]c(C)n2)C1 645065339 371941919 /nfs/dbraw/zinc/94/19/19/371941919.db2.gz GYJOOGRRQNCTKP-UHFFFAOYSA-N 1 2 193.250 1.010 20 0 ADADLO C[N@H+](CC1=CCCC1)Cc1nnc[nH]1 645813489 371967676 /nfs/dbraw/zinc/96/76/76/371967676.db2.gz VGYMUBJOQKLKFN-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO C[N@@H+](CC1=CCCC1)Cc1nnc[nH]1 645813489 371967682 /nfs/dbraw/zinc/96/76/82/371967682.db2.gz VGYMUBJOQKLKFN-UHFFFAOYSA-N 1 2 192.266 1.347 20 0 ADADLO CC(C)O[C@@H]1CC[N@H+](CC(F)F)C1 645944665 371972388 /nfs/dbraw/zinc/97/23/88/371972388.db2.gz QKXULGANOQVNDE-MRVPVSSYSA-N 1 2 193.237 1.751 20 0 ADADLO CC(C)O[C@@H]1CC[N@@H+](CC(F)F)C1 645944665 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CC[C@H]1C[N@H+](CC(C)=O)[C@@H](C)CO1 403818159 375531389 /nfs/dbraw/zinc/53/13/89/375531389.db2.gz LFJYRZKCQXCNJG-WPRPVWTQSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1C[N@@H+](CC(C)=O)[C@@H](C)CO1 403818159 375531397 /nfs/dbraw/zinc/53/13/97/375531397.db2.gz LFJYRZKCQXCNJG-WPRPVWTQSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1C[N@H+](CC(C)=O)[C@H](C)CO1 403818154 375531603 /nfs/dbraw/zinc/53/16/03/375531603.db2.gz LFJYRZKCQXCNJG-PSASIEDQSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1C[N@@H+](CC(C)=O)[C@H](C)CO1 403818154 375531606 /nfs/dbraw/zinc/53/16/06/375531606.db2.gz LFJYRZKCQXCNJG-PSASIEDQSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1C[N@H+](CC(C)=O)[C@@H](C)CO1 403818158 375531619 /nfs/dbraw/zinc/53/16/19/375531619.db2.gz LFJYRZKCQXCNJG-WCBMZHEXSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@@H]1C[N@@H+](CC(C)=O)[C@@H](C)CO1 403818158 375531622 /nfs/dbraw/zinc/53/16/22/375531622.db2.gz LFJYRZKCQXCNJG-WCBMZHEXSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1C[N@H+](CC(C)=O)[C@H](C)CO1 403818156 375531645 /nfs/dbraw/zinc/53/16/45/375531645.db2.gz LFJYRZKCQXCNJG-SCZZXKLOSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1C[N@@H+](CC(C)=O)[C@H](C)CO1 403818156 375531650 /nfs/dbraw/zinc/53/16/50/375531650.db2.gz LFJYRZKCQXCNJG-SCZZXKLOSA-N 1 2 185.267 1.075 20 0 ADADLO CC[C@H]1C[N@H+](CC(C)=O)[C@@H](CC)CO1 403857509 375532333 /nfs/dbraw/zinc/53/23/33/375532333.db2.gz YISRNFZWERKXLT-QWRGUYRKSA-N 1 2 199.294 1.465 20 0 ADADLO CC[C@H]1C[N@@H+](CC(C)=O)[C@@H](CC)CO1 403857509 375532340 /nfs/dbraw/zinc/53/23/40/375532340.db2.gz YISRNFZWERKXLT-QWRGUYRKSA-N 1 2 199.294 1.465 20 0 ADADLO CC[C@H]1C[N@H+](CC(C)=O)[C@H](CC)CO1 403857507 375532422 /nfs/dbraw/zinc/53/24/22/375532422.db2.gz YISRNFZWERKXLT-MNOVXSKESA-N 1 2 199.294 1.465 20 0 ADADLO CC[C@H]1C[N@@H+](CC(C)=O)[C@H](CC)CO1 403857507 375532426 /nfs/dbraw/zinc/53/24/26/375532426.db2.gz YISRNFZWERKXLT-MNOVXSKESA-N 1 2 199.294 1.465 20 0 ADADLO CC[C@@H]1C[N@H+](CC(C)=O)[C@H](CC)CO1 403857506 375532876 /nfs/dbraw/zinc/53/28/76/375532876.db2.gz YISRNFZWERKXLT-GHMZBOCLSA-N 1 2 199.294 1.465 20 0 ADADLO CC[C@@H]1C[N@@H+](CC(C)=O)[C@H](CC)CO1 403857506 375532879 /nfs/dbraw/zinc/53/28/79/375532879.db2.gz YISRNFZWERKXLT-GHMZBOCLSA-N 1 2 199.294 1.465 20 0 ADADLO CC[C@H]1CO[C@H](CC)C[N@@H+]1CC(C)=O 403857510 375533118 /nfs/dbraw/zinc/53/31/18/375533118.db2.gz YISRNFZWERKXLT-WDEREUQCSA-N 1 2 199.294 1.465 20 0 ADADLO CC[C@H]1CO[C@H](CC)C[N@H+]1CC(C)=O 403857510 375533123 /nfs/dbraw/zinc/53/31/23/375533123.db2.gz YISRNFZWERKXLT-WDEREUQCSA-N 1 2 199.294 1.465 20 0 ADADLO COC(=O)[C@@H]1[NH2+]CC12C(C)(C)C2(C)C 521400180 375542960 /nfs/dbraw/zinc/54/29/60/375542960.db2.gz DPKTVSSPWRSLSC-ZETCQYMHSA-N 1 2 197.278 1.184 20 0 ADADLO COC(=O)[C@@H]1[NH2+]CC12CCC(C)CC2 521400227 375542865 /nfs/dbraw/zinc/54/28/65/375542865.db2.gz GVEHLUMRKWTNFW-YUCVTWSNSA-N 1 2 197.278 1.328 20 0 ADADLO Nc1c[nH]c(-c2ccc(C=O)cc2)[nH+]1 521400223 375542990 /nfs/dbraw/zinc/54/29/90/375542990.db2.gz GTLQYIJONIZFND-UHFFFAOYSA-N 1 2 187.202 1.471 20 0 ADADLO COC(=O)[C@H]1[NH2+]CC12CCC(C)CC2 521400226 375543030 /nfs/dbraw/zinc/54/30/30/375543030.db2.gz GVEHLUMRKWTNFW-INWMGODYSA-N 1 2 197.278 1.328 20 0 ADADLO COC(=O)[C@H]1[NH2+]CC12C(C)(C)C2(C)C 521400179 375543084 /nfs/dbraw/zinc/54/30/84/375543084.db2.gz DPKTVSSPWRSLSC-SSDOTTSWSA-N 1 2 197.278 1.184 20 0 ADADLO Cc1cc(N2C3CCC2CC3)nc[nH+]1 585383777 375558098 /nfs/dbraw/zinc/55/80/98/375558098.db2.gz ODNUSFDKXUFYPS-UHFFFAOYSA-N 1 2 189.262 1.916 20 0 ADADLO Cc1nc(N2C3CCC2CC3)cc[nH+]1 585383288 375558107 /nfs/dbraw/zinc/55/81/07/375558107.db2.gz AMBDRVPZKJSKQZ-UHFFFAOYSA-N 1 2 189.262 1.916 20 0 ADADLO C[N@H+](CC(F)F)CC1CCOCC1 602870770 375566088 /nfs/dbraw/zinc/56/60/88/375566088.db2.gz ZPWLFHUMWAOTLU-UHFFFAOYSA-N 1 2 193.237 1.610 20 0 ADADLO C[N@@H+](CC(F)F)CC1CCOCC1 602870770 375566093 /nfs/dbraw/zinc/56/60/93/375566093.db2.gz ZPWLFHUMWAOTLU-UHFFFAOYSA-N 1 2 193.237 1.610 20 0 ADADLO C[N@H+](CC(F)F)C(C)(C)C 646087632 375574883 /nfs/dbraw/zinc/57/48/83/375574883.db2.gz KXGXXDANBRZKGM-UHFFFAOYSA-N 1 2 151.200 1.982 20 0 ADADLO C[N@@H+](CC(F)F)C(C)(C)C 646087632 375574885 /nfs/dbraw/zinc/57/48/85/375574885.db2.gz KXGXXDANBRZKGM-UHFFFAOYSA-N 1 2 151.200 1.982 20 0 ADADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1[nH]cc[nH+]1 646365838 375588701 /nfs/dbraw/zinc/58/87/01/375588701.db2.gz DCDNGEUTZCVCNR-BWZBUEFSSA-N 1 2 193.250 1.243 20 0 ADADLO C[C@@H](NC(=O)[C@H]1C[C@H]1C)c1[nH]cc[nH+]1 646365839 375588811 /nfs/dbraw/zinc/58/88/11/375588811.db2.gz DCDNGEUTZCVCNR-PRJMDXOYSA-N 1 2 193.250 1.243 20 0 ADADLO CCC(=O)NCc1c[nH+]ccc1OC 647069387 375615855 /nfs/dbraw/zinc/61/58/55/375615855.db2.gz NALZTFXHHYMEHD-UHFFFAOYSA-N 1 2 194.234 1.116 20 0 ADADLO C[C@@H]1C[C@@H]([NH2+]CC(C)(F)F)CO1 647212906 375629866 /nfs/dbraw/zinc/62/98/66/375629866.db2.gz CDJNCGJJZVXSDH-RNFRBKRXSA-N 1 2 179.210 1.409 20 0 ADADLO C[C@H]1C[C@@H]([NH2+]CC(C)(F)F)CO1 647212905 375630042 /nfs/dbraw/zinc/63/00/42/375630042.db2.gz CDJNCGJJZVXSDH-NKWVEPMBSA-N 1 2 179.210 1.409 20 0 ADADLO C[C@H]1C[C@H]([NH2+]CC(C)(F)F)CO1 647212904 375630202 /nfs/dbraw/zinc/63/02/02/375630202.db2.gz CDJNCGJJZVXSDH-BQBZGAKWSA-N 1 2 179.210 1.409 20 0 ADADLO C[C@@H]1C[C@H]([NH2+]CC(C)(F)F)CO1 647212907 375630707 /nfs/dbraw/zinc/63/07/07/375630707.db2.gz CDJNCGJJZVXSDH-RQJHMYQMSA-N 1 2 179.210 1.409 20 0 ADADLO C[C@@H]1CCCC[N@@H+]1CCc1cnn[nH]1 647956753 375680054 /nfs/dbraw/zinc/68/00/54/375680054.db2.gz CTLNTIJMIFKPQP-SECBINFHSA-N 1 2 194.282 1.222 20 0 ADADLO CCc1nc(C[N@H+](C)C(C)(C)C)no1 647908357 375675364 /nfs/dbraw/zinc/67/53/64/375675364.db2.gz VMVLNFNVMSHCSV-UHFFFAOYSA-N 1 2 197.282 1.862 20 0 ADADLO CCc1nc(C[N@@H+](C)C(C)(C)C)no1 647908357 375675368 /nfs/dbraw/zinc/67/53/68/375675368.db2.gz VMVLNFNVMSHCSV-UHFFFAOYSA-N 1 2 197.282 1.862 20 0 ADADLO C[C@H]1CCCC[N@H+]1CCc1cnn[nH]1 647956754 375680314 /nfs/dbraw/zinc/68/03/14/375680314.db2.gz CTLNTIJMIFKPQP-VIFPVBQESA-N 1 2 194.282 1.222 20 0 ADADLO C[C@@H]1CCCC[N@H+]1CCc1cnn[nH]1 647956753 375680058 /nfs/dbraw/zinc/68/00/58/375680058.db2.gz CTLNTIJMIFKPQP-SECBINFHSA-N 1 2 194.282 1.222 20 0 ADADLO CC1CC[NH+](CCc2cnn[nH]2)CC1 647956928 375680090 /nfs/dbraw/zinc/68/00/90/375680090.db2.gz SUZUKERENZKWRY-UHFFFAOYSA-N 1 2 194.282 1.079 20 0 ADADLO C[C@H]1CCC[N@H+](CCc2cnn[nH]2)C1 647956922 375680138 /nfs/dbraw/zinc/68/01/38/375680138.db2.gz SHWVUKAFZACVLV-VIFPVBQESA-N 1 2 194.282 1.079 20 0 ADADLO C[C@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 647956922 375680142 /nfs/dbraw/zinc/68/01/42/375680142.db2.gz SHWVUKAFZACVLV-VIFPVBQESA-N 1 2 194.282 1.079 20 0 ADADLO C[C@@H]1CCC[N@H+](CCc2cnn[nH]2)C1 647956921 375680180 /nfs/dbraw/zinc/68/01/80/375680180.db2.gz SHWVUKAFZACVLV-SECBINFHSA-N 1 2 194.282 1.079 20 0 ADADLO C[C@@H]1CCC[N@@H+](CCc2cnn[nH]2)C1 647956921 375680184 /nfs/dbraw/zinc/68/01/84/375680184.db2.gz SHWVUKAFZACVLV-SECBINFHSA-N 1 2 194.282 1.079 20 0 ADADLO C[C@H]1CCCC[N@@H+]1CCc1cnn[nH]1 647956754 375680312 /nfs/dbraw/zinc/68/03/12/375680312.db2.gz CTLNTIJMIFKPQP-VIFPVBQESA-N 1 2 194.282 1.222 20 0 ADADLO COCC[N@H+](C)Cc1ccncc1F 648356431 375710363 /nfs/dbraw/zinc/71/03/63/375710363.db2.gz LJSFKULTEFRRAJ-UHFFFAOYSA-N 1 2 198.241 1.299 20 0 ADADLO COCC[N@@H+](C)Cc1ccncc1F 648356431 375710369 /nfs/dbraw/zinc/71/03/69/375710369.db2.gz LJSFKULTEFRRAJ-UHFFFAOYSA-N 1 2 198.241 1.299 20 0 ADADLO Cc1cnc(C[NH2+][C@@H](C)CF)s1 648589058 375718914 /nfs/dbraw/zinc/71/89/14/375718914.db2.gz JFWWALISGGNERB-LURJTMIESA-N 1 2 188.271 1.899 20 0 ADADLO Cc1cnc(C[NH2+][C@H](C)CF)s1 648589059 375719128 /nfs/dbraw/zinc/71/91/28/375719128.db2.gz JFWWALISGGNERB-ZCFIWIBFSA-N 1 2 188.271 1.899 20 0 ADADLO CC(C)[N@H+](Cc1cc[nH]n1)C1COC1 648606328 375721795 /nfs/dbraw/zinc/72/17/95/375721795.db2.gz YOWOBYZNVATCFQ-UHFFFAOYSA-N 1 2 195.266 1.019 20 0 ADADLO CC(C)[N@@H+](Cc1cc[nH]n1)C1COC1 648606328 375721804 /nfs/dbraw/zinc/72/18/04/375721804.db2.gz YOWOBYZNVATCFQ-UHFFFAOYSA-N 1 2 195.266 1.019 20 0 ADADLO CC(C)[N@H+](Cc1ccco1)C1COC1 648606320 375721989 /nfs/dbraw/zinc/72/19/89/375721989.db2.gz SKDDFOVPMFXREA-UHFFFAOYSA-N 1 2 195.262 1.889 20 0 ADADLO CC(C)[N@@H+](Cc1ccco1)C1COC1 648606320 375721992 /nfs/dbraw/zinc/72/19/92/375721992.db2.gz SKDDFOVPMFXREA-UHFFFAOYSA-N 1 2 195.262 1.889 20 0 ADADLO c1coc(C[N@H+](C2CC2)C2COC2)c1 648606453 375722093 /nfs/dbraw/zinc/72/20/93/375722093.db2.gz FRLPRYILQDPRKR-UHFFFAOYSA-N 1 2 193.246 1.643 20 0 ADADLO c1coc(C[N@@H+](C2CC2)C2COC2)c1 648606453 375722097 /nfs/dbraw/zinc/72/20/97/375722097.db2.gz FRLPRYILQDPRKR-UHFFFAOYSA-N 1 2 193.246 1.643 20 0 ADADLO CC(C)[N@H+](Cc1cn[nH]c1)C1COC1 648606323 375722126 /nfs/dbraw/zinc/72/21/26/375722126.db2.gz UMJRHMYSFXNVQR-UHFFFAOYSA-N 1 2 195.266 1.019 20 0 ADADLO CC(C)[N@@H+](Cc1cn[nH]c1)C1COC1 648606323 375722129 /nfs/dbraw/zinc/72/21/29/375722129.db2.gz UMJRHMYSFXNVQR-UHFFFAOYSA-N 1 2 195.266 1.019 20 0 ADADLO CC[C@@H](NCc1[nH]cc[nH+]1)C(F)F 648619269 375723050 /nfs/dbraw/zinc/72/30/50/375723050.db2.gz LSCQORAUETUEHK-ZCFIWIBFSA-N 1 2 189.209 1.543 20 0 ADADLO CC[C@H](NCc1[nH]cc[nH+]1)C(F)F 648619268 375723081 /nfs/dbraw/zinc/72/30/81/375723081.db2.gz LSCQORAUETUEHK-LURJTMIESA-N 1 2 189.209 1.543 20 0 ADADLO CC(C)C[N@@H+](CC(F)F)C[C@@H](C)O 648798317 375747935 /nfs/dbraw/zinc/74/79/35/375747935.db2.gz QNLOEXNAWFSMRP-MRVPVSSYSA-N 1 2 195.253 1.590 20 0 ADADLO CC(C)C[N@H+](CC(F)F)C[C@@H](C)O 648798317 375747944 /nfs/dbraw/zinc/74/79/44/375747944.db2.gz QNLOEXNAWFSMRP-MRVPVSSYSA-N 1 2 195.253 1.590 20 0 ADADLO CC(C)C[N@@H+](CC(F)F)C[C@H](C)O 648798318 375748554 /nfs/dbraw/zinc/74/85/54/375748554.db2.gz QNLOEXNAWFSMRP-QMMMGPOBSA-N 1 2 195.253 1.590 20 0 ADADLO CC(C)C[N@H+](CC(F)F)C[C@H](C)O 648798318 375748557 /nfs/dbraw/zinc/74/85/57/375748557.db2.gz QNLOEXNAWFSMRP-QMMMGPOBSA-N 1 2 195.253 1.590 20 0 ADADLO Cn1cccc1C(=O)C[N@H+](C)C1CC1 35252594 409315645 /nfs/dbraw/zinc/31/56/45/409315645.db2.gz HHXBZPSUSSQNRA-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO Cn1cccc1C(=O)C[N@@H+](C)C1CC1 35252594 409315649 /nfs/dbraw/zinc/31/56/49/409315649.db2.gz HHXBZPSUSSQNRA-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO C[C@@H](CC(=O)N1CCC1)n1cc[nH+]c1 651026567 409319814 /nfs/dbraw/zinc/31/98/14/409319814.db2.gz GYLPJNUDJOZICU-VIFPVBQESA-N 1 2 193.250 1.067 20 0 ADADLO C[C@H](CC(=O)N1CCC1)n1cc[nH+]c1 651026563 409319848 /nfs/dbraw/zinc/31/98/48/409319848.db2.gz GYLPJNUDJOZICU-SECBINFHSA-N 1 2 193.250 1.067 20 0 ADADLO C[C@H](CC(=O)NC1CC1)n1cc[nH+]c1 650989207 409320395 /nfs/dbraw/zinc/32/03/95/409320395.db2.gz AMYFNQWQOGJUDW-MRVPVSSYSA-N 1 2 193.250 1.113 20 0 ADADLO C[C@@H](CC(=O)NC1CC1)n1cc[nH+]c1 650989208 409320747 /nfs/dbraw/zinc/32/07/47/409320747.db2.gz AMYFNQWQOGJUDW-QMMMGPOBSA-N 1 2 193.250 1.113 20 0 ADADLO COCCCNc1cccc[nH+]1 36922736 409321971 /nfs/dbraw/zinc/32/19/71/409321971.db2.gz QQJJQNKWLPPNKB-UHFFFAOYSA-N 1 2 166.224 1.530 20 0 ADADLO CCc1nc(N2CC=CC2)cc(C)[nH+]1 651356792 409325615 /nfs/dbraw/zinc/32/56/15/409325615.db2.gz XCKWMQLJYPZXIY-UHFFFAOYSA-N 1 2 189.262 1.724 20 0 ADADLO CCc1cc(N2CC=CC2)nc(C)[nH+]1 651357213 409325891 /nfs/dbraw/zinc/32/58/91/409325891.db2.gz OSKDMGBZMIDTNH-UHFFFAOYSA-N 1 2 189.262 1.724 20 0 ADADLO Cc1nc(N2CC=CC2)c(C)c(C)[nH+]1 651357251 409326484 /nfs/dbraw/zinc/32/64/84/409326484.db2.gz PVFRQUCZKGKELO-UHFFFAOYSA-N 1 2 189.262 1.778 20 0 ADADLO Cc1cc(N2CC=CC2)nc[nH+]1 651357431 409326658 /nfs/dbraw/zinc/32/66/58/409326658.db2.gz XFDAKKBANMPJPZ-UHFFFAOYSA-N 1 2 161.208 1.161 20 0 ADADLO C[C@@H]([NH2+]CC(C)(F)F)c1cn[nH]c1 651351911 409326776 /nfs/dbraw/zinc/32/67/76/409326776.db2.gz BVOQVKMWGKWHEW-ZCFIWIBFSA-N 1 2 189.209 1.716 20 0 ADADLO C[C@H]([NH2+]CC(C)(F)F)c1cn[nH]c1 651351910 409327197 /nfs/dbraw/zinc/32/71/97/409327197.db2.gz BVOQVKMWGKWHEW-LURJTMIESA-N 1 2 189.209 1.716 20 0 ADADLO Cc1nc(N2CC=CC2)cc[nH+]1 651357333 409327466 /nfs/dbraw/zinc/32/74/66/409327466.db2.gz SUWZIQHNELITSJ-UHFFFAOYSA-N 1 2 161.208 1.161 20 0 ADADLO OC[C@@H](CCF)Nc1cccc[nH+]1 651462276 409330582 /nfs/dbraw/zinc/33/05/82/409330582.db2.gz VRUHRGNXOVELSQ-MRVPVSSYSA-N 1 2 184.214 1.214 20 0 ADADLO C[C@H](CCO)N(C)c1cccc[nH+]1 651470230 409330796 /nfs/dbraw/zinc/33/07/96/409330796.db2.gz MOPASTFLNBCTME-SECBINFHSA-N 1 2 180.251 1.289 20 0 ADADLO OC[C@H](CCF)Nc1cccc[nH+]1 651462277 409331136 /nfs/dbraw/zinc/33/11/36/409331136.db2.gz VRUHRGNXOVELSQ-QMMMGPOBSA-N 1 2 184.214 1.214 20 0 ADADLO C[C@@H](CCO)N(C)c1cccc[nH+]1 651470231 409331288 /nfs/dbraw/zinc/33/12/88/409331288.db2.gz MOPASTFLNBCTME-VIFPVBQESA-N 1 2 180.251 1.289 20 0 ADADLO CCC1C[NH+](Cc2nccs2)C1 651610259 409335193 /nfs/dbraw/zinc/33/51/93/409335193.db2.gz YIISUXLMHDXYPA-UHFFFAOYSA-N 1 2 182.292 1.985 20 0 ADADLO CCCN(CC)c1cc(CO)cc[nH+]1 40877298 409345331 /nfs/dbraw/zinc/34/53/31/409345331.db2.gz VGFNUGFDIDTFDV-UHFFFAOYSA-N 1 2 194.278 1.810 20 0 ADADLO CC(C)CN(C)c1cc(CO)cc[nH+]1 40877545 409345970 /nfs/dbraw/zinc/34/59/70/409345970.db2.gz DJPKVOSDMWYVJR-UHFFFAOYSA-N 1 2 194.278 1.666 20 0 ADADLO C[C@H]1CCCN1c1cc(CO)cc[nH+]1 40863750 409346932 /nfs/dbraw/zinc/34/69/32/409346932.db2.gz LWSGTKYYEFGQEA-VIFPVBQESA-N 1 2 192.262 1.563 20 0 ADADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](F)C1 652076537 409346968 /nfs/dbraw/zinc/34/69/68/409346968.db2.gz JLWLTYSTIJHEFI-SECBINFHSA-N 1 2 197.257 1.652 20 0 ADADLO Cc1c[nH]nc1C[N@H+]1CCC[C@@H](F)C1 652076537 409346972 /nfs/dbraw/zinc/34/69/72/409346972.db2.gz JLWLTYSTIJHEFI-SECBINFHSA-N 1 2 197.257 1.652 20 0 ADADLO CN(CC1CC1)c1cc(CO)cc[nH+]1 40879228 409347008 /nfs/dbraw/zinc/34/70/08/409347008.db2.gz VNUMVMBIZCKSJG-UHFFFAOYSA-N 1 2 192.262 1.420 20 0 ADADLO C[C@@H]1CCCN1c1cc(CO)cc[nH+]1 40863748 409347171 /nfs/dbraw/zinc/34/71/71/409347171.db2.gz LWSGTKYYEFGQEA-SECBINFHSA-N 1 2 192.262 1.563 20 0 ADADLO CCCCN(C)c1cc(CO)cc[nH+]1 40864325 409347191 /nfs/dbraw/zinc/34/71/91/409347191.db2.gz QZGDYVKMQKSOIV-UHFFFAOYSA-N 1 2 194.278 1.810 20 0 ADADLO Cc1c[nH]nc1C[N@@H+]1CCC[C@H](F)C1 652076538 409348051 /nfs/dbraw/zinc/34/80/51/409348051.db2.gz JLWLTYSTIJHEFI-VIFPVBQESA-N 1 2 197.257 1.652 20 0 ADADLO Cc1c[nH]nc1C[N@H+]1CCC[C@H](F)C1 652076538 409348056 /nfs/dbraw/zinc/34/80/56/409348056.db2.gz JLWLTYSTIJHEFI-VIFPVBQESA-N 1 2 197.257 1.652 20 0 ADADLO F[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 652077919 409349423 /nfs/dbraw/zinc/34/94/23/409349423.db2.gz XSMTVRMXDXAIQB-MRVPVSSYSA-N 1 2 183.230 1.344 20 0 ADADLO F[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 652077919 409349427 /nfs/dbraw/zinc/34/94/27/409349427.db2.gz XSMTVRMXDXAIQB-MRVPVSSYSA-N 1 2 183.230 1.344 20 0 ADADLO F[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 652077920 409349507 /nfs/dbraw/zinc/34/95/07/409349507.db2.gz XSMTVRMXDXAIQB-QMMMGPOBSA-N 1 2 183.230 1.344 20 0 ADADLO F[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 652077920 409349511 /nfs/dbraw/zinc/34/95/11/409349511.db2.gz XSMTVRMXDXAIQB-QMMMGPOBSA-N 1 2 183.230 1.344 20 0 ADADLO Cn1cc(C[N@@H+]2CCC[C@@H](F)C2)cn1 652080059 409349760 /nfs/dbraw/zinc/34/97/60/409349760.db2.gz XUFPHGJCPHSUEH-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc(C[N@H+]2CCC[C@@H](F)C2)cn1 652080059 409349766 /nfs/dbraw/zinc/34/97/66/409349766.db2.gz XUFPHGJCPHSUEH-SNVBAGLBSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(C[N@@H+]2CCC[C@H](F)C2)n1 652077763 409349780 /nfs/dbraw/zinc/34/97/80/409349780.db2.gz PUNNKIMSNGMNGD-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(C[N@H+]2CCC[C@H](F)C2)n1 652077763 409349786 /nfs/dbraw/zinc/34/97/86/409349786.db2.gz PUNNKIMSNGMNGD-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1nccc1C[N@@H+]1CCC[C@@H](F)C1 652077858 409349852 /nfs/dbraw/zinc/34/98/52/409349852.db2.gz VHJAJXOEVDSCKT-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1nccc1C[N@H+]1CCC[C@@H](F)C1 652077858 409349857 /nfs/dbraw/zinc/34/98/57/409349857.db2.gz VHJAJXOEVDSCKT-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc(C[N@@H+]2CCC[C@H](F)C2)cn1 652080058 409350144 /nfs/dbraw/zinc/35/01/44/409350144.db2.gz XUFPHGJCPHSUEH-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc(C[N@H+]2CCC[C@H](F)C2)cn1 652080058 409350148 /nfs/dbraw/zinc/35/01/48/409350148.db2.gz XUFPHGJCPHSUEH-JTQLQIEISA-N 1 2 197.257 1.354 20 0 ADADLO Cn1nccc1C[N@@H+]1CCC[C@H](F)C1 652077859 409350209 /nfs/dbraw/zinc/35/02/09/409350209.db2.gz VHJAJXOEVDSCKT-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1nccc1C[N@H+]1CCC[C@H](F)C1 652077859 409350212 /nfs/dbraw/zinc/35/02/12/409350212.db2.gz VHJAJXOEVDSCKT-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cncc1C[N@@H+]1CCC[C@@H](F)C1 652077714 409350371 /nfs/dbraw/zinc/35/03/71/409350371.db2.gz OISOKMUIOXTENA-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cncc1C[N@H+]1CCC[C@@H](F)C1 652077714 409350378 /nfs/dbraw/zinc/35/03/78/409350378.db2.gz OISOKMUIOXTENA-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1c[nH+]cc1CN1CCC[C@@H](F)C1 652077714 409350380 /nfs/dbraw/zinc/35/03/80/409350380.db2.gz OISOKMUIOXTENA-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cncc1C[N@@H+]1CCC[C@H](F)C1 652077715 409350498 /nfs/dbraw/zinc/35/04/98/409350498.db2.gz OISOKMUIOXTENA-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cncc1C[N@H+]1CCC[C@H](F)C1 652077715 409350502 /nfs/dbraw/zinc/35/05/02/409350502.db2.gz OISOKMUIOXTENA-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1c[nH+]cc1CN1CCC[C@H](F)C1 652077715 409350506 /nfs/dbraw/zinc/35/05/06/409350506.db2.gz OISOKMUIOXTENA-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO Cn1cc[nH+]c1CN1CCC[C@H](F)C1 652077697 409350538 /nfs/dbraw/zinc/35/05/38/409350538.db2.gz NSPGONGNHBTGHC-VIFPVBQESA-N 1 2 197.257 1.354 20 0 ADADLO F[C@@H]1CCC[N@H+](Cc2cn[nH]c2)C1 652077392 409350550 /nfs/dbraw/zinc/35/05/50/409350550.db2.gz CDMOXNAVEZLRFD-SECBINFHSA-N 1 2 183.230 1.344 20 0 ADADLO F[C@@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 652077392 409350557 /nfs/dbraw/zinc/35/05/57/409350557.db2.gz CDMOXNAVEZLRFD-SECBINFHSA-N 1 2 183.230 1.344 20 0 ADADLO Cn1cc[nH+]c1CN1CCC[C@@H](F)C1 652077696 409350597 /nfs/dbraw/zinc/35/05/97/409350597.db2.gz NSPGONGNHBTGHC-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(C[N@@H+]2CCC[C@@H](F)C2)n1 652077762 409350797 /nfs/dbraw/zinc/35/07/97/409350797.db2.gz PUNNKIMSNGMNGD-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO Cn1ccc(C[N@H+]2CCC[C@@H](F)C2)n1 652077762 409350804 /nfs/dbraw/zinc/35/08/04/409350804.db2.gz PUNNKIMSNGMNGD-SECBINFHSA-N 1 2 197.257 1.354 20 0 ADADLO F[C@H]1CCC[N@H+](Cc2cn[nH]c2)C1 652077393 409351063 /nfs/dbraw/zinc/35/10/63/409351063.db2.gz CDMOXNAVEZLRFD-VIFPVBQESA-N 1 2 183.230 1.344 20 0 ADADLO F[C@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 652077393 409351066 /nfs/dbraw/zinc/35/10/66/409351066.db2.gz CDMOXNAVEZLRFD-VIFPVBQESA-N 1 2 183.230 1.344 20 0 ADADLO CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 652409498 409354416 /nfs/dbraw/zinc/35/44/16/409354416.db2.gz GMLCIZSEDFHNDK-UHFFFAOYSA-N 1 2 181.239 1.171 20 0 ADADLO CC(C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 652410256 409355481 /nfs/dbraw/zinc/35/54/81/409355481.db2.gz QTAOPVJJQKJBRI-UHFFFAOYSA-N 1 2 195.266 1.417 20 0 ADADLO CC(C)(NC(=O)C1CC1)c1[nH]cc[nH+]1 652409441 409354783 /nfs/dbraw/zinc/35/47/83/409354783.db2.gz ASZLCQOWCFGGQA-UHFFFAOYSA-N 1 2 193.250 1.171 20 0 ADADLO CCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 652409625 409355091 /nfs/dbraw/zinc/35/50/91/409355091.db2.gz XGSMOJYAAOHPCM-UHFFFAOYSA-N 1 2 195.266 1.561 20 0 ADADLO CCOC[C@@H](C)[NH2+]CC(F)F 44723486 409359006 /nfs/dbraw/zinc/35/90/06/409359006.db2.gz ZZISXTDQCQFSMJ-ZCFIWIBFSA-N 1 2 167.199 1.266 20 0 ADADLO CC(=O)C[N@@H+](C)Cc1cccnc1 48014688 409369927 /nfs/dbraw/zinc/36/99/27/409369927.db2.gz LCVLLVZITLSCRO-UHFFFAOYSA-N 1 2 178.235 1.102 20 0 ADADLO CC(=O)C[N@H+](C)Cc1cccnc1 48014688 409369931 /nfs/dbraw/zinc/36/99/31/409369931.db2.gz LCVLLVZITLSCRO-UHFFFAOYSA-N 1 2 178.235 1.102 20 0 ADADLO OCC[N@H+](Cc1cscn1)C1CC1 48446464 409370350 /nfs/dbraw/zinc/37/03/50/409370350.db2.gz IHGWVLOQKLRJRL-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO OCC[N@@H+](Cc1cscn1)C1CC1 48446464 409370355 /nfs/dbraw/zinc/37/03/55/409370355.db2.gz IHGWVLOQKLRJRL-UHFFFAOYSA-N 1 2 198.291 1.100 20 0 ADADLO CC(=O)c1cc(C[N@@H+](C)C2CC2)on1 653496298 409371907 /nfs/dbraw/zinc/37/19/07/409371907.db2.gz MVZKDSLRGIMKNR-UHFFFAOYSA-N 1 2 194.234 1.471 20 0 ADADLO CC(=O)c1cc(C[N@H+](C)C2CC2)on1 653496298 409371913 /nfs/dbraw/zinc/37/19/13/409371913.db2.gz MVZKDSLRGIMKNR-UHFFFAOYSA-N 1 2 194.234 1.471 20 0 ADADLO CC[N@H+](CCO)Cc1nc(C)c(C)o1 49572763 409374432 /nfs/dbraw/zinc/37/44/32/409374432.db2.gz QFMVYCSXQODYAK-UHFFFAOYSA-N 1 2 198.266 1.106 20 0 ADADLO CC[N@@H+](CCO)Cc1nc(C)c(C)o1 49572763 409374440 /nfs/dbraw/zinc/37/44/40/409374440.db2.gz QFMVYCSXQODYAK-UHFFFAOYSA-N 1 2 198.266 1.106 20 0 ADADLO CC(=O)C[N@H+](C)Cc1ccoc1C 50154184 409375983 /nfs/dbraw/zinc/37/59/83/409375983.db2.gz RNDOMJJEUMJNFJ-UHFFFAOYSA-N 1 2 181.235 1.609 20 0 ADADLO CC(=O)C[N@@H+](C)Cc1ccoc1C 50154184 409375977 /nfs/dbraw/zinc/37/59/77/409375977.db2.gz RNDOMJJEUMJNFJ-UHFFFAOYSA-N 1 2 181.235 1.609 20 0 ADADLO CCC[N@H+](Cc1noc(C)n1)C(C)C 653797176 409379447 /nfs/dbraw/zinc/37/94/47/409379447.db2.gz RCIGBCCKDVBGRT-UHFFFAOYSA-N 1 2 197.282 1.998 20 0 ADADLO CCC[N@@H+](Cc1noc(C)n1)C(C)C 653797176 409379454 /nfs/dbraw/zinc/37/94/54/409379454.db2.gz RCIGBCCKDVBGRT-UHFFFAOYSA-N 1 2 197.282 1.998 20 0 ADADLO OCC[NH+]1Cc2cc(F)c(F)cc2C1 653833738 409380213 /nfs/dbraw/zinc/38/02/13/409380213.db2.gz SNKUOPLXTRBAJJ-UHFFFAOYSA-N 1 2 199.200 1.273 20 0 ADADLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)C(C)C 653798984 409380567 /nfs/dbraw/zinc/38/05/67/409380567.db2.gz YPOLKFNLUAAEAH-UHFFFAOYSA-N 1 2 198.270 1.131 20 0 ADADLO Cc1noc(C[N@H+](C)CCCF)n1 653889815 409381731 /nfs/dbraw/zinc/38/17/31/409381731.db2.gz NQDQNUIPGCQCMV-UHFFFAOYSA-N 1 2 187.218 1.169 20 0 ADADLO Cc1noc(C[N@@H+](C)CCCF)n1 653889815 409381738 /nfs/dbraw/zinc/38/17/38/409381738.db2.gz NQDQNUIPGCQCMV-UHFFFAOYSA-N 1 2 187.218 1.169 20 0 ADADLO CC(C)=CC[N@@H+](C)Cc1nc(C)no1 653888860 409383476 /nfs/dbraw/zinc/38/34/76/409383476.db2.gz IWSVNAKIRWWITJ-UHFFFAOYSA-N 1 2 195.266 1.776 20 0 ADADLO CC(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 654365006 409387038 /nfs/dbraw/zinc/38/70/38/409387038.db2.gz PNLPNMIZRWSZLE-QMMMGPOBSA-N 1 2 195.266 1.113 20 0 ADADLO CC(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 654365006 409387048 /nfs/dbraw/zinc/38/70/48/409387048.db2.gz PNLPNMIZRWSZLE-QMMMGPOBSA-N 1 2 195.266 1.113 20 0 ADADLO CC(C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 654365005 409388216 /nfs/dbraw/zinc/38/82/16/409388216.db2.gz PNLPNMIZRWSZLE-MRVPVSSYSA-N 1 2 195.266 1.113 20 0 ADADLO CC(C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 654365005 409388220 /nfs/dbraw/zinc/38/82/20/409388220.db2.gz PNLPNMIZRWSZLE-MRVPVSSYSA-N 1 2 195.266 1.113 20 0 ADADLO CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 654376320 409389904 /nfs/dbraw/zinc/38/99/04/409389904.db2.gz KYILMOWMYHAIAU-MRVPVSSYSA-N 1 2 195.266 1.115 20 0 ADADLO CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 654376320 409389909 /nfs/dbraw/zinc/38/99/09/409389909.db2.gz KYILMOWMYHAIAU-MRVPVSSYSA-N 1 2 195.266 1.115 20 0 ADADLO CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 654376324 409390288 /nfs/dbraw/zinc/39/02/88/409390288.db2.gz KYILMOWMYHAIAU-QMMMGPOBSA-N 1 2 195.266 1.115 20 0 ADADLO CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 654376324 409390295 /nfs/dbraw/zinc/39/02/95/409390295.db2.gz KYILMOWMYHAIAU-QMMMGPOBSA-N 1 2 195.266 1.115 20 0 ADADLO CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 654470368 409391409 /nfs/dbraw/zinc/39/14/09/409391409.db2.gz XRIJYSHJTLDLCX-MRVPVSSYSA-N 1 2 195.266 1.067 20 0 ADADLO CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 654470368 409391413 /nfs/dbraw/zinc/39/14/13/409391413.db2.gz XRIJYSHJTLDLCX-MRVPVSSYSA-N 1 2 195.266 1.067 20 0 ADADLO CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 654470369 409391468 /nfs/dbraw/zinc/39/14/68/409391468.db2.gz XRIJYSHJTLDLCX-QMMMGPOBSA-N 1 2 195.266 1.067 20 0 ADADLO CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 654470369 409391475 /nfs/dbraw/zinc/39/14/75/409391475.db2.gz XRIJYSHJTLDLCX-QMMMGPOBSA-N 1 2 195.266 1.067 20 0 ADADLO CCOCC[N@H+](C)Cc1cc(C)on1 58345048 409395310 /nfs/dbraw/zinc/39/53/10/409395310.db2.gz MKBIFOCDQGWYEF-UHFFFAOYSA-N 1 2 198.266 1.451 20 0 ADADLO CCOCC[N@@H+](C)Cc1cc(C)on1 58345048 409395315 /nfs/dbraw/zinc/39/53/15/409395315.db2.gz MKBIFOCDQGWYEF-UHFFFAOYSA-N 1 2 198.266 1.451 20 0 ADADLO Cc1cnn(Cc2ccc(C)[nH+]c2)c1 655669942 409413269 /nfs/dbraw/zinc/41/32/69/409413269.db2.gz SAIYTJUKXZVWPD-UHFFFAOYSA-N 1 2 187.246 1.943 20 0 ADADLO CCc1cnn(Cc2c[nH+]cn2C)c1 655689040 409416645 /nfs/dbraw/zinc/41/66/45/409416645.db2.gz SDTXAYZAOALDML-UHFFFAOYSA-N 1 2 190.250 1.227 20 0 ADADLO Cc1cc(-n2ccnc2)nc(C)[nH+]1 70162628 409419238 /nfs/dbraw/zinc/41/92/38/409419238.db2.gz UWYUOGFOQYJYKU-UHFFFAOYSA-N 1 2 174.207 1.279 20 0 ADADLO CC(C)(C)C(=O)NCCn1cc[nH+]c1 70225427 409421239 /nfs/dbraw/zinc/42/12/39/409421239.db2.gz RYJIQBHRKKCHJY-UHFFFAOYSA-N 1 2 195.266 1.045 20 0 ADADLO CCCC(=O)N(C)Cc1[nH+]ccn1C 70224815 409421883 /nfs/dbraw/zinc/42/18/83/409421883.db2.gz TZZOAIFADZACQL-UHFFFAOYSA-N 1 2 195.266 1.179 20 0 ADADLO CCCC(=O)N[C@H](C)Cn1cc[nH+]c1 70226693 409425606 /nfs/dbraw/zinc/42/56/06/409425606.db2.gz UPYDJSORGONVRK-SECBINFHSA-N 1 2 195.266 1.188 20 0 ADADLO CCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 70226692 409425861 /nfs/dbraw/zinc/42/58/61/409425861.db2.gz UPYDJSORGONVRK-VIFPVBQESA-N 1 2 195.266 1.188 20 0 ADADLO CCCCC(=O)NCCn1cc[nH+]c1 656494970 409437792 /nfs/dbraw/zinc/43/77/92/409437792.db2.gz ARKLCHPSADQVGT-UHFFFAOYSA-N 1 2 195.266 1.190 20 0 ADADLO CCOC1C[NH+](Cc2occc2C)C1 656657862 409444325 /nfs/dbraw/zinc/44/43/25/409444325.db2.gz BKFCCGMANRJTOX-UHFFFAOYSA-N 1 2 195.262 1.809 20 0 ADADLO CCOC1C[NH+](Cc2ccsc2)C1 656657749 409444429 /nfs/dbraw/zinc/44/44/29/409444429.db2.gz SHRPDPRWUZBTJJ-UHFFFAOYSA-N 1 2 197.303 1.969 20 0 ADADLO CCOC1C[NH+](Cc2ccccn2)C1 656657763 409444548 /nfs/dbraw/zinc/44/45/48/409444548.db2.gz WLKUGFGJMFCJIA-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO CCOC1C[NH+](Cc2ccc(C)o2)C1 656657719 409444666 /nfs/dbraw/zinc/44/46/66/409444666.db2.gz AZTBNWSWWKFWPF-UHFFFAOYSA-N 1 2 195.262 1.809 20 0 ADADLO CCOC1C[NH+](Cc2cccnc2)C1 656657750 409444738 /nfs/dbraw/zinc/44/47/38/409444738.db2.gz SUBHZAZTVPOTER-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO CCOC1C[NH+](Cc2cccn2C)C1 656657743 409445089 /nfs/dbraw/zinc/44/50/89/409445089.db2.gz OAQWZWNVGIIKIN-UHFFFAOYSA-N 1 2 194.278 1.246 20 0 ADADLO CCOC1C[NH+](Cc2cccs2)C1 656657734 409445303 /nfs/dbraw/zinc/44/53/03/409445303.db2.gz JRTBKWKVVOUIMA-UHFFFAOYSA-N 1 2 197.303 1.969 20 0 ADADLO CCOC1C[NH+](Cc2ccn(C)c2)C1 656657924 409445343 /nfs/dbraw/zinc/44/53/43/409445343.db2.gz NZKMXKDQEJJGIY-UHFFFAOYSA-N 1 2 194.278 1.246 20 0 ADADLO CCOC1C[NH+](Cc2ccncc2)C1 656657748 409445357 /nfs/dbraw/zinc/44/53/57/409445357.db2.gz SBMLRQOIBGKBHD-UHFFFAOYSA-N 1 2 192.262 1.302 20 0 ADADLO CCOC1C[NH+](Cc2ccco2)C1 656657729 409445453 /nfs/dbraw/zinc/44/54/53/409445453.db2.gz GRIHOHDEGQWRPL-UHFFFAOYSA-N 1 2 181.235 1.500 20 0 ADADLO Cc1noc(Cc2c[nH+]ccc2C)n1 656749346 409449225 /nfs/dbraw/zinc/44/92/25/409449225.db2.gz KXFHKYNDBMEJGA-UHFFFAOYSA-N 1 2 189.218 1.672 20 0 ADADLO CC1(C[NH+]2CC(OC(F)F)C2)CC1 656771516 409449874 /nfs/dbraw/zinc/44/98/74/409449874.db2.gz KTZYIEVKBBLKMS-UHFFFAOYSA-N 1 2 191.221 1.710 20 0 ADADLO CCC1(C)C[NH+](Cc2ccn(C)n2)C1 656799351 409451981 /nfs/dbraw/zinc/45/19/81/409451981.db2.gz JKIJNUQJQWUXBP-UHFFFAOYSA-N 1 2 193.294 1.652 20 0 ADADLO CCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 657004487 409453903 /nfs/dbraw/zinc/45/39/03/409453903.db2.gz RRSRMJUPQDDZGO-YUMQZZPRSA-N 1 2 193.250 1.415 20 0 ADADLO CCC(=O)N[C@@H](C)c1[nH+]ccn1CC 657004622 409454045 /nfs/dbraw/zinc/45/40/45/409454045.db2.gz ZNBQAZCIMPSMMF-QMMMGPOBSA-N 1 2 195.266 1.490 20 0 ADADLO CCC(=O)N[C@H](C)c1[nH+]ccn1CC 657004621 409454189 /nfs/dbraw/zinc/45/41/89/409454189.db2.gz ZNBQAZCIMPSMMF-MRVPVSSYSA-N 1 2 195.266 1.490 20 0 ADADLO CCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 657004482 409454223 /nfs/dbraw/zinc/45/42/23/409454223.db2.gz RRSRMJUPQDDZGO-JGVFFNPUSA-N 1 2 193.250 1.415 20 0 ADADLO CCO[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)C1 656872945 409454373 /nfs/dbraw/zinc/45/43/73/409454373.db2.gz OEQKFVIJOAROQF-AOOOYVTPSA-N 1 2 195.266 1.067 20 0 ADADLO CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 657004520 409454428 /nfs/dbraw/zinc/45/44/28/409454428.db2.gz SOQQHDZUAODSPP-SVRRBLITSA-N 1 2 179.223 1.025 20 0 ADADLO CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 657004515 409454453 /nfs/dbraw/zinc/45/44/53/409454453.db2.gz SOQQHDZUAODSPP-HTRCEHHLSA-N 1 2 179.223 1.025 20 0 ADADLO CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 657004521 409454489 /nfs/dbraw/zinc/45/44/89/409454489.db2.gz SOQQHDZUAODSPP-XPUUQOCRSA-N 1 2 179.223 1.025 20 0 ADADLO CCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 657004480 409454567 /nfs/dbraw/zinc/45/45/67/409454567.db2.gz RRSRMJUPQDDZGO-HTQZYQBOSA-N 1 2 193.250 1.415 20 0 ADADLO CCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 657004485 409454653 /nfs/dbraw/zinc/45/46/53/409454653.db2.gz RRSRMJUPQDDZGO-SFYZADRCSA-N 1 2 193.250 1.415 20 0 ADADLO CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 657004519 409454791 /nfs/dbraw/zinc/45/47/91/409454791.db2.gz SOQQHDZUAODSPP-POYBYMJQSA-N 1 2 179.223 1.025 20 0 ADADLO CC(=O)NCc1cc(C)[nH+]c(C)c1 657017535 409456372 /nfs/dbraw/zinc/45/63/72/409456372.db2.gz WLRIWFYCRIRLQQ-UHFFFAOYSA-N 1 2 178.235 1.335 20 0 ADADLO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccn[nH]1 657244957 409460598 /nfs/dbraw/zinc/46/05/98/409460598.db2.gz LQUPWLIAZCNCMY-ZJUUUORDSA-N 1 2 195.266 1.067 20 0 ADADLO C1=CCC(COCc2[nH]cc[nH+]2)C1 657255610 409462324 /nfs/dbraw/zinc/46/23/24/409462324.db2.gz MHCIBCLGHHRLBC-UHFFFAOYSA-N 1 2 178.235 1.893 20 0 ADADLO Cc1nocc1COCc1[nH]cc[nH+]1 657254895 409462371 /nfs/dbraw/zinc/46/23/71/409462371.db2.gz FGDHLSOMLGEQGB-UHFFFAOYSA-N 1 2 193.206 1.423 20 0 ADADLO Cc1cc(Cn2cc[nH+]c2)nc(C)n1 657254808 409462452 /nfs/dbraw/zinc/46/24/52/409462452.db2.gz DATBFUKNFJNOEJ-UHFFFAOYSA-N 1 2 188.234 1.338 20 0 ADADLO c1cn(Cc2cc(C3CC3)no2)c[nH+]1 657254946 409462808 /nfs/dbraw/zinc/46/28/08/409462808.db2.gz FSNNKJYNWBFQOK-UHFFFAOYSA-N 1 2 189.218 1.797 20 0 ADADLO Cc1nocc1Cn1cc[nH+]c1 657255060 409462985 /nfs/dbraw/zinc/46/29/85/409462985.db2.gz HPYACGRUPGENHA-UHFFFAOYSA-N 1 2 163.180 1.228 20 0 ADADLO CC[N@@H+]1CCCC(F)(F)C1 114390067 409463614 /nfs/dbraw/zinc/46/36/14/409463614.db2.gz JFSLPTVHEGDEMD-UHFFFAOYSA-N 1 2 149.184 1.737 20 0 ADADLO CC[N@H+]1CCCC(F)(F)C1 114390067 409463620 /nfs/dbraw/zinc/46/36/20/409463620.db2.gz JFSLPTVHEGDEMD-UHFFFAOYSA-N 1 2 149.184 1.737 20 0 ADADLO CO[C@H]1CCN(c2cc[nH+]cc2F)C1 113556101 409463788 /nfs/dbraw/zinc/46/37/88/409463788.db2.gz UIHWTDGFNFXNHL-QMMMGPOBSA-N 1 2 196.225 1.446 20 0 ADADLO CC(C)[C@@H](O)C[N@H+](C)CC(F)F 122795881 409467125 /nfs/dbraw/zinc/46/71/25/409467125.db2.gz YPGDDVSPLRQNCR-ZETCQYMHSA-N 1 2 181.226 1.200 20 0 ADADLO CC(C)[C@@H](O)C[N@@H+](C)CC(F)F 122795881 409467127 /nfs/dbraw/zinc/46/71/27/409467127.db2.gz YPGDDVSPLRQNCR-ZETCQYMHSA-N 1 2 181.226 1.200 20 0 ADADLO CC(C)[C@H](O)C[N@H+](C)CC(F)F 122795670 409467164 /nfs/dbraw/zinc/46/71/64/409467164.db2.gz YPGDDVSPLRQNCR-SSDOTTSWSA-N 1 2 181.226 1.200 20 0 ADADLO CC(C)[C@H](O)C[N@@H+](C)CC(F)F 122795670 409467166 /nfs/dbraw/zinc/46/71/66/409467166.db2.gz YPGDDVSPLRQNCR-SSDOTTSWSA-N 1 2 181.226 1.200 20 0 ADADLO CCC[C@H](O)C[N@H+](C)CC(F)F 122798093 409467593 /nfs/dbraw/zinc/46/75/93/409467593.db2.gz FQAGNARLEYARFV-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO CCC[C@H](O)C[N@@H+](C)CC(F)F 122798093 409467600 /nfs/dbraw/zinc/46/76/00/409467600.db2.gz FQAGNARLEYARFV-ZETCQYMHSA-N 1 2 181.226 1.344 20 0 ADADLO Cc1c[nH]c(C[NH2+]Cc2ccco2)n1 657287462 409467972 /nfs/dbraw/zinc/46/79/72/409467972.db2.gz NBCTYQAMMJKWAF-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO CCC[C@@H](O)C[N@H+](C)CC(F)F 122798293 409468465 /nfs/dbraw/zinc/46/84/65/409468465.db2.gz FQAGNARLEYARFV-SSDOTTSWSA-N 1 2 181.226 1.344 20 0 ADADLO CCC[C@@H](O)C[N@@H+](C)CC(F)F 122798293 409468470 /nfs/dbraw/zinc/46/84/70/409468470.db2.gz FQAGNARLEYARFV-SSDOTTSWSA-N 1 2 181.226 1.344 20 0 ADADLO CC(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 125357262 409469371 /nfs/dbraw/zinc/46/93/71/409469371.db2.gz UTTNJNFTHWKMHI-SSDOTTSWSA-N 1 2 181.239 1.243 20 0 ADADLO Cc1c[nH]c(C[NH2+]Cc2ccoc2)n1 657327185 409469453 /nfs/dbraw/zinc/46/94/53/409469453.db2.gz ZGUPKUWBDWOERJ-UHFFFAOYSA-N 1 2 191.234 1.601 20 0 ADADLO FC(F)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 657293843 409469558 /nfs/dbraw/zinc/46/95/58/409469558.db2.gz VOGCQEKBRZPBDE-SFYZADRCSA-N 1 2 191.221 1.362 20 0 ADADLO FC(F)C[N@H+]1CCC[C@@H]2COC[C@@H]21 657293843 409469560 /nfs/dbraw/zinc/46/95/60/409469560.db2.gz VOGCQEKBRZPBDE-SFYZADRCSA-N 1 2 191.221 1.362 20 0 ADADLO CCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 125358056 409469693 /nfs/dbraw/zinc/46/96/93/409469693.db2.gz MWYMEAUXQXKYOG-SSDOTTSWSA-N 1 2 181.239 1.387 20 0 ADADLO C[C@@H](Nc1ncccn1)c1[nH]cc[nH+]1 125244571 409469950 /nfs/dbraw/zinc/46/99/50/409469950.db2.gz XIGYOYSRNXQMIE-SSDOTTSWSA-N 1 2 189.222 1.373 20 0 ADADLO CCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 125351850 409470091 /nfs/dbraw/zinc/47/00/91/409470091.db2.gz BNOUAZQJLSKBPY-MRVPVSSYSA-N 1 2 195.266 1.777 20 0 ADADLO OC[C@@H]1CCCCC[N@@H+]1CC(F)F 124836373 409471009 /nfs/dbraw/zinc/47/10/09/409471009.db2.gz MOIZRJJNENXYQP-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO OC[C@@H]1CCCCC[N@H+]1CC(F)F 124836373 409471013 /nfs/dbraw/zinc/47/10/13/409471013.db2.gz MOIZRJJNENXYQP-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO CCOCn1c[nH+]c2c1CCCC2 124056448 409471122 /nfs/dbraw/zinc/47/11/22/409471122.db2.gz KCPRCYCARWKBPK-UHFFFAOYSA-N 1 2 180.251 1.756 20 0 ADADLO CC[C@@H]1OCC[C@H]1[NH2+]CC(F)F 657361050 409471308 /nfs/dbraw/zinc/47/13/08/409471308.db2.gz GQFUDLOSXWUNJA-RQJHMYQMSA-N 1 2 179.210 1.409 20 0 ADADLO CCc1cc(NC[C@H](O)CC)nc[nH+]1 125107327 409471396 /nfs/dbraw/zinc/47/13/96/409471396.db2.gz LCAMKRAZNYMOTN-SECBINFHSA-N 1 2 195.266 1.222 20 0 ADADLO OC[C@H]1CCCCC[N@@H+]1CC(F)F 124836135 409471671 /nfs/dbraw/zinc/47/16/71/409471671.db2.gz MOIZRJJNENXYQP-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO OC[C@H]1CCCCC[N@H+]1CC(F)F 124836135 409471677 /nfs/dbraw/zinc/47/16/77/409471677.db2.gz MOIZRJJNENXYQP-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO CC[C@@H](O)CNc1[nH+]cccc1OC 125109958 409472003 /nfs/dbraw/zinc/47/20/03/409472003.db2.gz AARFMZIDQNNACJ-MRVPVSSYSA-N 1 2 196.250 1.273 20 0 ADADLO CCc1cc(NC[C@@H](O)CC)nc[nH+]1 125107556 409472187 /nfs/dbraw/zinc/47/21/87/409472187.db2.gz LCAMKRAZNYMOTN-VIFPVBQESA-N 1 2 195.266 1.222 20 0 ADADLO CC(C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 125365535 409472903 /nfs/dbraw/zinc/47/29/03/409472903.db2.gz JNJWHDFDVKIEDR-MRVPVSSYSA-N 1 2 195.266 1.633 20 0 ADADLO C[C@@H](NC(=O)C(C)(C)C)c1[nH]cc[nH+]1 125399348 409473090 /nfs/dbraw/zinc/47/30/90/409473090.db2.gz VJZDXCXQKCDTBY-SSDOTTSWSA-N 1 2 195.266 1.633 20 0 ADADLO C[C@@H](NC(=O)C1CCC1)c1[nH]cc[nH+]1 125410631 409473129 /nfs/dbraw/zinc/47/31/29/409473129.db2.gz GUJVDRUDHYXYGL-SSDOTTSWSA-N 1 2 193.250 1.387 20 0 ADADLO CC[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 125398695 409473178 /nfs/dbraw/zinc/47/31/78/409473178.db2.gz FBVMMPPLXGJFFX-HTQZYQBOSA-N 1 2 195.266 1.633 20 0 ADADLO CC[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 125398930 409473430 /nfs/dbraw/zinc/47/34/30/409473430.db2.gz FBVMMPPLXGJFFX-JGVFFNPUSA-N 1 2 195.266 1.633 20 0 ADADLO Cc1c[nH]c(CNc2ccn(C)n2)[nH+]1 657392398 409473932 /nfs/dbraw/zinc/47/39/32/409473932.db2.gz QWBVQNUNRBBHEO-UHFFFAOYSA-N 1 2 191.238 1.064 20 0 ADADLO C[C@@H](NC(=O)CC1CC1)c1[nH]cc[nH+]1 125380237 409474170 /nfs/dbraw/zinc/47/41/70/409474170.db2.gz OHXNORGEQBNKIS-SSDOTTSWSA-N 1 2 193.250 1.387 20 0 ADADLO C[C@@H](CF)[NH2+]Cc1cc2n(n1)CCC2 657466596 409476796 /nfs/dbraw/zinc/47/67/96/409476796.db2.gz JSXPIRJSQQOAEE-QMMMGPOBSA-N 1 2 197.257 1.277 20 0 ADADLO Cc1nc(C[NH2+][C@H](C)CF)[nH]c1C 657467337 409477016 /nfs/dbraw/zinc/47/70/16/409477016.db2.gz ZRJFYJXOPIYFEZ-ZCFIWIBFSA-N 1 2 185.246 1.474 20 0 ADADLO Cc1[nH]c(CN[C@H](C)CF)[nH+]c1C 657467337 409477022 /nfs/dbraw/zinc/47/70/22/409477022.db2.gz ZRJFYJXOPIYFEZ-ZCFIWIBFSA-N 1 2 185.246 1.474 20 0 ADADLO Cc1c[nH]c(CNCC(C)(F)F)[nH+]1 657475446 409477319 /nfs/dbraw/zinc/47/73/19/409477319.db2.gz UFGCUWUKFSQXOD-UHFFFAOYSA-N 1 2 189.209 1.463 20 0 ADADLO Cc1nc(C[NH2+][C@@H](C)CF)[nH]c1C 657467336 409477374 /nfs/dbraw/zinc/47/73/74/409477374.db2.gz ZRJFYJXOPIYFEZ-LURJTMIESA-N 1 2 185.246 1.474 20 0 ADADLO Cc1[nH]c(CN[C@@H](C)CF)[nH+]c1C 657467336 409477376 /nfs/dbraw/zinc/47/73/76/409477376.db2.gz ZRJFYJXOPIYFEZ-LURJTMIESA-N 1 2 185.246 1.474 20 0 ADADLO Cc1c[nH]c(CNCC(F)F)[nH+]1 657464405 409477444 /nfs/dbraw/zinc/47/74/44/409477444.db2.gz YMUHRUGGHPCUAH-UHFFFAOYSA-N 1 2 175.182 1.073 20 0 ADADLO Cc1c[nH]c(C[NH2+][C@@H](C)CF)n1 657466363 409477489 /nfs/dbraw/zinc/47/74/89/409477489.db2.gz HPYKUOKNXMQEAN-LURJTMIESA-N 1 2 171.219 1.166 20 0 ADADLO C[C@H](CF)[NH2+]Cc1cc2n(n1)CCC2 657466595 409477704 /nfs/dbraw/zinc/47/77/04/409477704.db2.gz JSXPIRJSQQOAEE-MRVPVSSYSA-N 1 2 197.257 1.277 20 0 ADADLO Cc1[nH]c(CNCC(F)F)[nH+]c1C 657463374 409477750 /nfs/dbraw/zinc/47/77/50/409477750.db2.gz AVTXNMBITDAQCN-UHFFFAOYSA-N 1 2 189.209 1.381 20 0 ADADLO CC(C)n1ccnc1C[NH2+][C@@H](C)CF 657466952 409477815 /nfs/dbraw/zinc/47/78/15/409477815.db2.gz SYOQLFDDXATBON-VIFPVBQESA-N 1 2 199.273 1.912 20 0 ADADLO CC(C)n1ccnc1C[NH2+][C@H](C)CF 657466951 409478086 /nfs/dbraw/zinc/47/80/86/409478086.db2.gz SYOQLFDDXATBON-SECBINFHSA-N 1 2 199.273 1.912 20 0 ADADLO Cc1c[nH]c(C[NH2+][C@H](C)CF)n1 657466364 409478095 /nfs/dbraw/zinc/47/80/95/409478095.db2.gz HPYKUOKNXMQEAN-ZCFIWIBFSA-N 1 2 171.219 1.166 20 0 ADADLO CC(C)(F)CC[NH2+]Cc1ccn[nH]1 657644897 409488031 /nfs/dbraw/zinc/48/80/31/409488031.db2.gz VZDXGIPOMLGYTB-UHFFFAOYSA-N 1 2 185.246 1.638 20 0 ADADLO c1cc(C[NH2+]CCc2ccoc2)[nH]n1 657653188 409488445 /nfs/dbraw/zinc/48/84/45/409488445.db2.gz UYELKKGXHLYZFW-UHFFFAOYSA-N 1 2 191.234 1.335 20 0 ADADLO C1=C(C[NH2+]Cc2ccn[nH]2)CCC1 657748665 409491648 /nfs/dbraw/zinc/49/16/48/409491648.db2.gz KWQHANNXLLDDHA-UHFFFAOYSA-N 1 2 177.251 1.610 20 0 ADADLO Cc1[nH]ncc1C[NH2+]CC1=CCCC1 657749020 409492034 /nfs/dbraw/zinc/49/20/34/409492034.db2.gz QJUCLMNKAHPZBA-UHFFFAOYSA-N 1 2 191.278 1.918 20 0 ADADLO CC1(C)C[C@@]1(C)[NH2+]Cc1ccn[nH]1 657761496 409493368 /nfs/dbraw/zinc/49/33/68/409493368.db2.gz MFXFACFMHGWQOS-SNVBAGLBSA-N 1 2 179.267 1.688 20 0 ADADLO CC1(C)C[C@]1(C)[NH2+]Cc1ccn[nH]1 657761495 409494263 /nfs/dbraw/zinc/49/42/63/409494263.db2.gz MFXFACFMHGWQOS-JTQLQIEISA-N 1 2 179.267 1.688 20 0 ADADLO CC[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C 658189675 409511658 /nfs/dbraw/zinc/51/16/58/409511658.db2.gz PZSPEYLECZVYJA-IONNQARKSA-N 1 2 197.282 1.140 20 0 ADADLO CC[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1C 658189676 409512073 /nfs/dbraw/zinc/51/20/73/409512073.db2.gz PZSPEYLECZVYJA-VXNVDRBHSA-N 1 2 197.282 1.140 20 0 ADADLO Nc1ccc(NC(=O)CCCF)c[nH+]1 659293469 409525255 /nfs/dbraw/zinc/52/52/55/409525255.db2.gz DVEOJFLIAQVYPF-UHFFFAOYSA-N 1 2 197.213 1.352 20 0 ADADLO Cc1nnsc1Cn1cc[nH+]c1 306186630 409546055 /nfs/dbraw/zinc/54/60/55/409546055.db2.gz KDRRHOGJIJBTJI-UHFFFAOYSA-N 1 2 180.236 1.091 20 0 ADADLO O[C@H](CNc1cccc[nH+]1)C1CCC1 306261402 409550724 /nfs/dbraw/zinc/55/07/24/409550724.db2.gz WQLFINLOQIRTQP-SNVBAGLBSA-N 1 2 192.262 1.655 20 0 ADADLO Cc1nc(NC2(CCO)CC2)cc[nH+]1 306273271 409551613 /nfs/dbraw/zinc/55/16/13/409551613.db2.gz YXNIYIIYOKJHKV-UHFFFAOYSA-N 1 2 193.250 1.112 20 0 ADADLO O[C@@H](CNc1cccc[nH+]1)C1CCC1 306261401 409551776 /nfs/dbraw/zinc/55/17/76/409551776.db2.gz WQLFINLOQIRTQP-JTQLQIEISA-N 1 2 192.262 1.655 20 0 ADADLO FC(F)COc1cc[nH+]cc1 306264518 409551972 /nfs/dbraw/zinc/55/19/72/409551972.db2.gz AIYVYZMYROJNDO-UHFFFAOYSA-N 1 2 159.135 1.726 20 0 ADADLO Cc1nc(N(C)C(C)C)cc[nH+]1 306293840 409554156 /nfs/dbraw/zinc/55/41/56/409554156.db2.gz VMFIHURLHNFLAV-UHFFFAOYSA-N 1 2 165.240 1.630 20 0 ADADLO C[C@@H](NC(=O)C1(C)CC1)c1[nH]cc[nH+]1 306300206 409554403 /nfs/dbraw/zinc/55/44/03/409554403.db2.gz LQYHRUMUTCULKA-SSDOTTSWSA-N 1 2 193.250 1.387 20 0 ADADLO C[C@H]1CC[C@H](O)C[N@@H+]1CC(F)F 306366728 409560316 /nfs/dbraw/zinc/56/03/16/409560316.db2.gz HBHRMAHDLPGTMZ-BQBZGAKWSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H]1CC[C@H](O)C[N@H+]1CC(F)F 306366728 409560323 /nfs/dbraw/zinc/56/03/23/409560323.db2.gz HBHRMAHDLPGTMZ-BQBZGAKWSA-N 1 2 179.210 1.097 20 0 ADADLO CN(Cc1cn(C)c[nH+]1)CC(F)F 659879862 409564816 /nfs/dbraw/zinc/56/48/16/409564816.db2.gz XTALHXYQZXEPOA-UHFFFAOYSA-N 1 2 189.209 1.117 20 0 ADADLO O[C@H]1CCC[N@H+](CC(F)F)CC1 306459938 409570125 /nfs/dbraw/zinc/57/01/25/409570125.db2.gz FDLKGFROYKPWNP-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO O[C@H]1CCC[N@@H+](CC(F)F)CC1 306459938 409570137 /nfs/dbraw/zinc/57/01/37/409570137.db2.gz FDLKGFROYKPWNP-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO O[C@@H]1CCC[N@H+](CC(F)F)CC1 306459937 409570301 /nfs/dbraw/zinc/57/03/01/409570301.db2.gz FDLKGFROYKPWNP-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO O[C@@H]1CCC[N@@H+](CC(F)F)CC1 306459937 409570309 /nfs/dbraw/zinc/57/03/09/409570309.db2.gz FDLKGFROYKPWNP-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO CC1(C)CC[N@H+](CCc2cnn[nH]2)C1 659976646 409572991 /nfs/dbraw/zinc/57/29/91/409572991.db2.gz UAPZYRFXSYADET-UHFFFAOYSA-N 1 2 194.282 1.079 20 0 ADADLO CC1(C)CC[N@@H+](CCc2cnn[nH]2)C1 659976646 409572995 /nfs/dbraw/zinc/57/29/95/409572995.db2.gz UAPZYRFXSYADET-UHFFFAOYSA-N 1 2 194.282 1.079 20 0 ADADLO CC(C)=CCC[N@@H+](C)Cc1nnc[nH]1 659992598 409573197 /nfs/dbraw/zinc/57/31/97/409573197.db2.gz DPHKIRQIFCGWNY-UHFFFAOYSA-N 1 2 194.282 1.593 20 0 ADADLO CC(C)=CCC[N@H+](C)Cc1nnc[nH]1 659992598 409573204 /nfs/dbraw/zinc/57/32/04/409573204.db2.gz DPHKIRQIFCGWNY-UHFFFAOYSA-N 1 2 194.282 1.593 20 0 ADADLO C[N@H+](CCC1CCC1)Cc1nnc[nH]1 659995106 409573395 /nfs/dbraw/zinc/57/33/95/409573395.db2.gz RCWSRACJGBOAHU-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C[N@@H+](CCC1CCC1)Cc1nnc[nH]1 659995106 409573400 /nfs/dbraw/zinc/57/34/00/409573400.db2.gz RCWSRACJGBOAHU-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)CC1CC=CC1 659995849 409574319 /nfs/dbraw/zinc/57/43/19/409574319.db2.gz WJWSAYFCNIRFFA-UHFFFAOYSA-N 1 2 192.266 1.203 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)CC1CC=CC1 659995849 409574325 /nfs/dbraw/zinc/57/43/25/409574325.db2.gz WJWSAYFCNIRFFA-UHFFFAOYSA-N 1 2 192.266 1.203 20 0 ADADLO Cc1cc(NC2(CCO)CC2)nc[nH+]1 306729819 409583665 /nfs/dbraw/zinc/58/36/65/409583665.db2.gz DGDGZNWYWYAGRJ-UHFFFAOYSA-N 1 2 193.250 1.112 20 0 ADADLO Cn1c[nH+]c(CN2CCC=C(F)C2)c1 660166836 409583694 /nfs/dbraw/zinc/58/36/94/409583694.db2.gz GFRFVASICXFLFN-UHFFFAOYSA-N 1 2 195.241 1.479 20 0 ADADLO CN(Cc1[nH]cc[nH+]1)Cc1ccno1 660142531 409583827 /nfs/dbraw/zinc/58/38/27/409583827.db2.gz HAPZLRKMDWCUIS-UHFFFAOYSA-N 1 2 192.222 1.030 20 0 ADADLO CCC[C@@H](O)C[N@H+](C)Cc1ncc[nH]1 660142086 409583949 /nfs/dbraw/zinc/58/39/49/409583949.db2.gz MZHHKSZTFRPWJA-SECBINFHSA-N 1 2 197.282 1.003 20 0 ADADLO CCC[C@@H](O)C[N@@H+](C)Cc1ncc[nH]1 660142086 409583950 /nfs/dbraw/zinc/58/39/50/409583950.db2.gz MZHHKSZTFRPWJA-SECBINFHSA-N 1 2 197.282 1.003 20 0 ADADLO CC(=O)CSc1nc(N)cc(C)[nH+]1 306688023 409584043 /nfs/dbraw/zinc/58/40/43/409584043.db2.gz IQJGAPSWISEDGV-UHFFFAOYSA-N 1 2 197.263 1.048 20 0 ADADLO C[N@H+](CC1=CCCC1)Cc1ncc[nH]1 660142035 409584622 /nfs/dbraw/zinc/58/46/22/409584622.db2.gz MRTGRCZQKSNOQE-UHFFFAOYSA-N 1 2 191.278 1.952 20 0 ADADLO C[N@@H+](CC1=CCCC1)Cc1ncc[nH]1 660142035 409584629 /nfs/dbraw/zinc/58/46/29/409584629.db2.gz MRTGRCZQKSNOQE-UHFFFAOYSA-N 1 2 191.278 1.952 20 0 ADADLO CCC[C@H](O)C[N@H+](C)Cc1ncc[nH]1 660142087 409584726 /nfs/dbraw/zinc/58/47/26/409584726.db2.gz MZHHKSZTFRPWJA-VIFPVBQESA-N 1 2 197.282 1.003 20 0 ADADLO CCC[C@H](O)C[N@@H+](C)Cc1ncc[nH]1 660142087 409584734 /nfs/dbraw/zinc/58/47/34/409584734.db2.gz MZHHKSZTFRPWJA-VIFPVBQESA-N 1 2 197.282 1.003 20 0 ADADLO CC[C@H](C[N@H+](C)Cc1ncc[nH]1)OC 660142268 409584753 /nfs/dbraw/zinc/58/47/53/409584753.db2.gz SUYFKLTZOTZEQM-SECBINFHSA-N 1 2 197.282 1.267 20 0 ADADLO CC[C@H](C[N@@H+](C)Cc1ncc[nH]1)OC 660142268 409584762 /nfs/dbraw/zinc/58/47/62/409584762.db2.gz SUYFKLTZOTZEQM-SECBINFHSA-N 1 2 197.282 1.267 20 0 ADADLO CC[C@@H](C[N@H+](C)Cc1ncc[nH]1)OC 660142269 409585059 /nfs/dbraw/zinc/58/50/59/409585059.db2.gz SUYFKLTZOTZEQM-VIFPVBQESA-N 1 2 197.282 1.267 20 0 ADADLO CC[C@@H](C[N@@H+](C)Cc1ncc[nH]1)OC 660142269 409585067 /nfs/dbraw/zinc/58/50/67/409585067.db2.gz SUYFKLTZOTZEQM-VIFPVBQESA-N 1 2 197.282 1.267 20 0 ADADLO CC1CC[NH+](Cc2cnn[nH]2)CC1 306753453 409586383 /nfs/dbraw/zinc/58/63/83/409586383.db2.gz JNICANGHNBUSCK-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC1CC[NH+](Cc2c[nH]nn2)CC1 306753453 409586389 /nfs/dbraw/zinc/58/63/89/409586389.db2.gz JNICANGHNBUSCK-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC1CC[NH+](Cc2cn[nH]n2)CC1 306753453 409586401 /nfs/dbraw/zinc/58/64/01/409586401.db2.gz JNICANGHNBUSCK-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@H](C)O 306737776 409586952 /nfs/dbraw/zinc/58/69/52/409586952.db2.gz RQBWRTPGDJAFGY-CBAPKCEASA-N 1 2 195.266 1.356 20 0 ADADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@H](C)O 306737777 409587275 /nfs/dbraw/zinc/58/72/75/409587275.db2.gz RQBWRTPGDJAFGY-IONNQARKSA-N 1 2 195.266 1.356 20 0 ADADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@@H](C)O 306737775 409587729 /nfs/dbraw/zinc/58/77/29/409587729.db2.gz RQBWRTPGDJAFGY-APPZFPTMSA-N 1 2 195.266 1.356 20 0 ADADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@@H](C)O 306737778 409587927 /nfs/dbraw/zinc/58/79/27/409587927.db2.gz RQBWRTPGDJAFGY-VXNVDRBHSA-N 1 2 195.266 1.356 20 0 ADADLO COc1cc(C[N@H+]2CC=CCC2)on1 660221946 409588038 /nfs/dbraw/zinc/58/80/38/409588038.db2.gz SQGWUDQHWSPNSN-UHFFFAOYSA-N 1 2 194.234 1.445 20 0 ADADLO COc1cc(C[N@@H+]2CC=CCC2)on1 660221946 409588039 /nfs/dbraw/zinc/58/80/39/409588039.db2.gz SQGWUDQHWSPNSN-UHFFFAOYSA-N 1 2 194.234 1.445 20 0 ADADLO c1n[nH]nc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 306851234 409599340 /nfs/dbraw/zinc/59/93/40/409599340.db2.gz QCONIZMYDJYKTF-FKTZTGRPSA-N 1 2 192.266 1.083 20 0 ADADLO c1[nH]nnc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 306851234 409599335 /nfs/dbraw/zinc/59/93/35/409599335.db2.gz QCONIZMYDJYKTF-FKTZTGRPSA-N 1 2 192.266 1.083 20 0 ADADLO C[C@H]1[C@H](O)CCC[N@@H+]1CC(F)F 307040834 409607636 /nfs/dbraw/zinc/60/76/36/409607636.db2.gz RCKFLQQUURNYQX-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H]1[C@H](O)CCC[N@H+]1CC(F)F 307040834 409607641 /nfs/dbraw/zinc/60/76/41/409607641.db2.gz RCKFLQQUURNYQX-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(F)F 307040835 409608259 /nfs/dbraw/zinc/60/82/59/409608259.db2.gz RCKFLQQUURNYQX-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]1[C@H](O)CCC[N@H+]1CC(F)F 307040835 409608265 /nfs/dbraw/zinc/60/82/65/409608265.db2.gz RCKFLQQUURNYQX-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(F)F 307040836 409608507 /nfs/dbraw/zinc/60/85/07/409608507.db2.gz RCKFLQQUURNYQX-RQJHMYQMSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H]1[C@@H](O)CCC[N@H+]1CC(F)F 307040836 409608514 /nfs/dbraw/zinc/60/85/14/409608514.db2.gz RCKFLQQUURNYQX-RQJHMYQMSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(F)F 307040833 409609080 /nfs/dbraw/zinc/60/90/80/409609080.db2.gz RCKFLQQUURNYQX-BQBZGAKWSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H]1[C@@H](O)CCC[N@H+]1CC(F)F 307040833 409609089 /nfs/dbraw/zinc/60/90/89/409609089.db2.gz RCKFLQQUURNYQX-BQBZGAKWSA-N 1 2 179.210 1.097 20 0 ADADLO CCc1cc(N[C@@H](C)CF)nc[nH+]1 307046708 409609323 /nfs/dbraw/zinc/60/93/23/409609323.db2.gz YKLXQOYFDGMBAR-ZETCQYMHSA-N 1 2 183.230 1.809 20 0 ADADLO C1=C(Cn2cc[nH+]c2)CCC1 307062720 409613555 /nfs/dbraw/zinc/61/35/55/409613555.db2.gz NHNUQRZSLPQIMN-UHFFFAOYSA-N 1 2 148.209 1.993 20 0 ADADLO CCC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 660842060 409620739 /nfs/dbraw/zinc/62/07/39/409620739.db2.gz KVTGSJGDIYEOGI-ZETCQYMHSA-N 1 2 199.254 1.396 20 0 ADADLO CC[C@H](Nc1cccc[nH+]1)[C@H](C)O 307133365 409619684 /nfs/dbraw/zinc/61/96/84/409619684.db2.gz MTBMIIAICRIXBN-IUCAKERBSA-N 1 2 180.251 1.653 20 0 ADADLO CC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 660845544 409619685 /nfs/dbraw/zinc/61/96/85/409619685.db2.gz QYAAYIIVQWVHMQ-LURJTMIESA-N 1 2 185.227 1.006 20 0 ADADLO CC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 660845544 409619696 /nfs/dbraw/zinc/61/96/96/409619696.db2.gz QYAAYIIVQWVHMQ-LURJTMIESA-N 1 2 185.227 1.006 20 0 ADADLO C[N@H+](Cc1n[nH]c(=O)o1)C1CCCC1 660845477 409620471 /nfs/dbraw/zinc/62/04/71/409620471.db2.gz PWCBSQUCUIUSTF-UHFFFAOYSA-N 1 2 197.238 1.150 20 0 ADADLO C[N@@H+](Cc1n[nH]c(=O)o1)C1CCCC1 660845477 409620477 /nfs/dbraw/zinc/62/04/77/409620477.db2.gz 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C[N@H+](CCC1CC1)Cc1n[nH]c(=O)o1 660845338 409621298 /nfs/dbraw/zinc/62/12/98/409621298.db2.gz OWYZTQZKJLGCDB-UHFFFAOYSA-N 1 2 197.238 1.007 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1n[nH]c(=O)o1 660845338 409621300 /nfs/dbraw/zinc/62/13/00/409621300.db2.gz OWYZTQZKJLGCDB-UHFFFAOYSA-N 1 2 197.238 1.007 20 0 ADADLO CC(C)CC[N@H+](C)Cc1n[nH]c(=O)o1 660850372 409621395 /nfs/dbraw/zinc/62/13/95/409621395.db2.gz UXEXZGMZWBBLLF-UHFFFAOYSA-N 1 2 199.254 1.253 20 0 ADADLO CC(C)CC[N@@H+](C)Cc1n[nH]c(=O)o1 660850372 409621403 /nfs/dbraw/zinc/62/14/03/409621403.db2.gz UXEXZGMZWBBLLF-UHFFFAOYSA-N 1 2 199.254 1.253 20 0 ADADLO CC[C@H](Nc1cccc[nH+]1)[C@@H](C)O 307133363 409621727 /nfs/dbraw/zinc/62/17/27/409621727.db2.gz MTBMIIAICRIXBN-BDAKNGLRSA-N 1 2 180.251 1.653 20 0 ADADLO CCC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 660842059 409622146 /nfs/dbraw/zinc/62/21/46/409622146.db2.gz KVTGSJGDIYEOGI-SSDOTTSWSA-N 1 2 199.254 1.396 20 0 ADADLO CCC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 660842059 409622153 /nfs/dbraw/zinc/62/21/53/409622153.db2.gz KVTGSJGDIYEOGI-SSDOTTSWSA-N 1 2 199.254 1.396 20 0 ADADLO CC[C@@H](C)C[N@H+](C)Cc1n[nH]c(=O)o1 660843715 409622217 /nfs/dbraw/zinc/62/22/17/409622217.db2.gz CALKANFKMQBDBE-SSDOTTSWSA-N 1 2 199.254 1.253 20 0 ADADLO CC[C@@H](C)C[N@@H+](C)Cc1n[nH]c(=O)o1 660843715 409622223 /nfs/dbraw/zinc/62/22/23/409622223.db2.gz CALKANFKMQBDBE-SSDOTTSWSA-N 1 2 199.254 1.253 20 0 ADADLO CC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 660845545 409622282 /nfs/dbraw/zinc/62/22/82/409622282.db2.gz QYAAYIIVQWVHMQ-ZCFIWIBFSA-N 1 2 185.227 1.006 20 0 ADADLO CC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 660845545 409622287 /nfs/dbraw/zinc/62/22/87/409622287.db2.gz QYAAYIIVQWVHMQ-ZCFIWIBFSA-N 1 2 185.227 1.006 20 0 ADADLO CC[C@@H](Nc1cccc[nH+]1)[C@@H](C)O 307133366 409622651 /nfs/dbraw/zinc/62/26/51/409622651.db2.gz MTBMIIAICRIXBN-RKDXNWHRSA-N 1 2 180.251 1.653 20 0 ADADLO CCCC[N@H+](C)Cc1n[nH]c(=O)o1 660849907 409622722 /nfs/dbraw/zinc/62/27/22/409622722.db2.gz QPAFMOYLLIJEJB-UHFFFAOYSA-N 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660930009 409624179 /nfs/dbraw/zinc/62/41/79/409624179.db2.gz DXRRAWCJFQHHSV-WPRPVWTQSA-N 1 2 192.266 1.179 20 0 ADADLO c1[nH]nnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 660930009 409624183 /nfs/dbraw/zinc/62/41/83/409624183.db2.gz DXRRAWCJFQHHSV-WPRPVWTQSA-N 1 2 192.266 1.179 20 0 ADADLO c1[nH]nnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 660930009 409624189 /nfs/dbraw/zinc/62/41/89/409624189.db2.gz DXRRAWCJFQHHSV-WPRPVWTQSA-N 1 2 192.266 1.179 20 0 ADADLO c1n[nH]nc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 660930009 409624195 /nfs/dbraw/zinc/62/41/95/409624195.db2.gz DXRRAWCJFQHHSV-WPRPVWTQSA-N 1 2 192.266 1.179 20 0 ADADLO c1n[nH]nc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 660930009 409624201 /nfs/dbraw/zinc/62/42/01/409624201.db2.gz DXRRAWCJFQHHSV-WPRPVWTQSA-N 1 2 192.266 1.179 20 0 ADADLO CN(Cc1c[nH+]c[nH]1)Cc1ccno1 661086147 409629010 /nfs/dbraw/zinc/62/90/10/409629010.db2.gz VXARAOKEVUXHCC-UHFFFAOYSA-N 1 2 192.222 1.030 20 0 ADADLO CN(Cc1c[nH]c[nH+]1)Cc1ccno1 661086147 409629020 /nfs/dbraw/zinc/62/90/20/409629020.db2.gz 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C[C@H]1C[C@H]1C[N@H+]1CCC(F)(F)C1 307353928 409639164 /nfs/dbraw/zinc/63/91/64/409639164.db2.gz SABWWBZGXDEMEZ-YUMQZZPRSA-N 1 2 175.222 1.983 20 0 ADADLO Cc1nnc(C[N@H+](C)CCCF)o1 661530772 409646716 /nfs/dbraw/zinc/64/67/16/409646716.db2.gz XEJCNVKYPIFBQP-UHFFFAOYSA-N 1 2 187.218 1.169 20 0 ADADLO Cc1nnc(C[N@@H+](C)CCCF)o1 661530772 409646720 /nfs/dbraw/zinc/64/67/20/409646720.db2.gz XEJCNVKYPIFBQP-UHFFFAOYSA-N 1 2 187.218 1.169 20 0 ADADLO CC(C)=CC[N@@H+](C)Cc1nnc(C)o1 661529368 409647678 /nfs/dbraw/zinc/64/76/78/409647678.db2.gz WFVDUEQGXXUMMA-UHFFFAOYSA-N 1 2 195.266 1.776 20 0 ADADLO CC(C)=CC[N@H+](C)Cc1nnc(C)o1 661529368 409647681 /nfs/dbraw/zinc/64/76/81/409647681.db2.gz WFVDUEQGXXUMMA-UHFFFAOYSA-N 1 2 195.266 1.776 20 0 ADADLO C[C@@H]1C[NH+](CC(F)F)C[C@@H](C)C1O 661624231 409649602 /nfs/dbraw/zinc/64/96/02/409649602.db2.gz JEPRTOKLRATYNQ-RNFRBKRXSA-N 1 2 193.237 1.200 20 0 ADADLO C[C@H]1C[NH+](CC(F)F)C[C@H](C)C1O 661624229 409650466 /nfs/dbraw/zinc/65/04/66/409650466.db2.gz JEPRTOKLRATYNQ-BQBZGAKWSA-N 1 2 193.237 1.200 20 0 ADADLO C[C@H]1C[N@H+](CC(F)F)C[C@@H](C)[C@@H]1O 661624230 409650621 /nfs/dbraw/zinc/65/06/21/409650621.db2.gz JEPRTOKLRATYNQ-QMSLJYSESA-N 1 2 193.237 1.200 20 0 ADADLO C[C@H]1C[N@@H+](CC(F)F)C[C@@H](C)[C@@H]1O 661624230 409650626 /nfs/dbraw/zinc/65/06/26/409650626.db2.gz JEPRTOKLRATYNQ-QMSLJYSESA-N 1 2 193.237 1.200 20 0 ADADLO C[C@]12COC[C@H]1C[N@@H+](CC(F)F)C2 661704247 409654815 /nfs/dbraw/zinc/65/48/15/409654815.db2.gz KZJDXVONMJAALH-APPZFPTMSA-N 1 2 191.221 1.220 20 0 ADADLO C[C@]12COC[C@H]1C[N@H+](CC(F)F)C2 661704247 409654810 /nfs/dbraw/zinc/65/48/10/409654810.db2.gz KZJDXVONMJAALH-APPZFPTMSA-N 1 2 191.221 1.220 20 0 ADADLO C[C@]12COC[C@@H]1C[N@H+](CC(F)F)C2 661704248 409655185 /nfs/dbraw/zinc/65/51/85/409655185.db2.gz KZJDXVONMJAALH-CBAPKCEASA-N 1 2 191.221 1.220 20 0 ADADLO C[C@]12COC[C@@H]1C[N@@H+](CC(F)F)C2 661704248 409655193 /nfs/dbraw/zinc/65/51/93/409655193.db2.gz KZJDXVONMJAALH-CBAPKCEASA-N 1 2 191.221 1.220 20 0 ADADLO C[C@@]12COC[C@@H]1C[N@H+](CC(F)F)C2 661704249 409655226 /nfs/dbraw/zinc/65/52/26/409655226.db2.gz KZJDXVONMJAALH-IONNQARKSA-N 1 2 191.221 1.220 20 0 ADADLO C[C@@]12COC[C@@H]1C[N@@H+](CC(F)F)C2 661704249 409655230 /nfs/dbraw/zinc/65/52/30/409655230.db2.gz KZJDXVONMJAALH-IONNQARKSA-N 1 2 191.221 1.220 20 0 ADADLO C[C@@]12COC[C@H]1C[N@H+](CC(F)F)C2 661704251 409655448 /nfs/dbraw/zinc/65/54/48/409655448.db2.gz KZJDXVONMJAALH-VXNVDRBHSA-N 1 2 191.221 1.220 20 0 ADADLO C[C@@]12COC[C@H]1C[N@@H+](CC(F)F)C2 661704251 409655450 /nfs/dbraw/zinc/65/54/50/409655450.db2.gz KZJDXVONMJAALH-VXNVDRBHSA-N 1 2 191.221 1.220 20 0 ADADLO C[C@@H](CF)[NH2+]Cc1nccs1 307609632 409657110 /nfs/dbraw/zinc/65/71/10/409657110.db2.gz FLKHMTBFDBIYFS-LURJTMIESA-N 1 2 174.244 1.591 20 0 ADADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@H](C)O 307604769 409657318 /nfs/dbraw/zinc/65/73/18/409657318.db2.gz WZAVNIZCPLEEKV-DTWKUNHWSA-N 1 2 195.266 1.356 20 0 ADADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@H](C)O 307604770 409657337 /nfs/dbraw/zinc/65/73/37/409657337.db2.gz WZAVNIZCPLEEKV-IUCAKERBSA-N 1 2 195.266 1.356 20 0 ADADLO C[C@@H](CF)[NH2+]Cc1cscn1 307607235 409657623 /nfs/dbraw/zinc/65/76/23/409657623.db2.gz BIJKSHGKGBHILX-LURJTMIESA-N 1 2 174.244 1.591 20 0 ADADLO C[C@@H](CF)[NH2+]Cc1cocn1 307620279 409658522 /nfs/dbraw/zinc/65/85/22/409658522.db2.gz IMLFTJAKBXGQPT-LURJTMIESA-N 1 2 158.176 1.122 20 0 ADADLO CC(C)=CC[N@@H+](C)Cc1cn(C)nn1 661743903 409658676 /nfs/dbraw/zinc/65/86/76/409658676.db2.gz PAYQNADPRNUWHT-UHFFFAOYSA-N 1 2 194.282 1.213 20 0 ADADLO CC(C)=CC[N@H+](C)Cc1cn(C)nn1 661743903 409658682 /nfs/dbraw/zinc/65/86/82/409658682.db2.gz PAYQNADPRNUWHT-UHFFFAOYSA-N 1 2 194.282 1.213 20 0 ADADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@@H](C)O 307604768 409659189 /nfs/dbraw/zinc/65/91/89/409659189.db2.gz WZAVNIZCPLEEKV-BDAKNGLRSA-N 1 2 195.266 1.356 20 0 ADADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@@H](C)O 307604771 409659691 /nfs/dbraw/zinc/65/96/91/409659691.db2.gz WZAVNIZCPLEEKV-RKDXNWHRSA-N 1 2 195.266 1.356 20 0 ADADLO C[C@H](O)[C@H]1CCC[N@@H+]1CC(F)F 661766529 409661418 /nfs/dbraw/zinc/66/14/18/409661418.db2.gz ZIENZFVNTVOAMZ-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H](O)[C@H]1CCC[N@H+]1CC(F)F 661766529 409661426 /nfs/dbraw/zinc/66/14/26/409661426.db2.gz ZIENZFVNTVOAMZ-NKWVEPMBSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(F)F 661766530 409661960 /nfs/dbraw/zinc/66/19/60/409661960.db2.gz ZIENZFVNTVOAMZ-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@@H](O)[C@H]1CCC[N@H+]1CC(F)F 661766530 409661966 /nfs/dbraw/zinc/66/19/66/409661966.db2.gz ZIENZFVNTVOAMZ-RNFRBKRXSA-N 1 2 179.210 1.097 20 0 ADADLO C[C@H]1C[N@@H+](CC(F)F)CC[C@@H](C)O1 661853263 409665676 /nfs/dbraw/zinc/66/56/76/409665676.db2.gz QOOMQZFWPQPJMT-SFYZADRCSA-N 1 2 193.237 1.751 20 0 ADADLO Cc1cnc(C[NH2+]CCF)s1 307656390 409665010 /nfs/dbraw/zinc/66/50/10/409665010.db2.gz QHAHHZXEWRVXTC-UHFFFAOYSA-N 1 2 174.244 1.511 20 0 ADADLO O[C@H]1C[C@H]([NH2+]CC(F)F)C12CCC2 661828126 409665370 /nfs/dbraw/zinc/66/53/70/409665370.db2.gz QZJITJAAURQVTL-BQBZGAKWSA-N 1 2 191.221 1.145 20 0 ADADLO O[C@@H]1C[C@@H]([NH2+]CC(F)F)C12CCC2 661828128 409665640 /nfs/dbraw/zinc/66/56/40/409665640.db2.gz QZJITJAAURQVTL-RNFRBKRXSA-N 1 2 191.221 1.145 20 0 ADADLO C[C@H]1C[N@H+](CC(F)F)CC[C@@H](C)O1 661853263 409665686 /nfs/dbraw/zinc/66/56/86/409665686.db2.gz QOOMQZFWPQPJMT-SFYZADRCSA-N 1 2 193.237 1.751 20 0 ADADLO O[C@H]1C[C@@H]([NH2+]CC(F)F)C12CCC2 661828129 409666244 /nfs/dbraw/zinc/66/62/44/409666244.db2.gz QZJITJAAURQVTL-RQJHMYQMSA-N 1 2 191.221 1.145 20 0 ADADLO O[C@@H]1C[C@H]([NH2+]CC(F)F)C12CCC2 661828127 409668132 /nfs/dbraw/zinc/66/81/32/409668132.db2.gz QZJITJAAURQVTL-NKWVEPMBSA-N 1 2 191.221 1.145 20 0 ADADLO Cc1nc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)no1 661971008 409675260 /nfs/dbraw/zinc/67/52/60/409675260.db2.gz GTFBOSJAHZRFGK-RKDXNWHRSA-N 1 2 193.250 1.220 20 0 ADADLO Cc1nc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)no1 661971008 409675267 /nfs/dbraw/zinc/67/52/67/409675267.db2.gz GTFBOSJAHZRFGK-RKDXNWHRSA-N 1 2 193.250 1.220 20 0 ADADLO COCCCOc1cc[nH+]cc1 308094908 409683773 /nfs/dbraw/zinc/68/37/73/409683773.db2.gz XIPUGKPOENROPK-UHFFFAOYSA-N 1 2 167.208 1.497 20 0 ADADLO c1snnc1C[N@@H+]1CC[C@H]2C[C@H]2C1 661968678 409675590 /nfs/dbraw/zinc/67/55/90/409675590.db2.gz ZVPMBXDIQAROKS-YUMQZZPRSA-N 1 2 195.291 1.380 20 0 ADADLO c1snnc1C[N@H+]1CC[C@H]2C[C@H]2C1 661968678 409675602 /nfs/dbraw/zinc/67/56/02/409675602.db2.gz ZVPMBXDIQAROKS-YUMQZZPRSA-N 1 2 195.291 1.380 20 0 ADADLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H]3C2)no1 661971004 409675772 /nfs/dbraw/zinc/67/57/72/409675772.db2.gz GTFBOSJAHZRFGK-IUCAKERBSA-N 1 2 193.250 1.220 20 0 ADADLO Cc1nc(C[N@H+]2CC[C@H]3C[C@H]3C2)no1 661971004 409675779 /nfs/dbraw/zinc/67/57/79/409675779.db2.gz GTFBOSJAHZRFGK-IUCAKERBSA-N 1 2 193.250 1.220 20 0 ADADLO c1snnc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 661968674 409676570 /nfs/dbraw/zinc/67/65/70/409676570.db2.gz ZVPMBXDIQAROKS-HTQZYQBOSA-N 1 2 195.291 1.380 20 0 ADADLO c1snnc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 661968674 409676572 /nfs/dbraw/zinc/67/65/72/409676572.db2.gz ZVPMBXDIQAROKS-HTQZYQBOSA-N 1 2 195.291 1.380 20 0 ADADLO Cc1cn[nH]c1C[NH2+][C@@H](C)CF 308089373 409684332 /nfs/dbraw/zinc/68/43/32/409684332.db2.gz RREOXNRCMXWFPQ-ZETCQYMHSA-N 1 2 171.219 1.166 20 0 ADADLO Cc1c[nH]nc1C[NH2+][C@@H](C)CF 308089373 409684340 /nfs/dbraw/zinc/68/43/40/409684340.db2.gz RREOXNRCMXWFPQ-ZETCQYMHSA-N 1 2 171.219 1.166 20 0 ADADLO CC(C)CC1([NH2+]Cc2c[nH]nn2)CC1 662066354 409686788 /nfs/dbraw/zinc/68/67/88/409686788.db2.gz KAAJHOGMNZLUFV-UHFFFAOYSA-N 1 2 194.282 1.473 20 0 ADADLO CC(C)CC1([NH2+]Cc2cn[nH]n2)CC1 662066354 409686790 /nfs/dbraw/zinc/68/67/90/409686790.db2.gz KAAJHOGMNZLUFV-UHFFFAOYSA-N 1 2 194.282 1.473 20 0 ADADLO C[C@@H]1C[N@H+](CC(F)F)C[C@]1(C)CO 662135993 409689037 /nfs/dbraw/zinc/68/90/37/409689037.db2.gz RXTAJOIBBWHTOX-VXNVDRBHSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@@H]1C[N@@H+](CC(F)F)C[C@]1(C)CO 662135993 409689042 /nfs/dbraw/zinc/68/90/42/409689042.db2.gz RXTAJOIBBWHTOX-VXNVDRBHSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@H]1C[N@H+](CC(F)F)C[C@]1(C)CO 662135992 409690113 /nfs/dbraw/zinc/69/01/13/409690113.db2.gz RXTAJOIBBWHTOX-IONNQARKSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@H]1C[N@@H+](CC(F)F)C[C@]1(C)CO 662135992 409690120 /nfs/dbraw/zinc/69/01/20/409690120.db2.gz RXTAJOIBBWHTOX-IONNQARKSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@H]1C[N@H+](CC(F)F)C[C@@]1(C)CO 662135991 409690130 /nfs/dbraw/zinc/69/01/30/409690130.db2.gz RXTAJOIBBWHTOX-CBAPKCEASA-N 1 2 193.237 1.202 20 0 ADADLO C[C@H]1C[N@@H+](CC(F)F)C[C@@]1(C)CO 662135991 409690136 /nfs/dbraw/zinc/69/01/36/409690136.db2.gz RXTAJOIBBWHTOX-CBAPKCEASA-N 1 2 193.237 1.202 20 0 ADADLO C[C@@H]1C[N@H+](CC(F)F)C[C@@]1(C)CO 662135990 409691204 /nfs/dbraw/zinc/69/12/04/409691204.db2.gz RXTAJOIBBWHTOX-APPZFPTMSA-N 1 2 193.237 1.202 20 0 ADADLO C[C@@H]1C[N@@H+](CC(F)F)C[C@@]1(C)CO 662135990 409691214 /nfs/dbraw/zinc/69/12/14/409691214.db2.gz RXTAJOIBBWHTOX-APPZFPTMSA-N 1 2 193.237 1.202 20 0 ADADLO CC(C)(O)CCOc1cc[nH+]cc1 308178380 409693311 /nfs/dbraw/zinc/69/33/11/409693311.db2.gz TZPCMEXZAPXDDB-UHFFFAOYSA-N 1 2 181.235 1.621 20 0 ADADLO CC[N@H+](Cc1nnc(C)[nH]1)C1CC1 308208834 409696703 /nfs/dbraw/zinc/69/67/03/409696703.db2.gz FDDQRLMGCXBOLQ-UHFFFAOYSA-N 1 2 180.255 1.097 20 0 ADADLO CC[N@@H+](Cc1nnc(C)[nH]1)C1CC1 308208834 409696708 /nfs/dbraw/zinc/69/67/08/409696708.db2.gz FDDQRLMGCXBOLQ-UHFFFAOYSA-N 1 2 180.255 1.097 20 0 ADADLO C[C@H](NCc1[nH]cc[nH+]1)C(F)(F)F 308252347 409702589 /nfs/dbraw/zinc/70/25/89/409702589.db2.gz IIHRVHPLBCVEGO-YFKPBYRVSA-N 1 2 193.172 1.450 20 0 ADADLO C[C@@H](NCc1[nH]cc[nH+]1)C(F)(F)F 308252346 409704255 /nfs/dbraw/zinc/70/42/55/409704255.db2.gz IIHRVHPLBCVEGO-RXMQYKEDSA-N 1 2 193.172 1.450 20 0 ADADLO CCn1ccnc1C[NH2+][C@@H](C)CF 308291501 409707179 /nfs/dbraw/zinc/70/71/79/409707179.db2.gz JCGQTBRXEWNBPX-QMMMGPOBSA-N 1 2 185.246 1.351 20 0 ADADLO CC12CC(C[N@@H+]1CC(F)F)C2 662384208 409726179 /nfs/dbraw/zinc/72/61/79/409726179.db2.gz ULPNUNRMMZJHPG-UHFFFAOYSA-N 1 2 161.195 1.736 20 0 ADADLO CC12CC(C[N@H+]1CC(F)F)C2 662384208 409726184 /nfs/dbraw/zinc/72/61/84/409726184.db2.gz ULPNUNRMMZJHPG-UHFFFAOYSA-N 1 2 161.195 1.736 20 0 ADADLO CC[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1C 308608220 409739051 /nfs/dbraw/zinc/73/90/51/409739051.db2.gz PZSPEYLECZVYJA-CBAPKCEASA-N 1 2 197.282 1.140 20 0 ADADLO CC[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1C 308608219 409739198 /nfs/dbraw/zinc/73/91/98/409739198.db2.gz PZSPEYLECZVYJA-APPZFPTMSA-N 1 2 197.282 1.140 20 0 ADADLO COC1(CCn2cc[nH+]c2)CCC1 310237624 409773597 /nfs/dbraw/zinc/77/35/97/409773597.db2.gz IBAKRCNUMKHMKQ-UHFFFAOYSA-N 1 2 180.251 1.842 20 0 ADADLO CCC[C@@H](O)C[N@@H+]1CCC(F)(F)C1 313262573 409777779 /nfs/dbraw/zinc/77/77/79/409777779.db2.gz PWTLCRHFPMHBKP-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO CCC[C@@H](O)C[N@H+]1CCC(F)(F)C1 313262573 409777790 /nfs/dbraw/zinc/77/77/90/409777790.db2.gz PWTLCRHFPMHBKP-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO CCC[C@H](O)C[N@@H+]1CCC(F)(F)C1 313262575 409778833 /nfs/dbraw/zinc/77/88/33/409778833.db2.gz PWTLCRHFPMHBKP-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO CCC[C@H](O)C[N@H+]1CCC(F)(F)C1 313262575 409778851 /nfs/dbraw/zinc/77/88/51/409778851.db2.gz PWTLCRHFPMHBKP-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO Cc1nc(NC[C@@H]2CC23CC3)cc[nH+]1 334964692 409789655 /nfs/dbraw/zinc/78/96/55/409789655.db2.gz BBSRNZZGLANFQG-VIFPVBQESA-N 1 2 189.262 1.997 20 0 ADADLO Cc1cc(NC[C@@H]2CC23CC3)nc[nH+]1 334965272 409789772 /nfs/dbraw/zinc/78/97/72/409789772.db2.gz GNGJUICHGSKMHI-VIFPVBQESA-N 1 2 189.262 1.997 20 0 ADADLO Cc1nc(NC[C@H]2CC23CC3)cc[nH+]1 334964691 409790074 /nfs/dbraw/zinc/79/00/74/409790074.db2.gz BBSRNZZGLANFQG-SECBINFHSA-N 1 2 189.262 1.997 20 0 ADADLO Cc1cc(NC[C@H]2CC23CC3)nc[nH+]1 334965271 409790331 /nfs/dbraw/zinc/79/03/31/409790331.db2.gz GNGJUICHGSKMHI-SECBINFHSA-N 1 2 189.262 1.997 20 0 ADADLO F[C@H]1CCN(c2cccc[nH+]2)C1 336188989 409795023 /nfs/dbraw/zinc/79/50/23/409795023.db2.gz SDIBAOJDYKJORW-QMMMGPOBSA-N 1 2 166.199 1.630 20 0 ADADLO F[C@@H]1CCN(c2cccc[nH+]2)C1 336188988 409795782 /nfs/dbraw/zinc/79/57/82/409795782.db2.gz SDIBAOJDYKJORW-MRVPVSSYSA-N 1 2 166.199 1.630 20 0 ADADLO CC(F)(F)C[NH2+]CC1=CCCOC1 378734861 409799266 /nfs/dbraw/zinc/79/92/66/409799266.db2.gz FUDVOMSXUHAGKB-UHFFFAOYSA-N 1 2 191.221 1.578 20 0 ADADLO CCC[C@@H](C[NH2+]Cc1ccn[nH]1)OC 378784510 409801670 /nfs/dbraw/zinc/80/16/70/409801670.db2.gz OUGPSZQVVMTDAW-JTQLQIEISA-N 1 2 197.282 1.314 20 0 ADADLO CC(F)(F)C[NH2+]Cc1ccncc1 378792113 409801939 /nfs/dbraw/zinc/80/19/39/409801939.db2.gz NKCGYEWLEUECTF-UHFFFAOYSA-N 1 2 186.205 1.826 20 0 ADADLO CCC[C@H](C[NH2+]Cc1ccn[nH]1)OC 378784514 409802559 /nfs/dbraw/zinc/80/25/59/409802559.db2.gz OUGPSZQVVMTDAW-SNVBAGLBSA-N 1 2 197.282 1.314 20 0 ADADLO OC1(CCOCc2[nH]cc[nH+]2)CCC1 664033170 409806824 /nfs/dbraw/zinc/80/68/24/409806824.db2.gz MSBMZNRZOVEUFR-UHFFFAOYSA-N 1 2 196.250 1.231 20 0 ADADLO OC1(CCOc2cc[nH+]cc2)CCC1 664014747 409807197 /nfs/dbraw/zinc/80/71/97/409807197.db2.gz DNTUGIXHFSCHEO-UHFFFAOYSA-N 1 2 193.246 1.766 20 0 ADADLO Cc1ncn(Cc2ccc[nH+]c2C)n1 664083239 409816047 /nfs/dbraw/zinc/81/60/47/409816047.db2.gz IOGAAQNECKYDEC-UHFFFAOYSA-N 1 2 188.234 1.338 20 0 ADADLO CC[C@@H](CO)N(C)c1cccc[nH+]1 379132812 409818341 /nfs/dbraw/zinc/81/83/41/409818341.db2.gz BPAPMFKBZLYMDQ-VIFPVBQESA-N 1 2 180.251 1.289 20 0 ADADLO CC[C@H](CO)N(C)c1cccc[nH+]1 379132807 409819006 /nfs/dbraw/zinc/81/90/06/409819006.db2.gz BPAPMFKBZLYMDQ-SECBINFHSA-N 1 2 180.251 1.289 20 0 ADADLO CC(F)(F)CC[NH2+]Cc1ccn[nH]1 379210534 409819468 /nfs/dbraw/zinc/81/94/68/409819468.db2.gz DNHKBEIWCQMYDS-UHFFFAOYSA-N 1 2 189.209 1.545 20 0 ADADLO Cc1nc(C[NH2+][C@@H](C)CF)cs1 379313775 409823072 /nfs/dbraw/zinc/82/30/72/409823072.db2.gz JUDINFIDRUWXOE-LURJTMIESA-N 1 2 188.271 1.899 20 0 ADADLO FCCOCCNc1cccc[nH+]1 664674188 409830895 /nfs/dbraw/zinc/83/08/95/409830895.db2.gz FLLMHLYIFPHKCH-UHFFFAOYSA-N 1 2 184.214 1.480 20 0 ADADLO C[C@@H](Nc1cccc[nH+]1)C1(CO)CC1 664269602 409825150 /nfs/dbraw/zinc/82/51/50/409825150.db2.gz ACDXHBOVDCMAKC-SECBINFHSA-N 1 2 192.262 1.655 20 0 ADADLO CO[C@@H](C)COc1cc[nH+]cc1 379331786 409825351 /nfs/dbraw/zinc/82/53/51/409825351.db2.gz FBTDTRRTVSQGHF-QMMMGPOBSA-N 1 2 167.208 1.495 20 0 ADADLO CC(C)OC[C@H](C)[NH2+]CC(F)F 379323970 409825366 /nfs/dbraw/zinc/82/53/66/409825366.db2.gz UWMDYPOZEGYENX-ZETCQYMHSA-N 1 2 181.226 1.655 20 0 ADADLO C[N@H+](CC(F)F)C1(CO)CCC1 379330342 409825689 /nfs/dbraw/zinc/82/56/89/409825689.db2.gz AMNLUONJYPULOS-UHFFFAOYSA-N 1 2 179.210 1.098 20 0 ADADLO C[N@@H+](CC(F)F)C1(CO)CCC1 379330342 409825693 /nfs/dbraw/zinc/82/56/93/409825693.db2.gz AMNLUONJYPULOS-UHFFFAOYSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@H](Nc1cccc[nH+]1)C1(CO)CC1 664269606 409825724 /nfs/dbraw/zinc/82/57/24/409825724.db2.gz ACDXHBOVDCMAKC-VIFPVBQESA-N 1 2 192.262 1.655 20 0 ADADLO CO[C@H](C)COc1cc[nH+]cc1 379331784 409826066 /nfs/dbraw/zinc/82/60/66/409826066.db2.gz FBTDTRRTVSQGHF-MRVPVSSYSA-N 1 2 167.208 1.495 20 0 ADADLO CC(C)OC[C@@H](C)[NH2+]CC(F)F 379323969 409826470 /nfs/dbraw/zinc/82/64/70/409826470.db2.gz UWMDYPOZEGYENX-SSDOTTSWSA-N 1 2 181.226 1.655 20 0 ADADLO COCC(C)(C)[N@H+](C)CC(F)F 379326370 409826683 /nfs/dbraw/zinc/82/66/83/409826683.db2.gz HPCQDHMEBWRNJO-UHFFFAOYSA-N 1 2 181.226 1.608 20 0 ADADLO COCC(C)(C)[N@@H+](C)CC(F)F 379326370 409826689 /nfs/dbraw/zinc/82/66/89/409826689.db2.gz HPCQDHMEBWRNJO-UHFFFAOYSA-N 1 2 181.226 1.608 20 0 ADADLO Cc1cc(N2CC[C@H]3C[C@H]3C2)nc[nH+]1 664522174 409827596 /nfs/dbraw/zinc/82/75/96/409827596.db2.gz FJXVXJQYAASHHJ-UWVGGRQHSA-N 1 2 189.262 1.631 20 0 ADADLO Cc1cc(NC2([C@@H](C)O)CC2)nc[nH+]1 664548616 409827749 /nfs/dbraw/zinc/82/77/49/409827749.db2.gz DHCUQVYDTQEGPN-MRVPVSSYSA-N 1 2 193.250 1.110 20 0 ADADLO Cc1nc(N2CC[C@@H]3C[C@@H]3C2)cc[nH+]1 664523864 409827968 /nfs/dbraw/zinc/82/79/68/409827968.db2.gz JYSFSVDHGUCUPH-NXEZZACHSA-N 1 2 189.262 1.631 20 0 ADADLO Cc1nc(NC2([C@@H](C)O)CC2)cc[nH+]1 664552375 409827997 /nfs/dbraw/zinc/82/79/97/409827997.db2.gz XNMSLYVLPKGZHI-SSDOTTSWSA-N 1 2 193.250 1.110 20 0 ADADLO Cc1nc(NC2([C@H](C)O)CC2)cc[nH+]1 664552376 409828055 /nfs/dbraw/zinc/82/80/55/409828055.db2.gz XNMSLYVLPKGZHI-ZETCQYMHSA-N 1 2 193.250 1.110 20 0 ADADLO Cc1nc(N2CC[C@H]3C[C@H]3C2)cc[nH+]1 664523865 409828125 /nfs/dbraw/zinc/82/81/25/409828125.db2.gz JYSFSVDHGUCUPH-UWVGGRQHSA-N 1 2 189.262 1.631 20 0 ADADLO Cc1cc(N2CC[C@@H]3C[C@@H]3C2)nc[nH+]1 664522173 409828368 /nfs/dbraw/zinc/82/83/68/409828368.db2.gz FJXVXJQYAASHHJ-NXEZZACHSA-N 1 2 189.262 1.631 20 0 ADADLO c1ccc(N2CC[C@H]3C[C@H]3C2)[nH+]c1 664523599 409828536 /nfs/dbraw/zinc/82/85/36/409828536.db2.gz TVAYLIZZNFTQFK-UWVGGRQHSA-N 1 2 174.247 1.928 20 0 ADADLO C[C@@H](O)[C@H]1CCCN1c1cccc[nH+]1 664440706 409828555 /nfs/dbraw/zinc/82/85/55/409828555.db2.gz GMHHVSVTDBLGTA-NXEZZACHSA-N 1 2 192.262 1.431 20 0 ADADLO Cc1cc(NC2([C@H](C)O)CC2)nc[nH+]1 664548617 409828674 /nfs/dbraw/zinc/82/86/74/409828674.db2.gz DHCUQVYDTQEGPN-QMMMGPOBSA-N 1 2 193.250 1.110 20 0 ADADLO c1ccc(N2CC[C@@H]3C[C@@H]3C2)[nH+]c1 664523597 409828895 /nfs/dbraw/zinc/82/88/95/409828895.db2.gz TVAYLIZZNFTQFK-NXEZZACHSA-N 1 2 174.247 1.928 20 0 ADADLO C[C@H](O)[C@H]1CCCN1c1cccc[nH+]1 664440707 409829109 /nfs/dbraw/zinc/82/91/09/409829109.db2.gz GMHHVSVTDBLGTA-VHSXEESVSA-N 1 2 192.262 1.431 20 0 ADADLO Cc1nc(NCCOCCF)cc[nH+]1 664674244 409830825 /nfs/dbraw/zinc/83/08/25/409830825.db2.gz INMKLAMCCNXKEB-UHFFFAOYSA-N 1 2 199.229 1.183 20 0 ADADLO CO[C@@]1(C)C[C@H]1Nc1cc[nH+]c(C)n1 664605183 409830885 /nfs/dbraw/zinc/83/08/85/409830885.db2.gz OGPZMVWUTJAFSI-SCZZXKLOSA-N 1 2 193.250 1.374 20 0 ADADLO O[C@H]1C[C@H](Nc2cccc[nH+]2)C1 664644646 409831209 /nfs/dbraw/zinc/83/12/09/409831209.db2.gz SRJRLBRUNLEZKF-ZKCHVHJHSA-N 1 2 164.208 1.017 20 0 ADADLO Cc1cc(NCCOCCF)nc[nH+]1 664675548 409831309 /nfs/dbraw/zinc/83/13/09/409831309.db2.gz LGWSGZPTFZVCMX-UHFFFAOYSA-N 1 2 199.229 1.183 20 0 ADADLO CO[C@@]1(C)C[C@H]1Nc1cc(C)[nH+]cn1 664603097 409831629 /nfs/dbraw/zinc/83/16/29/409831629.db2.gz PKKAPDYCBBCCIF-SCZZXKLOSA-N 1 2 193.250 1.374 20 0 ADADLO Cc1nc(Cc2c[nH+]ccc2C)no1 664979032 409834232 /nfs/dbraw/zinc/83/42/32/409834232.db2.gz SNGHRXOCGJPVEQ-UHFFFAOYSA-N 1 2 189.218 1.672 20 0 ADADLO CC(=O)CSCc1cc[nH+]c(N)c1 379404919 409843608 /nfs/dbraw/zinc/84/36/08/409843608.db2.gz SDCPRADOYKHBKY-UHFFFAOYSA-N 1 2 196.275 1.486 20 0 ADADLO COC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 379586952 409852046 /nfs/dbraw/zinc/85/20/46/409852046.db2.gz RQNWATBUGVHSKQ-RNFRBKRXSA-N 1 2 199.254 1.064 20 0 ADADLO COC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 379586951 409852197 /nfs/dbraw/zinc/85/21/97/409852197.db2.gz RQNWATBUGVHSKQ-NKWVEPMBSA-N 1 2 199.254 1.064 20 0 ADADLO C1=C(C[NH2+]Cc2ccn[nH]2)CCCC1 379578583 409852573 /nfs/dbraw/zinc/85/25/73/409852573.db2.gz COFBDOSZASRESI-UHFFFAOYSA-N 1 2 191.278 2.000 20 0 ADADLO COC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 379586950 409852997 /nfs/dbraw/zinc/85/29/97/409852997.db2.gz RQNWATBUGVHSKQ-BQBZGAKWSA-N 1 2 199.254 1.064 20 0 ADADLO COC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 379586953 409853511 /nfs/dbraw/zinc/85/35/11/409853511.db2.gz RQNWATBUGVHSKQ-RQJHMYQMSA-N 1 2 199.254 1.064 20 0 ADADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(F)F 665269056 409864019 /nfs/dbraw/zinc/86/40/19/409864019.db2.gz DFZAWHPYMXEYKT-JGVFFNPUSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(F)F 665269056 409864029 /nfs/dbraw/zinc/86/40/29/409864029.db2.gz DFZAWHPYMXEYKT-JGVFFNPUSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(F)F 665269055 409864457 /nfs/dbraw/zinc/86/44/57/409864457.db2.gz DFZAWHPYMXEYKT-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(F)F 665269055 409864463 /nfs/dbraw/zinc/86/44/63/409864463.db2.gz DFZAWHPYMXEYKT-HTQZYQBOSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(F)F 665269058 409865047 /nfs/dbraw/zinc/86/50/47/409865047.db2.gz DFZAWHPYMXEYKT-YUMQZZPRSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@H]1[C@H](CO)CCC[N@H+]1CC(F)F 665269058 409865051 /nfs/dbraw/zinc/86/50/51/409865051.db2.gz DFZAWHPYMXEYKT-YUMQZZPRSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(F)F 665269057 409865872 /nfs/dbraw/zinc/86/58/72/409865872.db2.gz DFZAWHPYMXEYKT-SFYZADRCSA-N 1 2 193.237 1.344 20 0 ADADLO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(F)F 665269057 409865877 /nfs/dbraw/zinc/86/58/77/409865877.db2.gz DFZAWHPYMXEYKT-SFYZADRCSA-N 1 2 193.237 1.344 20 0 ADADLO CC(F)(F)C[NH2+]Cc1cncs1 382142162 409893046 /nfs/dbraw/zinc/89/30/46/409893046.db2.gz MXUQWYJFTXFQIJ-UHFFFAOYSA-N 1 2 192.234 1.888 20 0 ADADLO Cc1n[nH]cc1C[NH2+]CC(C)(F)F 382171145 409893241 /nfs/dbraw/zinc/89/32/41/409893241.db2.gz WJZDWMVJZKHXJQ-UHFFFAOYSA-N 1 2 189.209 1.463 20 0 ADADLO CC(F)(F)C[NH2+]Cc1cccnc1 382162660 409895223 /nfs/dbraw/zinc/89/52/23/409895223.db2.gz TWJXYSMVMMQPRY-UHFFFAOYSA-N 1 2 186.205 1.826 20 0 ADADLO Cn1nccc1C[NH2+]CC(C)(F)F 382320408 409900379 /nfs/dbraw/zinc/90/03/79/409900379.db2.gz SWPRECKOMFFSLT-UHFFFAOYSA-N 1 2 189.209 1.165 20 0 ADADLO Cn1cc(C[NH2+]CC(C)(F)F)cn1 382396570 409904096 /nfs/dbraw/zinc/90/40/96/409904096.db2.gz ODHBQYHLRHFPCE-UHFFFAOYSA-N 1 2 189.209 1.165 20 0 ADADLO C[C@@H](CCCO)CNc1cccc[nH+]1 384346186 409911372 /nfs/dbraw/zinc/91/13/72/409911372.db2.gz DAXFVHHRSRNFCG-JTQLQIEISA-N 1 2 194.278 1.902 20 0 ADADLO C[C@H](CCCO)CNc1cccc[nH+]1 384346187 409911545 /nfs/dbraw/zinc/91/15/45/409911545.db2.gz DAXFVHHRSRNFCG-SNVBAGLBSA-N 1 2 194.278 1.902 20 0 ADADLO CC/C=C\CNc1cc(C)[nH+]cn1 384895707 409919508 /nfs/dbraw/zinc/91/95/08/409919508.db2.gz VDVMOIZRHWXNQL-PLNGDYQASA-N 1 2 177.251 1.585 20 0 ADADLO CCC=CC[NH2+]Cc1ccn[nH]1 385050485 409925309 /nfs/dbraw/zinc/92/53/09/409925309.db2.gz SNFLUWMXDXFBND-ARJAWSKDSA-N 1 2 165.240 1.466 20 0 ADADLO CCC=CC[NH2+]Cc1ccn[nH]1 385050488 409925962 /nfs/dbraw/zinc/92/59/62/409925962.db2.gz SNFLUWMXDXFBND-ONEGZZNKSA-N 1 2 165.240 1.466 20 0 ADADLO CC/C=C\C[NH2+]Cc1cn[nH]c1C 385146640 409927884 /nfs/dbraw/zinc/92/78/84/409927884.db2.gz JJWYFMLZXQKYNC-PLNGDYQASA-N 1 2 179.267 1.774 20 0 ADADLO CC/C=C/C[NH2+]Cc1cn[nH]c1C 385146645 409928060 /nfs/dbraw/zinc/92/80/60/409928060.db2.gz JJWYFMLZXQKYNC-SNAWJCMRSA-N 1 2 179.267 1.774 20 0 ADADLO CC/C=C/C[NH2+]Cc1csnn1 385246336 409928222 /nfs/dbraw/zinc/92/82/22/409928222.db2.gz WIUADLBLUBXIEP-ONEGZZNKSA-N 1 2 183.280 1.594 20 0 ADADLO CC/C=C\C[NH2+]Cc1csnn1 385246333 409928328 /nfs/dbraw/zinc/92/83/28/409928328.db2.gz WIUADLBLUBXIEP-ARJAWSKDSA-N 1 2 183.280 1.594 20 0 ADADLO CC(C)(CO)CCNc1cccc[nH+]1 385783751 409931562 /nfs/dbraw/zinc/93/15/62/409931562.db2.gz MGXVNDSUIIQBAX-UHFFFAOYSA-N 1 2 194.278 1.902 20 0 ADADLO CCOCCCOc1cc[nH+]cc1 388251498 409949026 /nfs/dbraw/zinc/94/90/26/409949026.db2.gz WXJYARNDEJIDLN-UHFFFAOYSA-N 1 2 181.235 1.887 20 0 ADADLO COCC(COC)Nc1cccc[nH+]1 388399716 409953985 /nfs/dbraw/zinc/95/39/85/409953985.db2.gz MJFXPFDHILALEC-UHFFFAOYSA-N 1 2 196.250 1.155 20 0 ADADLO CO[C@@H](C)CCNc1cc[nH+]c(C)n1 389222086 409966409 /nfs/dbraw/zinc/96/64/09/409966409.db2.gz NUEXFYHPXPAOCL-QMMMGPOBSA-N 1 2 195.266 1.622 20 0 ADADLO CO[C@H](C)CCNc1cc[nH+]c(C)n1 389222085 409966757 /nfs/dbraw/zinc/96/67/57/409966757.db2.gz NUEXFYHPXPAOCL-MRVPVSSYSA-N 1 2 195.266 1.622 20 0 ADADLO CC(F)(F)C[NH2+]Cc1cc[nH]c1 393441028 409982733 /nfs/dbraw/zinc/98/27/33/409982733.db2.gz NSCCPTDQRGZQRO-UHFFFAOYSA-N 1 2 174.194 1.760 20 0 ADADLO Cn1c[nH+]cc1CNCC(C)(F)F 393477309 409985478 /nfs/dbraw/zinc/98/54/78/409985478.db2.gz INDXFXIRVQVEQW-UHFFFAOYSA-N 1 2 189.209 1.165 20 0 ADADLO Cn1ccc(C[NH2+]CC(C)(F)F)c1 393502141 409985684 /nfs/dbraw/zinc/98/56/84/409985684.db2.gz VHSSIWSYRUGILV-UHFFFAOYSA-N 1 2 188.221 1.770 20 0 ADADLO CCOCC(C)(C)[NH2+]CC(F)F 393512310 409985813 /nfs/dbraw/zinc/98/58/13/409985813.db2.gz YQQVTGUCXUWGNP-UHFFFAOYSA-N 1 2 181.226 1.656 20 0 ADADLO CC[N@H+](C)Cc1nncn1C(C)C 393567797 409988110 /nfs/dbraw/zinc/98/81/10/409988110.db2.gz PMCGMOSVTOVDMP-UHFFFAOYSA-N 1 2 182.271 1.311 20 0 ADADLO CC[N@@H+](C)Cc1nncn1C(C)C 393567797 409988114 /nfs/dbraw/zinc/98/81/14/409988114.db2.gz PMCGMOSVTOVDMP-UHFFFAOYSA-N 1 2 182.271 1.311 20 0 ADADLO CC(F)(F)CNCc1[nH]cc[nH+]1 393526995 409988271 /nfs/dbraw/zinc/98/82/71/409988271.db2.gz UDBVEIGELJNAPT-UHFFFAOYSA-N 1 2 175.182 1.155 20 0 ADADLO CC1(C)CC[C@H]1[NH2+]CC(F)(F)CN 393720386 409990362 /nfs/dbraw/zinc/99/03/62/409990362.db2.gz GXXQHYKDBFHBRQ-SSDOTTSWSA-N 1 2 192.253 1.359 20 0 ADADLO CC1(C)CC[C@@H]1[NH2+]CC(F)(F)CN 393720390 409991246 /nfs/dbraw/zinc/99/12/46/409991246.db2.gz GXXQHYKDBFHBRQ-ZETCQYMHSA-N 1 2 192.253 1.359 20 0 ADADLO CC/C=C\CNc1cc(CC)[nH+]cn1 395177216 410001449 /nfs/dbraw/zinc/00/14/49/410001449.db2.gz RWYOLJRPLRUVLH-WAYWQWQTSA-N 1 2 191.278 1.839 20 0 ADADLO CC/C=C/CNc1cc(CC)[nH+]cn1 395177215 410003124 /nfs/dbraw/zinc/00/31/24/410003124.db2.gz RWYOLJRPLRUVLH-AATRIKPKSA-N 1 2 191.278 1.839 20 0 ADADLO CC/C=C\CNc1cc[nH+]c(C)n1 395191463 410004586 /nfs/dbraw/zinc/00/45/86/410004586.db2.gz WSEUHLTVRMOQQD-PLNGDYQASA-N 1 2 177.251 1.585 20 0 ADADLO OCC1(CCNc2cccc[nH+]2)CC1 395790828 410007115 /nfs/dbraw/zinc/00/71/15/410007115.db2.gz HNIOKJLYYCEWKW-UHFFFAOYSA-N 1 2 192.262 1.656 20 0 ADADLO C[C@@H](CCO)CCNc1cccc[nH+]1 397854867 410018177 /nfs/dbraw/zinc/01/81/77/410018177.db2.gz BYRHSDSCMXKENF-SNVBAGLBSA-N 1 2 194.278 1.902 20 0 ADADLO C[C@H](CCO)CCNc1cccc[nH+]1 397854866 410018625 /nfs/dbraw/zinc/01/86/25/410018625.db2.gz BYRHSDSCMXKENF-JTQLQIEISA-N 1 2 194.278 1.902 20 0 ADADLO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nn1 398309555 410019462 /nfs/dbraw/zinc/01/94/62/410019462.db2.gz XBXXVNDJTWIEOK-SCZZXKLOSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]n1 398309555 410019469 /nfs/dbraw/zinc/01/94/69/410019469.db2.gz XBXXVNDJTWIEOK-SCZZXKLOSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nn1 398309556 410021622 /nfs/dbraw/zinc/02/16/22/410021622.db2.gz XBXXVNDJTWIEOK-WCBMZHEXSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@H]1CCC[C@H]1[NH2+]Cc1cn[nH]n1 398309556 410021627 /nfs/dbraw/zinc/02/16/27/410021627.db2.gz XBXXVNDJTWIEOK-WCBMZHEXSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nn1 398309553 410021717 /nfs/dbraw/zinc/02/17/17/410021717.db2.gz XBXXVNDJTWIEOK-PSASIEDQSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cn[nH]n1 398309553 410021724 /nfs/dbraw/zinc/02/17/24/410021724.db2.gz XBXXVNDJTWIEOK-PSASIEDQSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nn1 398309558 410022157 /nfs/dbraw/zinc/02/21/57/410022157.db2.gz XBXXVNDJTWIEOK-WPRPVWTQSA-N 1 2 194.282 1.473 20 0 ADADLO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cn[nH]n1 398309558 410022161 /nfs/dbraw/zinc/02/21/61/410022161.db2.gz XBXXVNDJTWIEOK-WPRPVWTQSA-N 1 2 194.282 1.473 20 0 ADADLO Cc1cncc(CCn2cc[nH+]c2)n1 402643552 410035315 /nfs/dbraw/zinc/03/53/15/410035315.db2.gz DSIBCFMZFKDPST-UHFFFAOYSA-N 1 2 188.234 1.224 20 0 ADADLO CC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 405079465 410042391 /nfs/dbraw/zinc/04/23/91/410042391.db2.gz ONTFRAMUXJNLIU-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@@H](O)CC[N@@H+]1CCCC(F)(F)C1 405086021 410041649 /nfs/dbraw/zinc/04/16/49/410041649.db2.gz SPNDXOSABDQBAK-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@@H](O)CC[N@H+]1CCCC(F)(F)C1 405086021 410041654 /nfs/dbraw/zinc/04/16/54/410041654.db2.gz SPNDXOSABDQBAK-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@H](O)C[N@@H+]1CCCC(F)(F)C1 405084578 410041683 /nfs/dbraw/zinc/04/16/83/410041683.db2.gz RQGRPCKPROQXJJ-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@H](O)C[N@H+]1CCCC(F)(F)C1 405084578 410041688 /nfs/dbraw/zinc/04/16/88/410041688.db2.gz RQGRPCKPROQXJJ-ZETCQYMHSA-N 1 2 179.210 1.098 20 0 ADADLO CC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 405079467 410042036 /nfs/dbraw/zinc/04/20/36/410042036.db2.gz ONTFRAMUXJNLIU-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO CC[C@H](O)C[N@H+]1CCCC(F)(F)C1 405079467 410042039 /nfs/dbraw/zinc/04/20/39/410042039.db2.gz ONTFRAMUXJNLIU-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 405084577 410042134 /nfs/dbraw/zinc/04/21/34/410042134.db2.gz RQGRPCKPROQXJJ-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@@H](O)C[N@H+]1CCCC(F)(F)C1 405084577 410042136 /nfs/dbraw/zinc/04/21/36/410042136.db2.gz RQGRPCKPROQXJJ-SSDOTTSWSA-N 1 2 179.210 1.098 20 0 ADADLO C[C@@H](CO)C[N@@H+]1CCCC(F)(F)C1 405094056 410042268 /nfs/dbraw/zinc/04/22/68/410042268.db2.gz YCMDWNLCPSXBCF-MRVPVSSYSA-N 1 2 193.237 1.346 20 0 ADADLO C[C@@H](CO)C[N@H+]1CCCC(F)(F)C1 405094056 410042273 /nfs/dbraw/zinc/04/22/73/410042273.db2.gz YCMDWNLCPSXBCF-MRVPVSSYSA-N 1 2 193.237 1.346 20 0 ADADLO CC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 405079465 410042388 /nfs/dbraw/zinc/04/23/88/410042388.db2.gz ONTFRAMUXJNLIU-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@H](CO)C[N@@H+]1CCCC(F)(F)C1 405094057 410042483 /nfs/dbraw/zinc/04/24/83/410042483.db2.gz YCMDWNLCPSXBCF-QMMMGPOBSA-N 1 2 193.237 1.346 20 0 ADADLO C[C@H](CO)C[N@H+]1CCCC(F)(F)C1 405094057 410042489 /nfs/dbraw/zinc/04/24/89/410042489.db2.gz YCMDWNLCPSXBCF-QMMMGPOBSA-N 1 2 193.237 1.346 20 0 ADADLO C[C@H](O)CC[N@@H+]1CCCC(F)(F)C1 405086028 410042930 /nfs/dbraw/zinc/04/29/30/410042930.db2.gz SPNDXOSABDQBAK-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO C[C@H](O)CC[N@H+]1CCCC(F)(F)C1 405086028 410042938 /nfs/dbraw/zinc/04/29/38/410042938.db2.gz SPNDXOSABDQBAK-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO CCCCc1cc(NCCO)nc[nH+]1 631030100 410148000 /nfs/dbraw/zinc/14/80/00/410148000.db2.gz JRTGMLGISHRSPJ-UHFFFAOYSA-N 1 2 195.266 1.223 20 0 ADADLO CNc1ccc(-c2cnn(C)c2)c[nH+]1 629691642 410148139 /nfs/dbraw/zinc/14/81/39/410148139.db2.gz ZXKVDMAGZUVRFC-UHFFFAOYSA-N 1 2 188.234 1.524 20 0 ADADLO CNc1ccc(-c2cncnc2)c[nH+]1 629713242 410148948 /nfs/dbraw/zinc/14/89/48/410148948.db2.gz AJKRTTFEUIZKTB-UHFFFAOYSA-N 1 2 186.218 1.580 20 0 ADADLO CC(C)CCNc1cc(CO)cc[nH+]1 641251913 410155963 /nfs/dbraw/zinc/15/59/63/410155963.db2.gz HLMUICHYSMMDRX-UHFFFAOYSA-N 1 2 194.278 2.032 20 0 ADADLO CCCCNc1cc(CO)cc[nH+]1 641250240 410155984 /nfs/dbraw/zinc/15/59/84/410155984.db2.gz NFCQCDLTSLDDKG-UHFFFAOYSA-N 1 2 180.251 1.786 20 0 ADADLO CCCCCNc1cc(CO)cc[nH+]1 641250035 410156231 /nfs/dbraw/zinc/15/62/31/410156231.db2.gz OPFCPTNMZYNBNK-UHFFFAOYSA-N 1 2 194.278 2.176 20 0 ADADLO OCc1cc[nH+]c(NCCC2CC2)c1 641402787 410157818 /nfs/dbraw/zinc/15/78/18/410157818.db2.gz LNJWTYJVGNNHKO-UHFFFAOYSA-N 1 2 192.262 1.786 20 0 ADADLO CC(C)=CCNc1cc(CO)cc[nH+]1 641528925 410158440 /nfs/dbraw/zinc/15/84/40/410158440.db2.gz SYGSAIXRQGPVDF-UHFFFAOYSA-N 1 2 192.262 1.952 20 0 ADADLO CC/C=C\CNc1cc(CO)cc[nH+]1 641617523 410160136 /nfs/dbraw/zinc/16/01/36/410160136.db2.gz JYYBGAOEHWBFSK-ARJAWSKDSA-N 1 2 192.262 1.952 20 0 ADADLO CC/C=C/CNc1cc(CO)cc[nH+]1 641617524 410160208 /nfs/dbraw/zinc/16/02/08/410160208.db2.gz JYYBGAOEHWBFSK-ONEGZZNKSA-N 1 2 192.262 1.952 20 0 ADADLO CCC[N@@H+](C)[C@@H](C)c1csnn1 649271382 410183883 /nfs/dbraw/zinc/18/38/83/410183883.db2.gz WUCLMSLWDMXYCS-ZETCQYMHSA-N 1 2 185.296 1.941 20 0 ADADLO CC[NH+](CC)[C@H](C)c1csnn1 649240978 410179518 /nfs/dbraw/zinc/17/95/18/410179518.db2.gz ALQWWRUHGJNPMM-SSDOTTSWSA-N 1 2 185.296 1.941 20 0 ADADLO C[C@H](c1csnn1)[N@H+](C)CC1CC1 649250042 410179895 /nfs/dbraw/zinc/17/98/95/410179895.db2.gz GUYYQJCDLBNDGN-SSDOTTSWSA-N 1 2 197.307 1.941 20 0 ADADLO C[C@H](c1csnn1)[N@@H+](C)CC1CC1 649250042 410179899 /nfs/dbraw/zinc/17/98/99/410179899.db2.gz GUYYQJCDLBNDGN-SSDOTTSWSA-N 1 2 197.307 1.941 20 0 ADADLO CC[N@H+](Cc1cnns1)C1CC1 649244661 410179945 /nfs/dbraw/zinc/17/99/45/410179945.db2.gz PDJZYOILUZSMET-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO CC[N@@H+](Cc1cnns1)C1CC1 649244661 410179949 /nfs/dbraw/zinc/17/99/49/410179949.db2.gz PDJZYOILUZSMET-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO CC(C)CC[N@H+](C)Cc1cnn[nH]1 649251462 410180543 /nfs/dbraw/zinc/18/05/43/410180543.db2.gz PCLUYXRDCRLEFU-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CC(C)CC[N@@H+](C)Cc1cnn[nH]1 649251462 410180546 /nfs/dbraw/zinc/18/05/46/410180546.db2.gz PCLUYXRDCRLEFU-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CC(C)CC[N@H+](C)Cc1c[nH]nn1 649251462 410180550 /nfs/dbraw/zinc/18/05/50/410180550.db2.gz PCLUYXRDCRLEFU-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CC(C)CC[N@@H+](C)Cc1c[nH]nn1 649251462 410180555 /nfs/dbraw/zinc/18/05/55/410180555.db2.gz PCLUYXRDCRLEFU-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CC(C)CC[N@H+](C)Cc1cn[nH]n1 649251462 410180557 /nfs/dbraw/zinc/18/05/57/410180557.db2.gz PCLUYXRDCRLEFU-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CC(C)CC[N@@H+](C)Cc1cn[nH]n1 649251462 410180562 /nfs/dbraw/zinc/18/05/62/410180562.db2.gz PCLUYXRDCRLEFU-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO C[C@@H](c1csnn1)[N@H+](C)CC1CC1 649250043 410180917 /nfs/dbraw/zinc/18/09/17/410180917.db2.gz GUYYQJCDLBNDGN-ZETCQYMHSA-N 1 2 197.307 1.941 20 0 ADADLO C[C@@H](c1csnn1)[N@@H+](C)CC1CC1 649250043 410180923 /nfs/dbraw/zinc/18/09/23/410180923.db2.gz GUYYQJCDLBNDGN-ZETCQYMHSA-N 1 2 197.307 1.941 20 0 ADADLO CC[NH+](CC)[C@@H](C)c1csnn1 649240979 410181302 /nfs/dbraw/zinc/18/13/02/410181302.db2.gz ALQWWRUHGJNPMM-ZETCQYMHSA-N 1 2 185.296 1.941 20 0 ADADLO CCC[N@H+](C)[C@@H](C)c1csnn1 649271382 410183882 /nfs/dbraw/zinc/18/38/82/410183882.db2.gz WUCLMSLWDMXYCS-ZETCQYMHSA-N 1 2 185.296 1.941 20 0 ADADLO C[N@H+](Cc1cnn[nH]1)CC(C)(C)C 649281007 410183927 /nfs/dbraw/zinc/18/39/27/410183927.db2.gz XFWVINMSIUSXOE-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO C[N@@H+](Cc1cnn[nH]1)CC(C)(C)C 649281007 410183932 /nfs/dbraw/zinc/18/39/32/410183932.db2.gz XFWVINMSIUSXOE-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO C[N@H+](Cc1c[nH]nn1)CC(C)(C)C 649281007 410183936 /nfs/dbraw/zinc/18/39/36/410183936.db2.gz XFWVINMSIUSXOE-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO C[N@@H+](Cc1c[nH]nn1)CC(C)(C)C 649281007 410183939 /nfs/dbraw/zinc/18/39/39/410183939.db2.gz XFWVINMSIUSXOE-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO C[N@H+](Cc1cn[nH]n1)CC(C)(C)C 649281007 410183942 /nfs/dbraw/zinc/18/39/42/410183942.db2.gz XFWVINMSIUSXOE-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO C[N@@H+](Cc1cn[nH]n1)CC(C)(C)C 649281007 410183945 /nfs/dbraw/zinc/18/39/45/410183945.db2.gz XFWVINMSIUSXOE-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO CCC[N@H+](C)[C@H](C)c1csnn1 649271380 410184015 /nfs/dbraw/zinc/18/40/15/410184015.db2.gz WUCLMSLWDMXYCS-SSDOTTSWSA-N 1 2 185.296 1.941 20 0 ADADLO CCC[N@@H+](C)[C@H](C)c1csnn1 649271380 410184018 /nfs/dbraw/zinc/18/40/18/410184018.db2.gz WUCLMSLWDMXYCS-SSDOTTSWSA-N 1 2 185.296 1.941 20 0 ADADLO CC[N@@H+](Cc1cn[nH]n1)CC1CC1 649309634 410187365 /nfs/dbraw/zinc/18/73/65/410187365.db2.gz DUOTZAYTJVQPKQ-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC[N@H+](Cc1cn[nH]n1)CC1CC1 649309634 410187369 /nfs/dbraw/zinc/18/73/69/410187369.db2.gz DUOTZAYTJVQPKQ-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO CC[C@@H](C)C[N@H+](C)Cc1c[nH]nn1 649307597 410187624 /nfs/dbraw/zinc/18/76/24/410187624.db2.gz HVXUFRZDKJSYND-MRVPVSSYSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@@H](C)C[N@@H+](C)Cc1c[nH]nn1 649307597 410187626 /nfs/dbraw/zinc/18/76/26/410187626.db2.gz HVXUFRZDKJSYND-MRVPVSSYSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@@H](C)C[N@H+](C)Cc1cn[nH]n1 649307597 410187629 /nfs/dbraw/zinc/18/76/29/410187629.db2.gz HVXUFRZDKJSYND-MRVPVSSYSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@@H](C)C[N@@H+](C)Cc1cn[nH]n1 649307597 410187631 /nfs/dbraw/zinc/18/76/31/410187631.db2.gz HVXUFRZDKJSYND-MRVPVSSYSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@H](C)C[N@H+](C)Cc1c[nH]nn1 649307598 410187780 /nfs/dbraw/zinc/18/77/80/410187780.db2.gz HVXUFRZDKJSYND-QMMMGPOBSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@H](C)C[N@@H+](C)Cc1c[nH]nn1 649307598 410187783 /nfs/dbraw/zinc/18/77/83/410187783.db2.gz HVXUFRZDKJSYND-QMMMGPOBSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@H](C)C[N@H+](C)Cc1cn[nH]n1 649307598 410187786 /nfs/dbraw/zinc/18/77/86/410187786.db2.gz HVXUFRZDKJSYND-QMMMGPOBSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@H](C)C[N@@H+](C)Cc1cn[nH]n1 649307598 410187788 /nfs/dbraw/zinc/18/77/88/410187788.db2.gz HVXUFRZDKJSYND-QMMMGPOBSA-N 1 2 182.271 1.283 20 0 ADADLO CC[C@@H](C)C[N@H+](CC)Cc1cn[nH]n1 649337628 410189817 /nfs/dbraw/zinc/18/98/17/410189817.db2.gz YEOBVLOUPSSLBZ-SECBINFHSA-N 1 2 196.298 1.673 20 0 ADADLO CC[C@@H](C)C[N@@H+](CC)Cc1cn[nH]n1 649337628 410189823 /nfs/dbraw/zinc/18/98/23/410189823.db2.gz YEOBVLOUPSSLBZ-SECBINFHSA-N 1 2 196.298 1.673 20 0 ADADLO CC[C@H](C)C[N@H+](CC)Cc1cn[nH]n1 649337629 410191050 /nfs/dbraw/zinc/19/10/50/410191050.db2.gz YEOBVLOUPSSLBZ-VIFPVBQESA-N 1 2 196.298 1.673 20 0 ADADLO CC[C@H](C)C[N@@H+](CC)Cc1cn[nH]n1 649337629 410191057 /nfs/dbraw/zinc/19/10/57/410191057.db2.gz YEOBVLOUPSSLBZ-VIFPVBQESA-N 1 2 196.298 1.673 20 0 ADADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn[nH]1 649394724 410192359 /nfs/dbraw/zinc/19/23/59/410192359.db2.gz ISULCSZEWSAIKC-VHSXEESVSA-N 1 2 190.250 1.098 20 0 ADADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn[nH]1 649394724 410192363 /nfs/dbraw/zinc/19/23/63/410192363.db2.gz ISULCSZEWSAIKC-VHSXEESVSA-N 1 2 190.250 1.098 20 0 ADADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nn1 649394724 410192368 /nfs/dbraw/zinc/19/23/68/410192368.db2.gz ISULCSZEWSAIKC-VHSXEESVSA-N 1 2 190.250 1.098 20 0 ADADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nn1 649394724 410192375 /nfs/dbraw/zinc/19/23/75/410192375.db2.gz ISULCSZEWSAIKC-VHSXEESVSA-N 1 2 190.250 1.098 20 0 ADADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]n1 649394724 410192377 /nfs/dbraw/zinc/19/23/77/410192377.db2.gz ISULCSZEWSAIKC-VHSXEESVSA-N 1 2 190.250 1.098 20 0 ADADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]n1 649394724 410192386 /nfs/dbraw/zinc/19/23/86/410192386.db2.gz ISULCSZEWSAIKC-VHSXEESVSA-N 1 2 190.250 1.098 20 0 ADADLO Cc1nc(N2CCOC[C@@H]2C)cc[nH+]1 649389994 410193445 /nfs/dbraw/zinc/19/34/45/410193445.db2.gz UACWGZTXXJDPEO-QMMMGPOBSA-N 1 2 193.250 1.010 20 0 ADADLO Cc1cc(N2CCOC[C@@H]2C)nc[nH+]1 649389985 410193916 /nfs/dbraw/zinc/19/39/16/410193916.db2.gz OUCIBOWMJPAGDX-VIFPVBQESA-N 1 2 193.250 1.010 20 0 ADADLO C[N@H+](CCC1CC1)Cc1cnn[nH]1 649391460 410194387 /nfs/dbraw/zinc/19/43/87/410194387.db2.gz DIDAZSISFCBMRV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1cnn[nH]1 649391460 410194394 /nfs/dbraw/zinc/19/43/94/410194394.db2.gz DIDAZSISFCBMRV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@H+](CCC1CC1)Cc1c[nH]nn1 649391460 410194400 /nfs/dbraw/zinc/19/44/00/410194400.db2.gz DIDAZSISFCBMRV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1c[nH]nn1 649391460 410194407 /nfs/dbraw/zinc/19/44/07/410194407.db2.gz DIDAZSISFCBMRV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@H+](CCC1CC1)Cc1cn[nH]n1 649391460 410194412 /nfs/dbraw/zinc/19/44/12/410194412.db2.gz DIDAZSISFCBMRV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1cn[nH]n1 649391460 410194418 /nfs/dbraw/zinc/19/44/18/410194418.db2.gz DIDAZSISFCBMRV-UHFFFAOYSA-N 1 2 180.255 1.037 20 0 ADADLO C[C@H](c1csnn1)[N@H+]1CC=CCC1 649417259 410196023 /nfs/dbraw/zinc/19/60/23/410196023.db2.gz KYOGWMNJRNJVRS-MRVPVSSYSA-N 1 2 195.291 1.861 20 0 ADADLO C[C@H](c1csnn1)[N@@H+]1CC=CCC1 649417259 410196031 /nfs/dbraw/zinc/19/60/31/410196031.db2.gz KYOGWMNJRNJVRS-MRVPVSSYSA-N 1 2 195.291 1.861 20 0 ADADLO C[C@@H](c1csnn1)[N@H+]1CC=CCC1 649417260 410197190 /nfs/dbraw/zinc/19/71/90/410197190.db2.gz KYOGWMNJRNJVRS-QMMMGPOBSA-N 1 2 195.291 1.861 20 0 ADADLO C[C@@H](c1csnn1)[N@@H+]1CC=CCC1 649417260 410197194 /nfs/dbraw/zinc/19/71/94/410197194.db2.gz KYOGWMNJRNJVRS-QMMMGPOBSA-N 1 2 195.291 1.861 20 0 ADADLO C1=CC[N@H+](Cc2cnns2)CC1 649417313 410198037 /nfs/dbraw/zinc/19/80/37/410198037.db2.gz XKYWFCJMMLZEOO-UHFFFAOYSA-N 1 2 181.264 1.300 20 0 ADADLO C1=CC[N@@H+](Cc2cnns2)CC1 649417313 410198044 /nfs/dbraw/zinc/19/80/44/410198044.db2.gz XKYWFCJMMLZEOO-UHFFFAOYSA-N 1 2 181.264 1.300 20 0 ADADLO CCn1nccc1-c1c[nH+]cn1C 649433310 410198494 /nfs/dbraw/zinc/19/84/94/410198494.db2.gz NBMKFUGCEUKDKZ-UHFFFAOYSA-N 1 2 176.223 1.304 20 0 ADADLO Cc1c(-c2c[nH]c[nH+]2)cnn1C 649444520 410201283 /nfs/dbraw/zinc/20/12/83/410201283.db2.gz XWJIHQGAFZPQTH-UHFFFAOYSA-N 1 2 162.196 1.119 20 0 ADADLO Cc1c(-c2[nH]cc[nH+]2)cnn1C 649444077 410201872 /nfs/dbraw/zinc/20/18/72/410201872.db2.gz AEQCWFMIELDBGJ-UHFFFAOYSA-N 1 2 162.196 1.119 20 0 ADADLO Cc1noc(C)c1-c1c[nH+]cn1C 649440675 410202035 /nfs/dbraw/zinc/20/20/35/410202035.db2.gz XBCMORFCVGGVSS-UHFFFAOYSA-N 1 2 177.207 1.692 20 0 ADADLO CC(C)NC(=O)C[C@@H](C)n1cc[nH+]c1 649472361 410207813 /nfs/dbraw/zinc/20/78/13/410207813.db2.gz NRPBFPOHCWESSP-SECBINFHSA-N 1 2 195.266 1.359 20 0 ADADLO CCCNC(=O)C[C@H](C)n1cc[nH+]c1 649489187 410207976 /nfs/dbraw/zinc/20/79/76/410207976.db2.gz OHZWMPNHZVGSPO-VIFPVBQESA-N 1 2 195.266 1.360 20 0 ADADLO CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 649489186 410208392 /nfs/dbraw/zinc/20/83/92/410208392.db2.gz OHZWMPNHZVGSPO-SECBINFHSA-N 1 2 195.266 1.360 20 0 ADADLO CC(C)NC(=O)C[C@H](C)n1cc[nH+]c1 649472362 410208620 /nfs/dbraw/zinc/20/86/20/410208620.db2.gz NRPBFPOHCWESSP-VIFPVBQESA-N 1 2 195.266 1.359 20 0 ADADLO CC[N@@H+](Cc1cn[nH]n1)CC1CCC1 649527067 410209817 /nfs/dbraw/zinc/20/98/17/410209817.db2.gz SQIAJNSRUOOOSF-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO CC[N@H+](Cc1cn[nH]n1)CC1CCC1 649527067 410209823 /nfs/dbraw/zinc/20/98/23/410209823.db2.gz SQIAJNSRUOOOSF-UHFFFAOYSA-N 1 2 194.282 1.427 20 0 ADADLO C[C@@H]1[C@H](O)CCN1c1cccc[nH+]1 649501811 410210500 /nfs/dbraw/zinc/21/05/00/410210500.db2.gz VXIUVVKBHNWMSS-RKDXNWHRSA-N 1 2 178.235 1.041 20 0 ADADLO CC[C@H](Nc1cccc[nH+]1)C(=O)NC 649564044 410215935 /nfs/dbraw/zinc/21/59/35/410215935.db2.gz LLWRTVBWGKQFAT-QMMMGPOBSA-N 1 2 193.250 1.018 20 0 ADADLO CCCc1[nH+]ccn1Cc1c[nH]nn1 649519338 410212344 /nfs/dbraw/zinc/21/23/44/410212344.db2.gz LVECUORJMLDMPR-UHFFFAOYSA-N 1 2 191.238 1.002 20 0 ADADLO c1cn(Cc2cc3n(n2)CCC3)c[nH+]1 649553277 410214915 /nfs/dbraw/zinc/21/49/15/410214915.db2.gz JZRGJTPCLWYBMB-UHFFFAOYSA-N 1 2 188.234 1.074 20 0 ADADLO CC[C@@H](Nc1cccc[nH+]1)C(=O)NC 649564043 410214971 /nfs/dbraw/zinc/21/49/71/410214971.db2.gz LLWRTVBWGKQFAT-MRVPVSSYSA-N 1 2 193.250 1.018 20 0 ADADLO CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 649598716 410218103 /nfs/dbraw/zinc/21/81/03/410218103.db2.gz SWUVNMQPXVBQCE-SECBINFHSA-N 1 2 195.266 1.313 20 0 ADADLO CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 649598717 410218998 /nfs/dbraw/zinc/21/89/98/410218998.db2.gz SWUVNMQPXVBQCE-VIFPVBQESA-N 1 2 195.266 1.313 20 0 ADADLO COC[C@@H](C)[N@@H+]1CCCC(F)(F)C1 649693656 410224477 /nfs/dbraw/zinc/22/44/77/410224477.db2.gz LNKLCNMCZIHNJD-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO COC[C@@H](C)[N@H+]1CCCC(F)(F)C1 649693656 410224483 /nfs/dbraw/zinc/22/44/83/410224483.db2.gz LNKLCNMCZIHNJD-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CCOCC[N@@H+]1CCCC(F)(F)C1 649692457 410225216 /nfs/dbraw/zinc/22/52/16/410225216.db2.gz RJFKJAOBBUYSGS-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO CCOCC[N@H+]1CCCC(F)(F)C1 649692457 410225220 /nfs/dbraw/zinc/22/52/20/410225220.db2.gz RJFKJAOBBUYSGS-UHFFFAOYSA-N 1 2 193.237 1.754 20 0 ADADLO CC(C)[N@H+](Cc1ccno1)C1COC1 649693870 410225714 /nfs/dbraw/zinc/22/57/14/410225714.db2.gz MMSHHGMDTPDTKO-UHFFFAOYSA-N 1 2 196.250 1.284 20 0 ADADLO CC(C)[N@@H+](Cc1ccno1)C1COC1 649693870 410225721 /nfs/dbraw/zinc/22/57/21/410225721.db2.gz MMSHHGMDTPDTKO-UHFFFAOYSA-N 1 2 196.250 1.284 20 0 ADADLO CO[C@@H](C)C[N@@H+]1CCCC(F)(F)C1 649695041 410226423 /nfs/dbraw/zinc/22/64/23/410226423.db2.gz FMNJODCZZBVDBH-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CO[C@@H](C)C[N@H+]1CCCC(F)(F)C1 649695041 410226427 /nfs/dbraw/zinc/22/64/27/410226427.db2.gz FMNJODCZZBVDBH-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO CO[C@H](C)C[N@@H+]1CCCC(F)(F)C1 649695040 410226831 /nfs/dbraw/zinc/22/68/31/410226831.db2.gz FMNJODCZZBVDBH-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO CO[C@H](C)C[N@H+]1CCCC(F)(F)C1 649695040 410226832 /nfs/dbraw/zinc/22/68/32/410226832.db2.gz FMNJODCZZBVDBH-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO COC[C@H](C)[N@@H+]1CCCC(F)(F)C1 649693657 410226892 /nfs/dbraw/zinc/22/68/92/410226892.db2.gz LNKLCNMCZIHNJD-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO COC[C@H](C)[N@H+]1CCCC(F)(F)C1 649693657 410226895 /nfs/dbraw/zinc/22/68/95/410226895.db2.gz LNKLCNMCZIHNJD-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO COC[C@]1(C)CC[N@H+](CC(F)F)C1 649764362 410233185 /nfs/dbraw/zinc/23/31/85/410233185.db2.gz VMQJGRCRBJMXPL-SECBINFHSA-N 1 2 193.237 1.610 20 0 ADADLO COC[C@]1(C)CC[N@@H+](CC(F)F)C1 649764362 410233192 /nfs/dbraw/zinc/23/31/92/410233192.db2.gz VMQJGRCRBJMXPL-SECBINFHSA-N 1 2 193.237 1.610 20 0 ADADLO COC[C@@]1(C)CC[N@H+](CC(F)F)C1 649764363 410234920 /nfs/dbraw/zinc/23/49/20/410234920.db2.gz VMQJGRCRBJMXPL-VIFPVBQESA-N 1 2 193.237 1.610 20 0 ADADLO COC[C@@]1(C)CC[N@@H+](CC(F)F)C1 649764363 410234923 /nfs/dbraw/zinc/23/49/23/410234923.db2.gz VMQJGRCRBJMXPL-VIFPVBQESA-N 1 2 193.237 1.610 20 0 ADADLO c1[nH]nnc1C[NH2+]C1(C2CCC2)CC1 649811266 410238006 /nfs/dbraw/zinc/23/80/06/410238006.db2.gz LEEYCKTUEMRXDY-UHFFFAOYSA-N 1 2 192.266 1.227 20 0 ADADLO c1n[nH]nc1C[NH2+]C1(C2CCC2)CC1 649811266 410238008 /nfs/dbraw/zinc/23/80/08/410238008.db2.gz LEEYCKTUEMRXDY-UHFFFAOYSA-N 1 2 192.266 1.227 20 0 ADADLO FC(F)C[N@@H+]1CC[C@@]2(C1)CC2(F)F 649905393 410246472 /nfs/dbraw/zinc/24/64/72/410246472.db2.gz ZQCAPBSRTBETQD-ZETCQYMHSA-N 1 2 197.175 1.983 20 0 ADADLO FC(F)C[N@H+]1CC[C@@]2(C1)CC2(F)F 649905393 410246476 /nfs/dbraw/zinc/24/64/76/410246476.db2.gz ZQCAPBSRTBETQD-ZETCQYMHSA-N 1 2 197.175 1.983 20 0 ADADLO Cc1nc(C)c(C[N@@H+]2CC[C@H](F)C2)o1 649940628 410248118 /nfs/dbraw/zinc/24/81/18/410248118.db2.gz QLHHTPCBNCAHHR-VIFPVBQESA-N 1 2 198.241 1.835 20 0 ADADLO Cc1nc(C)c(C[N@H+]2CC[C@H](F)C2)o1 649940628 410248122 /nfs/dbraw/zinc/24/81/22/410248122.db2.gz QLHHTPCBNCAHHR-VIFPVBQESA-N 1 2 198.241 1.835 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@H](F)C2)nn1C 649938933 410248272 /nfs/dbraw/zinc/24/82/72/410248272.db2.gz VAMAKRIUJDQGOK-VIFPVBQESA-N 1 2 197.257 1.272 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@H](F)C2)nn1C 649938933 410248274 /nfs/dbraw/zinc/24/82/74/410248274.db2.gz VAMAKRIUJDQGOK-VIFPVBQESA-N 1 2 197.257 1.272 20 0 ADADLO FC(F)C[N@@H+]1CC[C@]2(C1)CC2(F)F 649905392 410248449 /nfs/dbraw/zinc/24/84/49/410248449.db2.gz ZQCAPBSRTBETQD-SSDOTTSWSA-N 1 2 197.175 1.983 20 0 ADADLO FC(F)C[N@H+]1CC[C@]2(C1)CC2(F)F 649905392 410248454 /nfs/dbraw/zinc/24/84/54/410248454.db2.gz ZQCAPBSRTBETQD-SSDOTTSWSA-N 1 2 197.175 1.983 20 0 ADADLO CO[C@H]1CC[N@H+](CC(F)F)C[C@@H]1C 650000559 410249369 /nfs/dbraw/zinc/24/93/69/410249369.db2.gz OAXYBEQJWRXPBP-YUMQZZPRSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@H]1CC[N@@H+](CC(F)F)C[C@@H]1C 650000559 410249378 /nfs/dbraw/zinc/24/93/78/410249378.db2.gz OAXYBEQJWRXPBP-YUMQZZPRSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@@H]1CC[N@H+](CC(F)F)C[C@@H]1C 650000557 410250468 /nfs/dbraw/zinc/25/04/68/410250468.db2.gz OAXYBEQJWRXPBP-JGVFFNPUSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@@H]1CC[N@@H+](CC(F)F)C[C@@H]1C 650000557 410250473 /nfs/dbraw/zinc/25/04/73/410250473.db2.gz OAXYBEQJWRXPBP-JGVFFNPUSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@@H]1CC[N@H+](CC(F)F)C[C@H]1C 650000556 410250920 /nfs/dbraw/zinc/25/09/20/410250920.db2.gz OAXYBEQJWRXPBP-HTQZYQBOSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@@H]1CC[N@@H+](CC(F)F)C[C@H]1C 650000556 410250926 /nfs/dbraw/zinc/25/09/26/410250926.db2.gz OAXYBEQJWRXPBP-HTQZYQBOSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@H]1CC[N@H+](CC(F)F)C[C@H]1C 650000558 410251398 /nfs/dbraw/zinc/25/13/98/410251398.db2.gz OAXYBEQJWRXPBP-SFYZADRCSA-N 1 2 193.237 1.608 20 0 ADADLO CO[C@H]1CC[N@@H+](CC(F)F)C[C@H]1C 650000558 410251402 /nfs/dbraw/zinc/25/14/02/410251402.db2.gz OAXYBEQJWRXPBP-SFYZADRCSA-N 1 2 193.237 1.608 20 0 ADADLO Cc1cc(C[N@@H+]2CC[C@@H](F)C2)nn1C 649943808 410251638 /nfs/dbraw/zinc/25/16/38/410251638.db2.gz VAMAKRIUJDQGOK-SECBINFHSA-N 1 2 197.257 1.272 20 0 ADADLO Cc1cc(C[N@H+]2CC[C@@H](F)C2)nn1C 649943808 410251641 /nfs/dbraw/zinc/25/16/41/410251641.db2.gz VAMAKRIUJDQGOK-SECBINFHSA-N 1 2 197.257 1.272 20 0 ADADLO Cc1nc(C)c(C[N@@H+]2CC[C@@H](F)C2)o1 649946052 410251763 /nfs/dbraw/zinc/25/17/63/410251763.db2.gz QLHHTPCBNCAHHR-SECBINFHSA-N 1 2 198.241 1.835 20 0 ADADLO Cc1nc(C)c(C[N@H+]2CC[C@@H](F)C2)o1 649946052 410251765 /nfs/dbraw/zinc/25/17/65/410251765.db2.gz QLHHTPCBNCAHHR-SECBINFHSA-N 1 2 198.241 1.835 20 0 ADADLO C[C@@H](O)C[N@H+](CCCF)CC(F)F 650181802 410259424 /nfs/dbraw/zinc/25/94/24/410259424.db2.gz SFSOXYJKPWYPTL-SSDOTTSWSA-N 1 2 199.216 1.294 20 0 ADADLO C[C@@H](O)C[N@@H+](CCCF)CC(F)F 650181802 410259432 /nfs/dbraw/zinc/25/94/32/410259432.db2.gz SFSOXYJKPWYPTL-SSDOTTSWSA-N 1 2 199.216 1.294 20 0 ADADLO CCCC[N@@H+](CC(F)F)C[C@@H](C)O 650181814 410259998 /nfs/dbraw/zinc/25/99/98/410259998.db2.gz YCXJJNXDMAPNCV-MRVPVSSYSA-N 1 2 195.253 1.734 20 0 ADADLO CCCC[N@H+](CC(F)F)C[C@@H](C)O 650181814 410260006 /nfs/dbraw/zinc/26/00/06/410260006.db2.gz YCXJJNXDMAPNCV-MRVPVSSYSA-N 1 2 195.253 1.734 20 0 ADADLO CCCC(C)(C)c1nc(C[NH2+]C)no1 650229189 410260180 /nfs/dbraw/zinc/26/01/80/410260180.db2.gz RLHPHRTXRNTHLD-UHFFFAOYSA-N 1 2 197.282 1.867 20 0 ADADLO C[C@H](O)C[N@H+](CCCF)CC(F)F 650181803 410260848 /nfs/dbraw/zinc/26/08/48/410260848.db2.gz SFSOXYJKPWYPTL-ZETCQYMHSA-N 1 2 199.216 1.294 20 0 ADADLO C[C@H](O)C[N@@H+](CCCF)CC(F)F 650181803 410260851 /nfs/dbraw/zinc/26/08/51/410260851.db2.gz SFSOXYJKPWYPTL-ZETCQYMHSA-N 1 2 199.216 1.294 20 0 ADADLO CCCC[N@@H+](CC(F)F)C[C@H](C)O 650181815 410261403 /nfs/dbraw/zinc/26/14/03/410261403.db2.gz YCXJJNXDMAPNCV-QMMMGPOBSA-N 1 2 195.253 1.734 20 0 ADADLO CCCC[N@H+](CC(F)F)C[C@H](C)O 650181815 410261409 /nfs/dbraw/zinc/26/14/09/410261409.db2.gz YCXJJNXDMAPNCV-QMMMGPOBSA-N 1 2 195.253 1.734 20 0 ADADLO COC[C@@H]1CCCC[N@@H+]1CC(F)F 650301043 410262447 /nfs/dbraw/zinc/26/24/47/410262447.db2.gz QDUKQJMMVDGBKA-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO COC[C@@H]1CCCC[N@H+]1CC(F)F 650301043 410262452 /nfs/dbraw/zinc/26/24/52/410262452.db2.gz QDUKQJMMVDGBKA-QMMMGPOBSA-N 1 2 193.237 1.752 20 0 ADADLO COC[C@H]1CCCC[N@@H+]1CC(F)F 650301042 410264128 /nfs/dbraw/zinc/26/41/28/410264128.db2.gz QDUKQJMMVDGBKA-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO COC[C@H]1CCCC[N@H+]1CC(F)F 650301042 410264130 /nfs/dbraw/zinc/26/41/30/410264130.db2.gz QDUKQJMMVDGBKA-MRVPVSSYSA-N 1 2 193.237 1.752 20 0 ADADLO OCCC[C@@H]1CC[N@H+](CC(F)F)C1 650352626 410266866 /nfs/dbraw/zinc/26/68/66/410266866.db2.gz FQPCZRNENVEYCG-MRVPVSSYSA-N 1 2 193.237 1.346 20 0 ADADLO OCCC[C@@H]1CC[N@@H+](CC(F)F)C1 650352626 410266874 /nfs/dbraw/zinc/26/68/74/410266874.db2.gz FQPCZRNENVEYCG-MRVPVSSYSA-N 1 2 193.237 1.346 20 0 ADADLO OCCC[C@H]1CC[N@H+](CC(F)F)C1 650352627 410267769 /nfs/dbraw/zinc/26/77/69/410267769.db2.gz FQPCZRNENVEYCG-QMMMGPOBSA-N 1 2 193.237 1.346 20 0 ADADLO OCCC[C@H]1CC[N@@H+](CC(F)F)C1 650352627 410267774 /nfs/dbraw/zinc/26/77/74/410267774.db2.gz FQPCZRNENVEYCG-QMMMGPOBSA-N 1 2 193.237 1.346 20 0 ADADLO CCC=CCNC(=O)c1c[nH+]c(C)[nH]1 650825594 410284328 /nfs/dbraw/zinc/28/43/28/410284328.db2.gz BVONCFZDFVDWCK-PLNGDYQASA-N 1 2 193.250 1.414 20 0 ADADLO CCC=CCNC(=O)c1c[nH+]c(C)[nH]1 650825595 410284413 /nfs/dbraw/zinc/28/44/13/410284413.db2.gz BVONCFZDFVDWCK-SNAWJCMRSA-N 1 2 193.250 1.414 20 0 ADADLO CC[C@@H]1C[N@@H+](CCF)C[C@H](C)O1 307701902 629804511 /nfs/dbraw/zinc/80/45/11/629804511.db2.gz SUGBYLMSVSBSGU-DTWKUNHWSA-N 1 2 175.247 1.455 20 0 ADADLO COC[C@H](C)[NH2+][C@H](C)c1noc(C)n1 389198194 538439089 /nfs/dbraw/zinc/43/90/89/538439089.db2.gz BSQUNLJRLJKTBP-NKWVEPMBSA-N 1 2 199.254 1.064 20 0 ADADLO CNc1nc(C2CC2)[nH+]cc1C 642883045 573252099 /nfs/dbraw/zinc/25/20/99/573252099.db2.gz SXTOXRMIKPSUKA-UHFFFAOYSA-N 1 2 163.224 1.704 20 0 ADADLO Cc1nc(N[C@@H](CO)C(C)C)cc[nH+]1 86126499 573272012 /nfs/dbraw/zinc/27/20/12/573272012.db2.gz PAYGHQSYZFBREX-VIFPVBQESA-N 1 2 195.266 1.214 20 0 ADADLO CC(C)[C@H](CO)Nc1cccc[nH+]1 86126383 573273865 /nfs/dbraw/zinc/27/38/65/573273865.db2.gz NOISHLDQGLJDRF-VIFPVBQESA-N 1 2 180.251 1.510 20 0 ADADLO Cc1cc(N[C@@H](CO)C(C)C)nc[nH+]1 86126312 573274185 /nfs/dbraw/zinc/27/41/85/573274185.db2.gz YPYQCQUIHVFLSS-VIFPVBQESA-N 1 2 195.266 1.214 20 0 ADADLO C[C@H](NCc1ccon1)c1[nH]cc[nH+]1 393662569 573342057 /nfs/dbraw/zinc/34/20/57/573342057.db2.gz AOIBYLZKKSTYKP-ZETCQYMHSA-N 1 2 192.222 1.249 20 0 ADADLO CC(C)CCNC(=O)Cc1c[nH]c[nH+]1 74673401 573370117 /nfs/dbraw/zinc/37/01/17/573370117.db2.gz FZQPGBBHZSEOMK-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO CC(C)CCNC(=O)Cc1c[nH+]c[nH]1 74673401 573370123 /nfs/dbraw/zinc/37/01/23/573370123.db2.gz FZQPGBBHZSEOMK-UHFFFAOYSA-N 1 2 195.266 1.115 20 0 ADADLO C[N@H+](Cc1nnc[nH]1)CC(C)(C)C 308382180 573420792 /nfs/dbraw/zinc/42/07/92/573420792.db2.gz VCXBFYOYKXQKIZ-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO C[N@@H+](Cc1nnc[nH]1)CC(C)(C)C 308382180 573420796 /nfs/dbraw/zinc/42/07/96/573420796.db2.gz VCXBFYOYKXQKIZ-UHFFFAOYSA-N 1 2 182.271 1.283 20 0 ADADLO Cc1nc(NCc2ccon2)cc[nH+]1 86443442 573427549 /nfs/dbraw/zinc/42/75/49/573427549.db2.gz LYEJSVAMCSHPLH-UHFFFAOYSA-N 1 2 190.206 1.385 20 0 ADADLO Cc1nc(NC/C=C\C2CC2)cc[nH+]1 393499752 573431396 /nfs/dbraw/zinc/43/13/96/573431396.db2.gz ZBNSVRIINSTRNW-IHWYPQMZSA-N 1 2 189.262 1.585 20 0 ADADLO C[C@H]1CCC[C@H]1[NH2+]Cc1ncn[nH]1 83390677 573479477 /nfs/dbraw/zinc/47/94/77/573479477.db2.gz LUKIGDPINXIQTA-JGVFFNPUSA-N 1 2 180.255 1.083 20 0 ADADLO CCc1[nH+]cc(N)cc1C 107454719 573609956 /nfs/dbraw/zinc/60/99/56/573609956.db2.gz GUXYHWLHJQKQIW-UHFFFAOYSA-N 1 2 136.198 1.535 20 0 ADADLO C[C@H](NCC(C)(F)F)c1[nH]cc[nH+]1 393545190 573638436 /nfs/dbraw/zinc/63/84/36/573638436.db2.gz GTMSROHLMCLTPT-LURJTMIESA-N 1 2 189.209 1.716 20 0 ADADLO CC1(C)CCC[C@@H]1[NH2+]Cc1ncn[nH]1 86856873 573656468 /nfs/dbraw/zinc/65/64/68/573656468.db2.gz VTNVFPWUEPDCQM-QMMMGPOBSA-N 1 2 194.282 1.473 20 0 ADADLO CC[NH2+]Cc1noc(C=C(C)C)n1 308700974 573744578 /nfs/dbraw/zinc/74/45/78/573744578.db2.gz XTVNWCQRZFRXAX-UHFFFAOYSA-N 1 2 181.239 1.602 20 0 ADADLO Cc1ccc([C@@H](C)[C@@H](C)O)c[nH+]1 87142043 573794257 /nfs/dbraw/zinc/79/42/57/573794257.db2.gz UTIHDQJBSONVNA-DTWKUNHWSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1ccc([C@@H](C)[C@H](C)O)c[nH+]1 87142048 573795369 /nfs/dbraw/zinc/79/53/69/573795369.db2.gz UTIHDQJBSONVNA-IUCAKERBSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1cc[nH+]cc1[C@@H](C)[C@@H](C)O 87142294 573795399 /nfs/dbraw/zinc/79/53/99/573795399.db2.gz VKPJHCFPQKGZBX-DTWKUNHWSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1cc[nH+]cc1[C@@H](C)[C@H](C)O 87142299 573795872 /nfs/dbraw/zinc/79/58/72/573795872.db2.gz VKPJHCFPQKGZBX-IUCAKERBSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1ccc([C@H](C)[C@H](C)O)c[nH+]1 87142051 573795960 /nfs/dbraw/zinc/79/59/60/573795960.db2.gz UTIHDQJBSONVNA-BDAKNGLRSA-N 1 2 165.236 1.874 20 0 ADADLO Cc1cc[nH+]cc1[C@H](C)[C@H](C)O 87142302 573796251 /nfs/dbraw/zinc/79/62/51/573796251.db2.gz VKPJHCFPQKGZBX-BDAKNGLRSA-N 1 2 165.236 1.874 20 0 ADADLO Oc1cccc2[nH+]ccn12 100971493 573837639 /nfs/dbraw/zinc/83/76/39/573837639.db2.gz DHVAXMGXTXRFNG-UHFFFAOYSA-N 1 2 134.138 1.040 20 0 ADADLO Cc1[nH]cc(-c2cccc(CO)c2)[nH+]1 71791916 573891203 /nfs/dbraw/zinc/89/12/03/573891203.db2.gz BXDOTHWYXOUFHE-UHFFFAOYSA-N 1 2 188.230 1.877 20 0 ADADLO CC(C)OC(=O)C[NH2+][C@H]1CCC1(C)C 308467936 573937950 /nfs/dbraw/zinc/93/79/50/573937950.db2.gz AKILRAPUQJBMED-VIFPVBQESA-N 1 2 199.294 1.716 20 0 ADADLO CC(=O)[C@H]([NH3+])c1cccc(F)c1F 104491148 574008046 /nfs/dbraw/zinc/00/80/46/574008046.db2.gz GNKYNNPCFRWGAG-VIFPVBQESA-N 1 2 185.173 1.554 20 0 ADADLO CC(=O)[C@H]([NH3+])c1c(F)cccc1F 104492740 574007896 /nfs/dbraw/zinc/00/78/96/574007896.db2.gz HGZKVFVLNVFCEH-VIFPVBQESA-N 1 2 185.173 1.554 20 0 ADADLO CNc1cc(N2CCC[C@@H]2C)nc[nH+]1 87820130 574044156 /nfs/dbraw/zinc/04/41/56/574044156.db2.gz OOPGRBMRWONZTR-QMMMGPOBSA-N 1 2 192.266 1.507 20 0 ADADLO CNc1cc(N2CCC[C@@H]2C)[nH+]cn1 87820130 574044157 /nfs/dbraw/zinc/04/41/57/574044157.db2.gz OOPGRBMRWONZTR-QMMMGPOBSA-N 1 2 192.266 1.507 20 0 ADADLO CC(C)[C@@H](C)N(C)c1cc(N)nc[nH+]1 87813254 574044341 /nfs/dbraw/zinc/04/43/41/574044341.db2.gz MVPCBSGZDKKEBE-MRVPVSSYSA-N 1 2 194.282 1.540 20 0 ADADLO C[C@@H](C1CC1)N(C)c1cc(N)nc[nH+]1 87813126 574044515 /nfs/dbraw/zinc/04/45/15/574044515.db2.gz OREOMHSPCJZSGK-ZETCQYMHSA-N 1 2 192.266 1.294 20 0 ADADLO CN(CC1CCC1)c1cc(N)nc[nH+]1 87828507 574044544 /nfs/dbraw/zinc/04/45/44/574044544.db2.gz XYSUVJRFHBEXKV-UHFFFAOYSA-N 1 2 192.266 1.295 20 0 ADADLO CC(C)[C@H](C)N(C)c1cc(N)nc[nH+]1 87813256 574044572 /nfs/dbraw/zinc/04/45/72/574044572.db2.gz MVPCBSGZDKKEBE-QMMMGPOBSA-N 1 2 194.282 1.540 20 0 ADADLO CNc1cc(N[C@H](C)C2CC2)[nH+]cn1 87811861 574044705 /nfs/dbraw/zinc/04/47/05/574044705.db2.gz HDUXFXUUCHWXAW-SSDOTTSWSA-N 1 2 192.266 1.729 20 0 ADADLO CNc1cc(N2CC[C@@H](C)C2)nc[nH+]1 87820815 574044776 /nfs/dbraw/zinc/04/47/76/574044776.db2.gz JDFMMGTYVFPVAT-MRVPVSSYSA-N 1 2 192.266 1.365 20 0 ADADLO CNc1cc(N2CC[C@@H](C)C2)[nH+]cn1 87820815 574044778 /nfs/dbraw/zinc/04/47/78/574044778.db2.gz JDFMMGTYVFPVAT-MRVPVSSYSA-N 1 2 192.266 1.365 20 0 ADADLO CNc1cc(N[C@H]2CC2(C)C)nc[nH+]1 87825716 574044811 /nfs/dbraw/zinc/04/48/11/574044811.db2.gz OCYDZIZOVSOWCB-ZETCQYMHSA-N 1 2 192.266 1.729 20 0 ADADLO CNc1cc(N[C@H]2CC2(C)C)[nH+]cn1 87825716 574044813 /nfs/dbraw/zinc/04/48/13/574044813.db2.gz OCYDZIZOVSOWCB-ZETCQYMHSA-N 1 2 192.266 1.729 20 0 ADADLO CNc1cc(N2CCC[C@H]2C)nc[nH+]1 87820129 574045029 /nfs/dbraw/zinc/04/50/29/574045029.db2.gz OOPGRBMRWONZTR-MRVPVSSYSA-N 1 2 192.266 1.507 20 0 ADADLO CNc1cc(N2CCC[C@H]2C)[nH+]cn1 87820129 574045031 /nfs/dbraw/zinc/04/50/31/574045031.db2.gz OOPGRBMRWONZTR-MRVPVSSYSA-N 1 2 192.266 1.507 20 0 ADADLO COC[C@@H](C)[NH2+][C@H](C)c1noc(C)n1 389198196 538438998 /nfs/dbraw/zinc/43/89/98/538438998.db2.gz BSQUNLJRLJKTBP-RNFRBKRXSA-N 1 2 199.254 1.064 20 0 ADADLO CCCC(=O)NCc1[nH]c[nH+]c1C 388894458 538439011 /nfs/dbraw/zinc/43/90/11/538439011.db2.gz LZZHVVAUZCJGBX-UHFFFAOYSA-N 1 2 181.239 1.134 20 0 ADADLO CC1(C)CN(c2cccc[nH+]2)CCO1 334287846 520493975 /nfs/dbraw/zinc/49/39/75/520493975.db2.gz YJWJZRIZLMXGOJ-UHFFFAOYSA-N 1 2 192.262 1.697 20 0 ADADLO FCC[NH+]1Cc2ccccc2C1 306634435 629666626 /nfs/dbraw/zinc/66/66/26/629666626.db2.gz VTZYNHWZQZAPAJ-UHFFFAOYSA-N 1 2 165.211 1.972 20 0 ADADLO C[C@@H]1COCC[N@@H+]1C/C=C/Cl 306676276 629671041 /nfs/dbraw/zinc/67/10/41/629671041.db2.gz VSUGZZFFLUYWGJ-UFUPEUMYSA-N 1 2 175.659 1.460 20 0 ADADLO C[C@@H]1COCC[N@H+]1C/C=C/Cl 306676276 629671044 /nfs/dbraw/zinc/67/10/44/629671044.db2.gz VSUGZZFFLUYWGJ-UFUPEUMYSA-N 1 2 175.659 1.460 20 0 ADADLO C[N@H+](Cn1ccsc1=O)C1CCC1 306363015 629693018 /nfs/dbraw/zinc/69/30/18/629693018.db2.gz WALKBCZSNFBVDM-UHFFFAOYSA-N 1 2 198.291 1.352 20 0 ADADLO C[N@@H+](Cn1ccsc1=O)C1CCC1 306363015 629693026 /nfs/dbraw/zinc/69/30/26/629693026.db2.gz WALKBCZSNFBVDM-UHFFFAOYSA-N 1 2 198.291 1.352 20 0 ADADLO Cc1nc(C)c(Cn2cc[nH+]c2)o1 307102302 629746187 /nfs/dbraw/zinc/74/61/87/629746187.db2.gz WANRTDJKJMHYRI-UHFFFAOYSA-N 1 2 177.207 1.536 20 0 ADADLO F[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH]cn1 307198451 629750687 /nfs/dbraw/zinc/75/06/87/629750687.db2.gz XUNRJBVLTHBVAY-NXEZZACHSA-N 1 2 197.257 1.780 20 0 ADADLO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCOC1=O 307201212 629753936 /nfs/dbraw/zinc/75/39/36/629753936.db2.gz ZXLXYKGYNBLCGR-SFYZADRCSA-N 1 2 183.251 1.080 20 0 ADADLO CC1(C)CC[C@H]1[NH2+][C@@H]1CCOC1=O 307201208 629754527 /nfs/dbraw/zinc/75/45/27/629754527.db2.gz ZXLXYKGYNBLCGR-HTQZYQBOSA-N 1 2 183.251 1.080 20 0 ADADLO FCC[N@@H+]1CCOC[C@H]1C1CC1 307211026 629754779 /nfs/dbraw/zinc/75/47/79/629754779.db2.gz RZXXPYNIRKWUPE-VIFPVBQESA-N 1 2 173.231 1.067 20 0 ADADLO FCC[N@H+]1CCOC[C@H]1C1CC1 307211026 629754783 /nfs/dbraw/zinc/75/47/83/629754783.db2.gz RZXXPYNIRKWUPE-VIFPVBQESA-N 1 2 173.231 1.067 20 0 ADADLO FCC[N@@H+]1CCOC[C@@H]1C1CC1 307211025 629755572 /nfs/dbraw/zinc/75/55/72/629755572.db2.gz RZXXPYNIRKWUPE-SECBINFHSA-N 1 2 173.231 1.067 20 0 ADADLO FCC[N@H+]1CCOC[C@@H]1C1CC1 307211025 629755575 /nfs/dbraw/zinc/75/55/75/629755575.db2.gz RZXXPYNIRKWUPE-SECBINFHSA-N 1 2 173.231 1.067 20 0 ADADLO CC1(C)CC[C@H]1[NH2+][C@H]1CCOC1=O 307201210 629755654 /nfs/dbraw/zinc/75/56/54/629755654.db2.gz ZXLXYKGYNBLCGR-JGVFFNPUSA-N 1 2 183.251 1.080 20 0 ADADLO OCc1cc[nH+]c(N2C[C@H]3C[C@H]3C2)c1 307334242 629764061 /nfs/dbraw/zinc/76/40/61/629764061.db2.gz GAJRNOWLYCZPTG-AOOOYVTPSA-N 1 2 190.246 1.030 20 0 ADADLO CC1(C)C[N@H+](CCF)CCO1 307535928 629777940 /nfs/dbraw/zinc/77/79/40/629777940.db2.gz IKMQGPCTPDSDAQ-UHFFFAOYSA-N 1 2 161.220 1.067 20 0 ADADLO CC1(C)C[N@@H+](CCF)CCO1 307535928 629777946 /nfs/dbraw/zinc/77/79/46/629777946.db2.gz IKMQGPCTPDSDAQ-UHFFFAOYSA-N 1 2 161.220 1.067 20 0 ADADLO C[C@H]([NH2+]CCF)c1ncc[nH]1 307624801 629790013 /nfs/dbraw/zinc/79/00/13/629790013.db2.gz OJWCWFWGHAFBTC-LURJTMIESA-N 1 2 157.192 1.030 20 0 ADADLO C[C@@H]([NH2+]CCF)c1ncc[nH]1 307624804 629791558 /nfs/dbraw/zinc/79/15/58/629791558.db2.gz OJWCWFWGHAFBTC-ZCFIWIBFSA-N 1 2 157.192 1.030 20 0 ADADLO C[C@@H](c1nc(C2CC2)no1)[NH+](C)C 307637900 629797317 /nfs/dbraw/zinc/79/73/17/629797317.db2.gz ZBOKRVLHEDGQCP-LURJTMIESA-N 1 2 181.239 1.570 20 0 ADADLO C[C@H]1C[N@H+](CCF)[C@H](C)CO1 307664459 629803210 /nfs/dbraw/zinc/80/32/10/629803210.db2.gz KJNMIZIEBATRLB-SFYZADRCSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@H]1C[N@@H+](CCF)[C@H](C)CO1 307664459 629803214 /nfs/dbraw/zinc/80/32/14/629803214.db2.gz KJNMIZIEBATRLB-SFYZADRCSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@H]1C[N@H+](CCF)[C@@H](C)CO1 307664460 629803530 /nfs/dbraw/zinc/80/35/30/629803530.db2.gz KJNMIZIEBATRLB-YUMQZZPRSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@H]1C[N@@H+](CCF)[C@@H](C)CO1 307664460 629803536 /nfs/dbraw/zinc/80/35/36/629803536.db2.gz KJNMIZIEBATRLB-YUMQZZPRSA-N 1 2 161.220 1.065 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@@H+]1C/C=C/Cl 307701316 629804254 /nfs/dbraw/zinc/80/42/54/629804254.db2.gz RNSOMAMSYGAZQC-DXMIZCBPSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@H]1CO[C@H](C)C[N@H+]1C/C=C/Cl 307701316 629804256 /nfs/dbraw/zinc/80/42/56/629804256.db2.gz RNSOMAMSYGAZQC-DXMIZCBPSA-N 1 2 189.686 1.848 20 0 ADADLO CC[C@@H]1C[N@H+](CCF)C[C@H](C)O1 307701902 629804507 /nfs/dbraw/zinc/80/45/07/629804507.db2.gz SUGBYLMSVSBSGU-DTWKUNHWSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H]1C[N@H+](CCF)C[C@@H](C)O1 307701901 629805074 /nfs/dbraw/zinc/80/50/74/629805074.db2.gz SUGBYLMSVSBSGU-BDAKNGLRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H]1C[N@@H+](CCF)C[C@@H](C)O1 307701901 629805078 /nfs/dbraw/zinc/80/50/78/629805078.db2.gz SUGBYLMSVSBSGU-BDAKNGLRSA-N 1 2 175.247 1.455 20 0 ADADLO C[C@@H]1C[N@H+](C/C=C/Cl)[C@H](C)CO1 307701322 629805432 /nfs/dbraw/zinc/80/54/32/629805432.db2.gz RNSOMAMSYGAZQC-HUGTUPKYSA-N 1 2 189.686 1.848 20 0 ADADLO C[C@@H]1C[N@@H+](C/C=C/Cl)[C@H](C)CO1 307701322 629805434 /nfs/dbraw/zinc/80/54/34/629805434.db2.gz RNSOMAMSYGAZQC-HUGTUPKYSA-N 1 2 189.686 1.848 20 0 ADADLO CC[C@H]1C[N@H+](CCF)C[C@H](C)O1 307701903 629805518 /nfs/dbraw/zinc/80/55/18/629805518.db2.gz SUGBYLMSVSBSGU-IUCAKERBSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@H]1C[N@@H+](CCF)C[C@H](C)O1 307701903 629805523 /nfs/dbraw/zinc/80/55/23/629805523.db2.gz SUGBYLMSVSBSGU-IUCAKERBSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H]1C[N@H+](CCF)C[C@@H](C)O1 307701904 629805540 /nfs/dbraw/zinc/80/55/40/629805540.db2.gz SUGBYLMSVSBSGU-RKDXNWHRSA-N 1 2 175.247 1.455 20 0 ADADLO CC[C@@H]1C[N@@H+](CCF)C[C@@H](C)O1 307701904 629805543 /nfs/dbraw/zinc/80/55/43/629805543.db2.gz SUGBYLMSVSBSGU-RKDXNWHRSA-N 1 2 175.247 1.455 20 0 ADADLO Cc1cc(C[NH+]2CCOCC2)c(C)o1 168224562 629813575 /nfs/dbraw/zinc/81/35/75/629813575.db2.gz SFKRSMJGFCGONJ-UHFFFAOYSA-N 1 2 195.262 1.729 20 0 ADADLO C[C@H]1C[N@H+](C/C=C\Cl)CCO1 307886053 629822195 /nfs/dbraw/zinc/82/21/95/629822195.db2.gz VFIMXJCGWYUWNB-KZUAUGPASA-N 1 2 175.659 1.460 20 0 ADADLO C[C@H]1C[N@@H+](C/C=C\Cl)CCO1 307886053 629822199 /nfs/dbraw/zinc/82/21/99/629822199.db2.gz VFIMXJCGWYUWNB-KZUAUGPASA-N 1 2 175.659 1.460 20 0 ADADLO C[C@H]1COCC[N@@H+]1C/C=C\Cl 307886508 629822479 /nfs/dbraw/zinc/82/24/79/629822479.db2.gz VSUGZZFFLUYWGJ-KZUAUGPASA-N 1 2 175.659 1.460 20 0 ADADLO C[C@H]1COCC[N@H+]1C/C=C\Cl 307886508 629822485 /nfs/dbraw/zinc/82/24/85/629822485.db2.gz VSUGZZFFLUYWGJ-KZUAUGPASA-N 1 2 175.659 1.460 20 0 ADADLO CC1(C)COCC[N@@H+]1C/C=C\Cl 307957323 629825862 /nfs/dbraw/zinc/82/58/62/629825862.db2.gz SCLSDJOVBIVHDY-ARJAWSKDSA-N 1 2 189.686 1.850 20 0 ADADLO CC1(C)COCC[N@H+]1C/C=C\Cl 307957323 629825868 /nfs/dbraw/zinc/82/58/68/629825868.db2.gz SCLSDJOVBIVHDY-ARJAWSKDSA-N 1 2 189.686 1.850 20 0 ADADLO CC1=CCCN(c2cc[nH+]c(C)n2)C1 336309230 520860954 /nfs/dbraw/zinc/86/09/54/520860954.db2.gz KBMJZHMICHCCTJ-UHFFFAOYSA-N 1 2 189.262 1.941 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@H]1CC[C@H]1C 308154204 629839692 /nfs/dbraw/zinc/83/96/92/629839692.db2.gz SIBZMFAQKRLUHB-VGMNWLOBSA-N 1 2 185.267 1.326 20 0 ADADLO OC[C@H]1CC[N@@H+]1CC=C(Cl)Cl 934010236 629866900 /nfs/dbraw/zinc/86/69/00/629866900.db2.gz BJBJYJYLWJIWKV-ZCFIWIBFSA-N 1 2 196.077 1.372 20 0 ADADLO OC[C@H]1CC[N@H+]1CC=C(Cl)Cl 934010236 629866905 /nfs/dbraw/zinc/86/69/05/629866905.db2.gz BJBJYJYLWJIWKV-ZCFIWIBFSA-N 1 2 196.077 1.372 20 0 ADADLO OC[C@@H]1CC[N@H+]1CC=C(Cl)Cl 934010234 629867459 /nfs/dbraw/zinc/86/74/59/629867459.db2.gz BJBJYJYLWJIWKV-LURJTMIESA-N 1 2 196.077 1.372 20 0 ADADLO OC[C@@H]1CC[N@@H+]1CC=C(Cl)Cl 934010234 629867457 /nfs/dbraw/zinc/86/74/57/629867457.db2.gz BJBJYJYLWJIWKV-LURJTMIESA-N 1 2 196.077 1.372 20 0 ADADLO Cc1cnc(C[N@@H+]2CC[C@@H]2CO)s1 934015654 629873140 /nfs/dbraw/zinc/87/31/40/629873140.db2.gz GCQUXVXYKFZDRB-MRVPVSSYSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1cnc(C[N@H+]2CC[C@@H]2CO)s1 934015654 629873143 /nfs/dbraw/zinc/87/31/43/629873143.db2.gz GCQUXVXYKFZDRB-MRVPVSSYSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1cnc(C[N@@H+]2CC[C@H]2CO)s1 934015657 629873868 /nfs/dbraw/zinc/87/38/68/629873868.db2.gz GCQUXVXYKFZDRB-QMMMGPOBSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1cnc(C[N@H+]2CC[C@H]2CO)s1 934015657 629873872 /nfs/dbraw/zinc/87/38/72/629873872.db2.gz GCQUXVXYKFZDRB-QMMMGPOBSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H]2CO)o1 934017893 629875485 /nfs/dbraw/zinc/87/54/85/629875485.db2.gz TVNXUFHTZQMBSO-BDAKNGLRSA-N 1 2 196.250 1.111 20 0 ADADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H]2CO)o1 934017897 629875078 /nfs/dbraw/zinc/87/50/78/629875078.db2.gz TVNXUFHTZQMBSO-IUCAKERBSA-N 1 2 196.250 1.111 20 0 ADADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H]2CO)o1 934017897 629875079 /nfs/dbraw/zinc/87/50/79/629875079.db2.gz TVNXUFHTZQMBSO-IUCAKERBSA-N 1 2 196.250 1.111 20 0 ADADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]2CO)o1 934017893 629875484 /nfs/dbraw/zinc/87/54/84/629875484.db2.gz TVNXUFHTZQMBSO-BDAKNGLRSA-N 1 2 196.250 1.111 20 0 ADADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H]2CO)o1 934017899 629875489 /nfs/dbraw/zinc/87/54/89/629875489.db2.gz TVNXUFHTZQMBSO-RKDXNWHRSA-N 1 2 196.250 1.111 20 0 ADADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H]2CO)o1 934017899 629875490 /nfs/dbraw/zinc/87/54/90/629875490.db2.gz TVNXUFHTZQMBSO-RKDXNWHRSA-N 1 2 196.250 1.111 20 0 ADADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]2CO)o1 934017895 629876765 /nfs/dbraw/zinc/87/67/65/629876765.db2.gz TVNXUFHTZQMBSO-DTWKUNHWSA-N 1 2 196.250 1.111 20 0 ADADLO Cc1csc(C[N@@H+]2CC[C@H]2CO)n1 934020284 629876192 /nfs/dbraw/zinc/87/61/92/629876192.db2.gz ZVUCGALWEDTQTB-QMMMGPOBSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1csc(C[N@H+]2CC[C@H]2CO)n1 934020284 629876194 /nfs/dbraw/zinc/87/61/94/629876194.db2.gz ZVUCGALWEDTQTB-QMMMGPOBSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1csc(C[N@@H+]2CC[C@@H]2CO)n1 934020283 629876218 /nfs/dbraw/zinc/87/62/18/629876218.db2.gz ZVUCGALWEDTQTB-MRVPVSSYSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1csc(C[N@H+]2CC[C@@H]2CO)n1 934020283 629876219 /nfs/dbraw/zinc/87/62/19/629876219.db2.gz ZVUCGALWEDTQTB-MRVPVSSYSA-N 1 2 198.291 1.018 20 0 ADADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H]2CO)o1 934017895 629876768 /nfs/dbraw/zinc/87/67/68/629876768.db2.gz TVNXUFHTZQMBSO-DTWKUNHWSA-N 1 2 196.250 1.111 20 0 ADADLO CCCCc1nc(C[NH2+]CC)no1 51860547 629890992 /nfs/dbraw/zinc/89/09/92/629890992.db2.gz NPXMICNIGXHRTA-UHFFFAOYSA-N 1 2 183.255 1.522 20 0 ADADLO CCCCCc1nc(C[NH2+]CC)no1 51860813 629891334 /nfs/dbraw/zinc/89/13/34/629891334.db2.gz AKCVLIMBAYHUEI-UHFFFAOYSA-N 1 2 197.282 1.912 20 0 ADADLO CC(C)c1noc(C2([NH+](C)C)CC2)n1 218590227 629892322 /nfs/dbraw/zinc/89/23/22/629892322.db2.gz HQWXHIYVEUWQBJ-UHFFFAOYSA-N 1 2 195.266 1.744 20 0 ADADLO Cc1ccc(F)cc1C[NH2+][C@@H](C)C[NH3+] 162039553 629899580 /nfs/dbraw/zinc/89/95/80/629899580.db2.gz TZJWOAWUOIOMRI-VIFPVBQESA-N 1 2 196.269 1.571 20 0 ADADLO Cc1cc(C[NH2+]C/C=C/Cl)no1 235764661 629931031 /nfs/dbraw/zinc/93/10/31/629931031.db2.gz CWBAMGTXDRVBCD-NSCUHMNNSA-N 1 2 186.642 1.825 20 0 ADADLO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ncco1 926726013 629941345 /nfs/dbraw/zinc/94/13/45/629941345.db2.gz FGARXMFHPCPBTR-XKSSXDPKSA-N 1 2 196.250 1.503 20 0 ADADLO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ncco1 926726012 629939858 /nfs/dbraw/zinc/93/98/58/629939858.db2.gz FGARXMFHPCPBTR-MRTMQBJTSA-N 1 2 196.250 1.503 20 0 ADADLO CC(C)C(=O)OCCn1cc[nH+]c1 147656618 629953011 /nfs/dbraw/zinc/95/30/11/629953011.db2.gz OAMMXGAHODWLKQ-UHFFFAOYSA-N 1 2 182.223 1.082 20 0 ADADLO CCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H]1C 308154202 629990176 /nfs/dbraw/zinc/99/01/76/629990176.db2.gz SIBZMFAQKRLUHB-HRDYMLBCSA-N 1 2 185.267 1.326 20 0 ADADLO C[NH2+]Cc1noc([C@@H]2CCC[C@H]2C)n1 225426278 522159879 /nfs/dbraw/zinc/15/98/79/522159879.db2.gz HWXLGVPHDAOQPZ-HTQZYQBOSA-N 1 2 195.266 1.693 20 0 ADADLO CC[C@H]1CN(c2cccc[nH+]2)CCO1 336434491 523306041 /nfs/dbraw/zinc/30/60/41/523306041.db2.gz QVEFTCAYADQLQD-JTQLQIEISA-N 1 2 192.262 1.697 20 0 ADADLO CO[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 160537918 523358329 /nfs/dbraw/zinc/35/83/29/523358329.db2.gz UGPVJMIUCOTIJP-QMMMGPOBSA-N 1 2 194.234 1.363 20 0 ADADLO CC[C@@H]1CN(c2cccc[nH+]2)CCO1 336434492 523470159 /nfs/dbraw/zinc/47/01/59/523470159.db2.gz QVEFTCAYADQLQD-SNVBAGLBSA-N 1 2 192.262 1.697 20 0 ADADLO CN1CCCc2[nH+]cccc21 20974948 523864867 /nfs/dbraw/zinc/86/48/67/523864867.db2.gz NATRVVUJQGDXNM-UHFFFAOYSA-N 1 2 148.209 1.464 20 0 ADADLO CC[NH2+]Cc1noc(C2=CCCC2)n1 308894603 630023848 /nfs/dbraw/zinc/02/38/48/630023848.db2.gz ZCTPNHDAMXUVNU-UHFFFAOYSA-N 1 2 193.250 1.746 20 0 ADADLO C[C@H](CO)[N@H+](C)C/C(Cl)=C\Cl 228211902 630026495 /nfs/dbraw/zinc/02/64/95/630026495.db2.gz ATBWCOBZUJXITM-BTJAISLDSA-N 1 2 198.093 1.618 20 0 ADADLO C[C@H](CO)[N@@H+](C)C/C(Cl)=C\Cl 228211902 630026498 /nfs/dbraw/zinc/02/64/98/630026498.db2.gz ATBWCOBZUJXITM-BTJAISLDSA-N 1 2 198.093 1.618 20 0 ADADLO C1=C[C@@H]([NH2+]Cc2csnn2)CC1 826940278 630050554 /nfs/dbraw/zinc/05/05/54/630050554.db2.gz BMVISNGTKCNCRG-SSDOTTSWSA-N 1 2 181.264 1.346 20 0 ADADLO C1=C[C@H]([NH2+]Cc2csnn2)CC1 826940279 630050617 /nfs/dbraw/zinc/05/06/17/630050617.db2.gz BMVISNGTKCNCRG-ZETCQYMHSA-N 1 2 181.264 1.346 20 0 ADADLO COCC1([NH2+][C@@H](C)c2ncco2)CC1 925924654 630069255 /nfs/dbraw/zinc/06/92/55/630069255.db2.gz XPZYOHABOROPNH-QMMMGPOBSA-N 1 2 196.250 1.504 20 0 ADADLO COCC1([NH2+][C@H](C)c2ncco2)CC1 925924653 630069373 /nfs/dbraw/zinc/06/93/73/630069373.db2.gz XPZYOHABOROPNH-MRVPVSSYSA-N 1 2 196.250 1.504 20 0 ADADLO Cc1c[nH]nc1C[NH+]1CC2(CC2)C1 335376054 630076496 /nfs/dbraw/zinc/07/64/96/630076496.db2.gz QNZKDURHHGSCNE-UHFFFAOYSA-N 1 2 177.251 1.314 20 0 ADADLO Fc1cnccc1C[NH+]1CC2(CC2)C1 335375379 630076599 /nfs/dbraw/zinc/07/65/99/630076599.db2.gz 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OCC[C@@H]1CCCN1c1cccc[nH+]1 306215451 630086821 /nfs/dbraw/zinc/08/68/21/630086821.db2.gz HTHCGGZRYYLMRW-JTQLQIEISA-N 1 2 192.262 1.433 20 0 ADADLO OCC[C@H]1CCCN1c1cccc[nH+]1 306215452 630087384 /nfs/dbraw/zinc/08/73/84/630087384.db2.gz HTHCGGZRYYLMRW-SNVBAGLBSA-N 1 2 192.262 1.433 20 0 ADADLO CC[C@@H]1C[N@H+](C/C=C/Cl)CCO1 306234080 630088524 /nfs/dbraw/zinc/08/85/24/630088524.db2.gz LJTDIFGIYIBWCC-CDAZIORVSA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 306234080 630088526 /nfs/dbraw/zinc/08/85/26/630088526.db2.gz LJTDIFGIYIBWCC-CDAZIORVSA-N 1 2 189.686 1.850 20 0 ADADLO CSCC[N@@H+]1Cc2ccncc2C1 306258892 630088628 /nfs/dbraw/zinc/08/86/28/630088628.db2.gz SITNQSHNVJIURR-UHFFFAOYSA-N 1 2 194.303 1.760 20 0 ADADLO CSCC[N@H+]1Cc2ccncc2C1 306258892 630088633 /nfs/dbraw/zinc/08/86/33/630088633.db2.gz SITNQSHNVJIURR-UHFFFAOYSA-N 1 2 194.303 1.760 20 0 ADADLO CC[C@H]1C[N@H+](C/C=C/Cl)CCO1 306234082 630089397 /nfs/dbraw/zinc/08/93/97/630089397.db2.gz LJTDIFGIYIBWCC-NWALNABHSA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@H]1C[N@@H+](C/C=C/Cl)CCO1 306234082 630089402 /nfs/dbraw/zinc/08/94/02/630089402.db2.gz LJTDIFGIYIBWCC-NWALNABHSA-N 1 2 189.686 1.850 20 0 ADADLO OC[C@]1(F)CC[N@H+](C/C=C/Cl)C1 306280282 630093750 /nfs/dbraw/zinc/09/37/50/630093750.db2.gz ICLGWSMYSPNGRP-LKVYWMSASA-N 1 2 193.649 1.145 20 0 ADADLO OC[C@]1(F)CC[N@@H+](C/C=C/Cl)C1 306280282 630093754 /nfs/dbraw/zinc/09/37/54/630093754.db2.gz ICLGWSMYSPNGRP-LKVYWMSASA-N 1 2 193.649 1.145 20 0 ADADLO CC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 306353288 630099378 /nfs/dbraw/zinc/09/93/78/630099378.db2.gz OZJUWZLQVDYBJP-ZETCQYMHSA-N 1 2 195.184 1.460 20 0 ADADLO CC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 306353288 630099379 /nfs/dbraw/zinc/09/93/79/630099379.db2.gz OZJUWZLQVDYBJP-ZETCQYMHSA-N 1 2 195.184 1.460 20 0 ADADLO CC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 306353274 630101064 /nfs/dbraw/zinc/10/10/64/630101064.db2.gz OZJUWZLQVDYBJP-SSDOTTSWSA-N 1 2 195.184 1.460 20 0 ADADLO CC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 306353274 630101070 /nfs/dbraw/zinc/10/10/70/630101070.db2.gz OZJUWZLQVDYBJP-SSDOTTSWSA-N 1 2 195.184 1.460 20 0 ADADLO CC[C@]1(C)C[N@H+](CCF)CCO1 306407413 630102540 /nfs/dbraw/zinc/10/25/40/630102540.db2.gz ZASIIMXDAMWQOT-SECBINFHSA-N 1 2 175.247 1.457 20 0 ADADLO CC[C@]1(C)C[N@@H+](CCF)CCO1 306407413 630102543 /nfs/dbraw/zinc/10/25/43/630102543.db2.gz ZASIIMXDAMWQOT-SECBINFHSA-N 1 2 175.247 1.457 20 0 ADADLO CC[C@@]1(C)C[N@H+](CCF)CCO1 306407414 630102676 /nfs/dbraw/zinc/10/26/76/630102676.db2.gz ZASIIMXDAMWQOT-VIFPVBQESA-N 1 2 175.247 1.457 20 0 ADADLO CC[C@@]1(C)C[N@@H+](CCF)CCO1 306407414 630102685 /nfs/dbraw/zinc/10/26/85/630102685.db2.gz ZASIIMXDAMWQOT-VIFPVBQESA-N 1 2 175.247 1.457 20 0 ADADLO CC1(C)COCC[N@@H+]1C/C=C/Cl 306431995 630109012 /nfs/dbraw/zinc/10/90/12/630109012.db2.gz SCLSDJOVBIVHDY-ONEGZZNKSA-N 1 2 189.686 1.850 20 0 ADADLO CC1(C)COCC[N@H+]1C/C=C/Cl 306431995 630109016 /nfs/dbraw/zinc/10/90/16/630109016.db2.gz SCLSDJOVBIVHDY-ONEGZZNKSA-N 1 2 189.686 1.850 20 0 ADADLO CC(C)[C@@H]1C[N@H+](CCF)CCO1 306640259 630124717 /nfs/dbraw/zinc/12/47/17/630124717.db2.gz PFCSWLBFIRKMGR-VIFPVBQESA-N 1 2 175.247 1.313 20 0 ADADLO CC(C)[C@@H]1C[N@@H+](CCF)CCO1 306640259 630124752 /nfs/dbraw/zinc/12/47/52/630124752.db2.gz PFCSWLBFIRKMGR-VIFPVBQESA-N 1 2 175.247 1.313 20 0 ADADLO CC(C)[C@H]1C[N@H+](CCF)CCO1 306640257 630125788 /nfs/dbraw/zinc/12/57/88/630125788.db2.gz PFCSWLBFIRKMGR-SECBINFHSA-N 1 2 175.247 1.313 20 0 ADADLO CC(C)[C@H]1C[N@@H+](CCF)CCO1 306640257 630125796 /nfs/dbraw/zinc/12/57/96/630125796.db2.gz PFCSWLBFIRKMGR-SECBINFHSA-N 1 2 175.247 1.313 20 0 ADADLO CC1(C)CC[C@H]1[NH2+]Cc1cn[nH]n1 306828106 630133435 /nfs/dbraw/zinc/13/34/35/630133435.db2.gz FFTWMSBOKQCWMJ-MRVPVSSYSA-N 1 2 180.255 1.083 20 0 ADADLO CN1C(=O)C2(CCCC2)[NH2+][C@@H]1C1CC1 306705474 630130246 /nfs/dbraw/zinc/13/02/46/630130246.db2.gz IFZMBRYERMRMTI-VIFPVBQESA-N 1 2 194.278 1.097 20 0 ADADLO CN1C(=O)C2(CCCC2)[NH2+][C@H]1C1CC1 306705468 630130867 /nfs/dbraw/zinc/13/08/67/630130867.db2.gz IFZMBRYERMRMTI-SECBINFHSA-N 1 2 194.278 1.097 20 0 ADADLO CC(C)=CC(=O)NCc1c[nH+]cn1C 306738629 630132395 /nfs/dbraw/zinc/13/23/95/630132395.db2.gz AMSKQCCGBBWAMX-UHFFFAOYSA-N 1 2 193.250 1.003 20 0 ADADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)F 306731219 630132513 /nfs/dbraw/zinc/13/25/13/630132513.db2.gz FWNFUJVIFBGRQT-UHFFFAOYSA-N 1 2 199.229 1.082 20 0 ADADLO CC1(C)CC[C@H]1[NH2+]Cc1c[nH]nn1 306828106 630133429 /nfs/dbraw/zinc/13/34/29/630133429.db2.gz FFTWMSBOKQCWMJ-MRVPVSSYSA-N 1 2 180.255 1.083 20 0 ADADLO COC(=O)NCc1c[nH+]c(C)cc1C 306860188 630133620 /nfs/dbraw/zinc/13/36/20/630133620.db2.gz FSRXCAWXDZHJPB-UHFFFAOYSA-N 1 2 194.234 1.554 20 0 ADADLO CC1(C)CC[C@@H]1[NH2+]Cc1c[nH]nn1 306828107 630134670 /nfs/dbraw/zinc/13/46/70/630134670.db2.gz FFTWMSBOKQCWMJ-QMMMGPOBSA-N 1 2 180.255 1.083 20 0 ADADLO CC1(C)CC[C@@H]1[NH2+]Cc1cn[nH]n1 306828107 630134673 /nfs/dbraw/zinc/13/46/73/630134673.db2.gz FFTWMSBOKQCWMJ-QMMMGPOBSA-N 1 2 180.255 1.083 20 0 ADADLO Cc1cnc(C[NH2+]C2CSC2)o1 306942408 630138910 /nfs/dbraw/zinc/13/89/10/630138910.db2.gz IKLZVBJZNCWECT-UHFFFAOYSA-N 1 2 184.264 1.188 20 0 ADADLO C[C@H]1COCC[N@@H+]1C/C=C/Cl 306972177 630140342 /nfs/dbraw/zinc/14/03/42/630140342.db2.gz VSUGZZFFLUYWGJ-SGJFDWMWSA-N 1 2 175.659 1.460 20 0 ADADLO C[C@H]1COCC[N@H+]1C/C=C/Cl 306972177 630140344 /nfs/dbraw/zinc/14/03/44/630140344.db2.gz VSUGZZFFLUYWGJ-SGJFDWMWSA-N 1 2 175.659 1.460 20 0 ADADLO Clc1cnn(C[NH+]2CCCC2)c1 307105864 630145600 /nfs/dbraw/zinc/14/56/00/630145600.db2.gz XYQLWAYANUILKH-UHFFFAOYSA-N 1 2 185.658 1.590 20 0 ADADLO Clc1cnn(C[NH+]2CCCCC2)c1 307192891 630153655 /nfs/dbraw/zinc/15/36/55/630153655.db2.gz MOGSRKUIBXTSFV-UHFFFAOYSA-N 1 2 199.685 1.980 20 0 ADADLO CC(C)=CC(=O)NCc1[nH]c[nH+]c1C 307231299 630155494 /nfs/dbraw/zinc/15/54/94/630155494.db2.gz LBHZWVNHPARYTN-UHFFFAOYSA-N 1 2 193.250 1.301 20 0 ADADLO Cc1cc(C[NH2+]C2CSC2)no1 307277600 630156339 /nfs/dbraw/zinc/15/63/39/630156339.db2.gz RWYPGXAVKKFOGW-UHFFFAOYSA-N 1 2 184.264 1.188 20 0 ADADLO Cc1oncc1Cn1cc[nH+]c1 307243070 630156539 /nfs/dbraw/zinc/15/65/39/630156539.db2.gz SNJCJBVCJZHWHN-UHFFFAOYSA-N 1 2 163.180 1.228 20 0 ADADLO CC(C)(C)[C@H]1C[N@H+](CCF)CCO1 307555942 630171513 /nfs/dbraw/zinc/17/15/13/630171513.db2.gz UBUSTMBRFRRADF-SECBINFHSA-N 1 2 189.274 1.703 20 0 ADADLO CC(C)(C)[C@H]1C[N@@H+](CCF)CCO1 307555942 630171517 /nfs/dbraw/zinc/17/15/17/630171517.db2.gz UBUSTMBRFRRADF-SECBINFHSA-N 1 2 189.274 1.703 20 0 ADADLO CC(C)(C)[C@@H]1C[N@H+](CCF)CCO1 307555944 630172676 /nfs/dbraw/zinc/17/26/76/630172676.db2.gz UBUSTMBRFRRADF-VIFPVBQESA-N 1 2 189.274 1.703 20 0 ADADLO CC(C)(C)[C@@H]1C[N@@H+](CCF)CCO1 307555944 630172680 /nfs/dbraw/zinc/17/26/80/630172680.db2.gz UBUSTMBRFRRADF-VIFPVBQESA-N 1 2 189.274 1.703 20 0 ADADLO COCC[N@@H+]1Cc2ccncc2C1 307742324 630187463 /nfs/dbraw/zinc/18/74/63/630187463.db2.gz KGNJNPVPOYZPPA-UHFFFAOYSA-N 1 2 178.235 1.044 20 0 ADADLO COCC[N@H+]1Cc2ccncc2C1 307742324 630187470 /nfs/dbraw/zinc/18/74/70/630187470.db2.gz KGNJNPVPOYZPPA-UHFFFAOYSA-N 1 2 178.235 1.044 20 0 ADADLO C[N@H+](CN1CCSC1=O)C1CC1 307745870 630191491 /nfs/dbraw/zinc/19/14/91/630191491.db2.gz SZLLWPLOQYDOAA-UHFFFAOYSA-N 1 2 186.280 1.207 20 0 ADADLO C[N@@H+](CN1CCSC1=O)C1CC1 307745870 630191505 /nfs/dbraw/zinc/19/15/05/630191505.db2.gz SZLLWPLOQYDOAA-UHFFFAOYSA-N 1 2 186.280 1.207 20 0 ADADLO CC1(C)C[N@H+](C/C=C\Cl)CCO1 308029906 630199838 /nfs/dbraw/zinc/19/98/38/630199838.db2.gz INWQIYGMZXDEGX-ARJAWSKDSA-N 1 2 189.686 1.850 20 0 ADADLO CC1(C)C[N@@H+](C/C=C\Cl)CCO1 308029906 630199841 /nfs/dbraw/zinc/19/98/41/630199841.db2.gz INWQIYGMZXDEGX-ARJAWSKDSA-N 1 2 189.686 1.850 20 0 ADADLO COCC1C[NH+](Cc2ncc(C)o2)C1 895969881 630227332 /nfs/dbraw/zinc/22/73/32/630227332.db2.gz QENVXMGSBLGFHJ-UHFFFAOYSA-N 1 2 196.250 1.061 20 0 ADADLO CCc1noc(C2([NH+](C)C)CC2)n1 895966264 630227645 /nfs/dbraw/zinc/22/76/45/630227645.db2.gz MPHUMIZTFKLQFS-UHFFFAOYSA-N 1 2 181.239 1.183 20 0 ADADLO COCC1C[NH+](Cc2cc(C)on2)C1 895969653 630230078 /nfs/dbraw/zinc/23/00/78/630230078.db2.gz IHIQIFQKVWGBNC-UHFFFAOYSA-N 1 2 196.250 1.061 20 0 ADADLO COCC1C[NH+](Cc2nccs2)C1 895971944 630232341 /nfs/dbraw/zinc/23/23/41/630232341.db2.gz YKMKEAHAECLTNK-UHFFFAOYSA-N 1 2 198.291 1.221 20 0 ADADLO C[C@H]1CCCN(c2cc(N)nc[nH+]2)C1 72192625 524103332 /nfs/dbraw/zinc/10/33/32/524103332.db2.gz UTMFRXSTUDERDB-QMMMGPOBSA-N 1 2 192.266 1.295 20 0 ADADLO C[C@@H]1CCCCN1c1cc(N)nc[nH+]1 72192622 524117727 /nfs/dbraw/zinc/11/77/27/524117727.db2.gz FKXYZVVXPRCVIR-MRVPVSSYSA-N 1 2 192.266 1.438 20 0 ADADLO CC(C)Cc1noc([C@@H](C)[NH+](C)C)n1 923753491 630386613 /nfs/dbraw/zinc/38/66/13/630386613.db2.gz SYQMPTNCANLEBM-MRVPVSSYSA-N 1 2 197.282 1.891 20 0 ADADLO C[C@@H]1CCCN(c2cc(N)nc[nH+]2)C1 72192624 524247177 /nfs/dbraw/zinc/24/71/77/524247177.db2.gz UTMFRXSTUDERDB-MRVPVSSYSA-N 1 2 192.266 1.295 20 0 ADADLO C[C@H](c1nc(C2CC2)no1)[NH+](C)C 923802510 630508407 /nfs/dbraw/zinc/50/84/07/630508407.db2.gz ZBOKRVLHEDGQCP-ZCFIWIBFSA-N 1 2 181.239 1.570 20 0 ADADLO COC[C@H]([NH3+])c1nc(C(C)(C)C)no1 88001103 630748238 /nfs/dbraw/zinc/74/82/38/630748238.db2.gz SFQRBYPMGGGDKL-LURJTMIESA-N 1 2 199.254 1.013 20 0 ADADLO CC[NH2+]Cc1noc([C@H](C)C2CC2)n1 164060057 630750608 /nfs/dbraw/zinc/75/06/08/630750608.db2.gz VETKNUCSACSAKY-SSDOTTSWSA-N 1 2 195.266 1.693 20 0 ADADLO CC(C)=CCNC(=O)Cc1c[nH]c[nH+]1 907688023 630752954 /nfs/dbraw/zinc/75/29/54/630752954.db2.gz LUHXXDYBLSPLQE-UHFFFAOYSA-N 1 2 193.250 1.035 20 0 ADADLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+](C)C 350599523 630753618 /nfs/dbraw/zinc/75/36/18/630753618.db2.gz QLVKQNBLVONGDB-ZETCQYMHSA-N 1 2 197.282 1.990 20 0 ADADLO C[N@H+](CCOC1CC1)Cc1ccon1 929696632 630754101 /nfs/dbraw/zinc/75/41/01/630754101.db2.gz NAMIKPZJHJFMIM-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO C[N@@H+](CCOC1CC1)Cc1ccon1 929696632 630754102 /nfs/dbraw/zinc/75/41/02/630754102.db2.gz NAMIKPZJHJFMIM-UHFFFAOYSA-N 1 2 196.250 1.285 20 0 ADADLO CC(C)Cc1noc([C@H](C)[NH+](C)C)n1 350601860 630754124 /nfs/dbraw/zinc/75/41/24/630754124.db2.gz SYQMPTNCANLEBM-QMMMGPOBSA-N 1 2 197.282 1.891 20 0 ADADLO CC1(C)CC[N@H+](Cc2nncs2)C1 929751078 630759264 /nfs/dbraw/zinc/75/92/64/630759264.db2.gz XWSQVBYCAZPWDC-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC1(C)CC[N@@H+](Cc2nncs2)C1 929751078 630759270 /nfs/dbraw/zinc/75/92/70/630759270.db2.gz XWSQVBYCAZPWDC-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CCC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 908548684 630773908 /nfs/dbraw/zinc/77/39/08/630773908.db2.gz KTVNSNOANFSNMB-UHFFFAOYSA-N 1 2 193.250 1.011 20 0 ADADLO Cn1c(Cl)cnc1C[N@H+](C)C1CC1 914788962 630774058 /nfs/dbraw/zinc/77/40/58/630774058.db2.gz HWAUHTSGEDDWML-UHFFFAOYSA-N 1 2 199.685 1.668 20 0 ADADLO Cn1c(Cl)cnc1C[N@@H+](C)C1CC1 914788962 630774069 /nfs/dbraw/zinc/77/40/69/630774069.db2.gz HWAUHTSGEDDWML-UHFFFAOYSA-N 1 2 199.685 1.668 20 0 ADADLO CC/C=C/CNC(=O)Cc1c[nH]c[nH+]1 908675859 630775753 /nfs/dbraw/zinc/77/57/53/630775753.db2.gz VIALNDSUPOGQRI-ONEGZZNKSA-N 1 2 193.250 1.035 20 0 ADADLO CC/C=C\CNC(=O)Cc1c[nH]c[nH+]1 908675858 630776410 /nfs/dbraw/zinc/77/64/10/630776410.db2.gz VIALNDSUPOGQRI-ARJAWSKDSA-N 1 2 193.250 1.035 20 0 ADADLO CC[N@@H+](Cc1noc(C)n1)C(C)C 917089385 630791204 /nfs/dbraw/zinc/79/12/04/630791204.db2.gz SPQMSPNRUSLCBK-UHFFFAOYSA-N 1 2 183.255 1.608 20 0 ADADLO CC[N@H+](Cc1noc(C)n1)C(C)C 917089385 630791201 /nfs/dbraw/zinc/79/12/01/630791201.db2.gz SPQMSPNRUSLCBK-UHFFFAOYSA-N 1 2 183.255 1.608 20 0 ADADLO CC[N@H+](C)Cc1ncc(Cl)n1C 917212677 630792797 /nfs/dbraw/zinc/79/27/97/630792797.db2.gz NSSPASSEXWIZFH-UHFFFAOYSA-N 1 2 187.674 1.525 20 0 ADADLO CC[N@@H+](C)Cc1ncc(Cl)n1C 917212677 630792806 /nfs/dbraw/zinc/79/28/06/630792806.db2.gz NSSPASSEXWIZFH-UHFFFAOYSA-N 1 2 187.674 1.525 20 0 ADADLO CCc1ncc(Cn2cc[nH+]c2)o1 917359708 630794540 /nfs/dbraw/zinc/79/45/40/630794540.db2.gz SPEHJLUDJKHIJU-UHFFFAOYSA-N 1 2 177.207 1.482 20 0 ADADLO CC(=O)OCCn1cc[nH+]c1C1CC1 918456243 630804622 /nfs/dbraw/zinc/80/46/22/630804622.db2.gz RCZVVYSNCSSGGW-UHFFFAOYSA-N 1 2 194.234 1.324 20 0 ADADLO CCc1nc(C[N@@H+](CC)C(C)C)no1 919771041 630811885 /nfs/dbraw/zinc/81/18/85/630811885.db2.gz ZDACKUFUAZVVNZ-UHFFFAOYSA-N 1 2 197.282 1.862 20 0 ADADLO CCc1nc(C[N@H+](CC)C(C)C)no1 919771041 630811886 /nfs/dbraw/zinc/81/18/86/630811886.db2.gz ZDACKUFUAZVVNZ-UHFFFAOYSA-N 1 2 197.282 1.862 20 0 ADADLO CC[NH+](CC)Cc1nncs1 929204807 630822975 /nfs/dbraw/zinc/82/29/75/630822975.db2.gz NXGOEWLITLDMDS-UHFFFAOYSA-N 1 2 171.269 1.380 20 0 ADADLO CC[NH2+]Cc1noc([C@@H](C)C2CC2)n1 164059945 630832359 /nfs/dbraw/zinc/83/23/59/630832359.db2.gz VETKNUCSACSAKY-ZETCQYMHSA-N 1 2 195.266 1.693 20 0 ADADLO CC[NH2+]Cc1noc(C[C@@H](C)CC)n1 164659249 630834074 /nfs/dbraw/zinc/83/40/74/630834074.db2.gz YWRHJBHJRGRFMC-QMMMGPOBSA-N 1 2 197.282 1.768 20 0 ADADLO CC[NH2+]Cc1noc(C[C@H](C)CC)n1 164659158 630836098 /nfs/dbraw/zinc/83/60/98/630836098.db2.gz YWRHJBHJRGRFMC-MRVPVSSYSA-N 1 2 197.282 1.768 20 0 ADADLO CCN(CC)C(=O)CCn1cc[nH+]c1 199625445 630836685 /nfs/dbraw/zinc/83/66/85/630836685.db2.gz FXZSVWVDOZWWGA-UHFFFAOYSA-N 1 2 195.266 1.142 20 0 ADADLO CC1CC[NH+](Cc2nncs2)CC1 929214631 630837274 /nfs/dbraw/zinc/83/72/74/630837274.db2.gz DEMYQPZFWOVMQE-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CCC(=O)NC1C[NH+](CC=C(C)C)C1 1030036977 630838821 /nfs/dbraw/zinc/83/88/21/630838821.db2.gz NPPCTNRCYCILRA-UHFFFAOYSA-N 1 2 196.294 1.163 20 0 ADADLO Cc1ccc(C=O)cc1-n1cc[nH+]c1 164878464 630839467 /nfs/dbraw/zinc/83/94/67/630839467.db2.gz OJAKLMMSAICAJF-UHFFFAOYSA-N 1 2 186.214 1.993 20 0 ADADLO CCc1noc(CCn2cc[nH+]c2)n1 349863902 630854429 /nfs/dbraw/zinc/85/44/29/630854429.db2.gz OIBPJUASEILZHY-UHFFFAOYSA-N 1 2 192.222 1.071 20 0 ADADLO OCCC[N@H+](CC(F)F)C1CCC1 228064108 630860485 /nfs/dbraw/zinc/86/04/85/630860485.db2.gz FXBQXRYGWWCYBI-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO OCCC[N@@H+](CC(F)F)C1CCC1 228064108 630860494 /nfs/dbraw/zinc/86/04/94/630860494.db2.gz FXBQXRYGWWCYBI-UHFFFAOYSA-N 1 2 193.237 1.488 20 0 ADADLO CCC(=O)OCc1ccc[nH+]c1N 922177885 630867697 /nfs/dbraw/zinc/86/76/97/630867697.db2.gz LNRNHJAARZJHKV-UHFFFAOYSA-N 1 2 180.207 1.117 20 0 ADADLO CCOC(=O)/C=C/Cn1cc[nH+]c1 87638281 630868568 /nfs/dbraw/zinc/86/85/68/630868568.db2.gz KSGALSDJNLWHJE-ONEGZZNKSA-N 1 2 180.207 1.002 20 0 ADADLO CCCC(=O)OCc1ccc[nH+]c1N 922176262 630868761 /nfs/dbraw/zinc/86/87/61/630868761.db2.gz UBWUYMVGFQJRQM-UHFFFAOYSA-N 1 2 194.234 1.507 20 0 ADADLO CC(C)C(=O)OCc1ccc[nH+]c1N 922173842 630869457 /nfs/dbraw/zinc/86/94/57/630869457.db2.gz BCOLEXAHSFTPLC-UHFFFAOYSA-N 1 2 194.234 1.363 20 0 ADADLO Nc1[nH+]cccc1COC(=O)C1CC1 922178334 630870045 /nfs/dbraw/zinc/87/00/45/630870045.db2.gz POWWIDFCLGDVQU-UHFFFAOYSA-N 1 2 192.218 1.117 20 0 ADADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccn[nH]1 922511517 630874664 /nfs/dbraw/zinc/87/46/64/630874664.db2.gz NRJSFINVOUAXBZ-CZULRBLNSA-N 1 2 191.278 1.544 20 0 ADADLO CCC[C@@H](O)CC[NH2+]Cc1ccn[nH]1 922825597 630876560 /nfs/dbraw/zinc/87/65/60/630876560.db2.gz RBKAEWAKMDQEEA-SNVBAGLBSA-N 1 2 197.282 1.050 20 0 ADADLO CCC[C@H](O)CC[NH2+]Cc1ccn[nH]1 922825596 630877526 /nfs/dbraw/zinc/87/75/26/630877526.db2.gz RBKAEWAKMDQEEA-JTQLQIEISA-N 1 2 197.282 1.050 20 0 ADADLO CCCN(CC)c1cc(NC)[nH+]cn1 87809063 630877528 /nfs/dbraw/zinc/87/75/28/630877528.db2.gz GMOYUYWGNGRPCZ-UHFFFAOYSA-N 1 2 194.282 1.755 20 0 ADADLO CCCN(CC)c1cc(NC)nc[nH+]1 87809063 630877531 /nfs/dbraw/zinc/87/75/31/630877531.db2.gz GMOYUYWGNGRPCZ-UHFFFAOYSA-N 1 2 194.282 1.755 20 0 ADADLO FC(F)(F)CC[NH2+]Cc1c[nH]cn1 63099674 630888652 /nfs/dbraw/zinc/88/86/52/630888652.db2.gz KRGNPQUMWSSJTE-UHFFFAOYSA-N 1 2 193.172 1.452 20 0 ADADLO CCO[C@H]1CCN(c2cccc[nH+]2)C1 231381616 630890272 /nfs/dbraw/zinc/89/02/72/630890272.db2.gz YPCHQDAYYMOUNN-JTQLQIEISA-N 1 2 192.262 1.697 20 0 ADADLO CC(C)C(=O)OCCc1c[nH+]cn1C 793255086 630926790 /nfs/dbraw/zinc/92/67/90/630926790.db2.gz ZZOQTBNYUBEFJX-UHFFFAOYSA-N 1 2 196.250 1.162 20 0 ADADLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H]1C 825117556 630943221 /nfs/dbraw/zinc/94/32/21/630943221.db2.gz HCRCGFTUMVCSGA-GUBZILKMSA-N 1 2 199.294 1.715 20 0 ADADLO Cc1nonc1C[NH+](C1CC1)C1CC1 859627538 631001309 /nfs/dbraw/zinc/00/13/09/631001309.db2.gz NESGCZRJUQMIJT-UHFFFAOYSA-N 1 2 193.250 1.505 20 0 ADADLO c1nonc1C[NH+](C1CC1)C1CC1 859627430 631002861 /nfs/dbraw/zinc/00/28/61/631002861.db2.gz SBWMVAZALXREMX-UHFFFAOYSA-N 1 2 179.223 1.196 20 0 ADADLO C[C@H]1CN(c2cccc[nH+]2)CCO1 306873576 524673707 /nfs/dbraw/zinc/67/37/07/524673707.db2.gz XZHOITKUEZYQQA-VIFPVBQESA-N 1 2 178.235 1.307 20 0 ADADLO C[C@H]1CN(c2cccc[nH+]2)CC[C@@H]1O 127128766 524674022 /nfs/dbraw/zinc/67/40/22/524674022.db2.gz GBMYQWQWIQTDEQ-UWVGGRQHSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@H]1CN(c2cccc[nH+]2)CC[C@H]1O 253176358 524674201 /nfs/dbraw/zinc/67/42/01/524674201.db2.gz GBMYQWQWIQTDEQ-VHSXEESVSA-N 1 2 192.262 1.289 20 0 ADADLO CCn1cc(C[N@H+]2CC=CCC2)nn1 887547804 631025983 /nfs/dbraw/zinc/02/59/83/631025983.db2.gz YPZLSTXDXICJNR-UHFFFAOYSA-N 1 2 192.266 1.060 20 0 ADADLO CCn1cc(C[N@@H+]2CC=CCC2)nn1 887547804 631025990 /nfs/dbraw/zinc/02/59/90/631025990.db2.gz YPZLSTXDXICJNR-UHFFFAOYSA-N 1 2 192.266 1.060 20 0 ADADLO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ncco1 924955442 631037175 /nfs/dbraw/zinc/03/71/75/631037175.db2.gz QHDNHQBARCYBBL-DTWKUNHWSA-N 1 2 195.266 1.029 20 0 ADADLO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ncco1 924955441 631037838 /nfs/dbraw/zinc/03/78/38/631037838.db2.gz QHDNHQBARCYBBL-BDAKNGLRSA-N 1 2 195.266 1.029 20 0 ADADLO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ncco1 924955444 631038318 /nfs/dbraw/zinc/03/83/18/631038318.db2.gz QHDNHQBARCYBBL-RKDXNWHRSA-N 1 2 195.266 1.029 20 0 ADADLO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ncco1 924955443 631038946 /nfs/dbraw/zinc/03/89/46/631038946.db2.gz QHDNHQBARCYBBL-IUCAKERBSA-N 1 2 195.266 1.029 20 0 ADADLO COc1cc([C@@H](C)[NH2+]CCF)on1 926349455 631059496 /nfs/dbraw/zinc/05/94/96/631059496.db2.gz ZFSLEGUZCBYKQB-ZCFIWIBFSA-N 1 2 188.202 1.303 20 0 ADADLO COc1cc([C@H](C)[NH2+]CCF)on1 926349454 631061163 /nfs/dbraw/zinc/06/11/63/631061163.db2.gz ZFSLEGUZCBYKQB-LURJTMIESA-N 1 2 188.202 1.303 20 0 ADADLO CCCC[N@H+](C)Cc1nncs1 929125223 631080493 /nfs/dbraw/zinc/08/04/93/631080493.db2.gz PJIUDBHKOQYECT-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO CCCC[N@@H+](C)Cc1nncs1 929125223 631080497 /nfs/dbraw/zinc/08/04/97/631080497.db2.gz PJIUDBHKOQYECT-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO C[C@H]1CCCC[N@@H+]1Cc1nncs1 929218726 631085017 /nfs/dbraw/zinc/08/50/17/631085017.db2.gz TYIORXDBHFQKBY-QMMMGPOBSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@H]1CCCC[N@H+]1Cc1nncs1 929218726 631085022 /nfs/dbraw/zinc/08/50/22/631085022.db2.gz TYIORXDBHFQKBY-QMMMGPOBSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@H]1CCC[N@H+](Cc2nncs2)C1 929212273 631085714 /nfs/dbraw/zinc/08/57/14/631085714.db2.gz UEFIQVIJXPPCGA-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@H]1CCC[N@@H+](Cc2nncs2)C1 929212273 631085722 /nfs/dbraw/zinc/08/57/22/631085722.db2.gz UEFIQVIJXPPCGA-QMMMGPOBSA-N 1 2 197.307 1.770 20 0 ADADLO c1nnc(C[NH+]2CCCCC2)s1 929237898 631085759 /nfs/dbraw/zinc/08/57/59/631085759.db2.gz LIAZYEXKYYNIPK-UHFFFAOYSA-N 1 2 183.280 1.524 20 0 ADADLO C[C@@H]1CCCC[N@@H+]1Cc1nncs1 929218725 631085831 /nfs/dbraw/zinc/08/58/31/631085831.db2.gz TYIORXDBHFQKBY-MRVPVSSYSA-N 1 2 197.307 1.913 20 0 ADADLO C[C@@H]1CCCC[N@H+]1Cc1nncs1 929218725 631085839 /nfs/dbraw/zinc/08/58/39/631085839.db2.gz TYIORXDBHFQKBY-MRVPVSSYSA-N 1 2 197.307 1.913 20 0 ADADLO c1nnc(C[NH+]2CCCC2)s1 929211676 631085926 /nfs/dbraw/zinc/08/59/26/631085926.db2.gz IVOBOSTWJJSYAE-UHFFFAOYSA-N 1 2 169.253 1.134 20 0 ADADLO CON(C)Cc1cc(C)cc(C)[nH+]1 929238641 631087025 /nfs/dbraw/zinc/08/70/25/631087025.db2.gz PTAOJSIYOSYYGE-UHFFFAOYSA-N 1 2 180.251 1.692 20 0 ADADLO C[C@@H]1CCC[N@H+](Cc2nncs2)C1 929212272 631087225 /nfs/dbraw/zinc/08/72/25/631087225.db2.gz UEFIQVIJXPPCGA-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO C[C@@H]1CCC[N@@H+](Cc2nncs2)C1 929212272 631087229 /nfs/dbraw/zinc/08/72/29/631087229.db2.gz UEFIQVIJXPPCGA-MRVPVSSYSA-N 1 2 197.307 1.770 20 0 ADADLO c1nnc(C[NH+]2C3CCC2CC3)s1 929248190 631088333 /nfs/dbraw/zinc/08/83/33/631088333.db2.gz OUIXJECLPSQLGF-UHFFFAOYSA-N 1 2 195.291 1.665 20 0 ADADLO CC(C)[N@H+](Cc1nncs1)C1CC1 929270755 631089525 /nfs/dbraw/zinc/08/95/25/631089525.db2.gz JFJUBHZLBQEXKM-UHFFFAOYSA-N 1 2 197.307 1.911 20 0 ADADLO CC(C)[N@@H+](Cc1nncs1)C1CC1 929270755 631089529 /nfs/dbraw/zinc/08/95/29/631089529.db2.gz JFJUBHZLBQEXKM-UHFFFAOYSA-N 1 2 197.307 1.911 20 0 ADADLO C[N@@H+](Cc1nncs1)CC1CC1 929290652 631089759 /nfs/dbraw/zinc/08/97/59/631089759.db2.gz ZLFYECFOFXCNKD-UHFFFAOYSA-N 1 2 183.280 1.380 20 0 ADADLO C[N@H+](Cc1nncs1)CC1CC1 929290652 631089764 /nfs/dbraw/zinc/08/97/64/631089764.db2.gz ZLFYECFOFXCNKD-UHFFFAOYSA-N 1 2 183.280 1.380 20 0 ADADLO CC(C)C[N@H+](C)Cc1nncs1 929362180 631090837 /nfs/dbraw/zinc/09/08/37/631090837.db2.gz OFCHOJZCTLYGQK-UHFFFAOYSA-N 1 2 185.296 1.626 20 0 ADADLO CC(C)C[N@@H+](C)Cc1nncs1 929362180 631090838 /nfs/dbraw/zinc/09/08/38/631090838.db2.gz OFCHOJZCTLYGQK-UHFFFAOYSA-N 1 2 185.296 1.626 20 0 ADADLO COCC[N@H+](C)[C@@H](C)c1ncccn1 929318796 631092170 /nfs/dbraw/zinc/09/21/70/631092170.db2.gz CGMXUGDZTSXSPI-VIFPVBQESA-N 1 2 195.266 1.116 20 0 ADADLO COCC[N@@H+](C)[C@@H](C)c1ncccn1 929318796 631092172 /nfs/dbraw/zinc/09/21/72/631092172.db2.gz CGMXUGDZTSXSPI-VIFPVBQESA-N 1 2 195.266 1.116 20 0 ADADLO CC[N@H+](Cc1nncs1)C(C)C 929317344 631092713 /nfs/dbraw/zinc/09/27/13/631092713.db2.gz ZNIBWTLMZVHGKD-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO CC[N@@H+](Cc1nncs1)C(C)C 929317344 631092717 /nfs/dbraw/zinc/09/27/17/631092717.db2.gz ZNIBWTLMZVHGKD-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO COCC[N@H+](C)[C@H](C)c1ncccn1 929318795 631092818 /nfs/dbraw/zinc/09/28/18/631092818.db2.gz CGMXUGDZTSXSPI-SECBINFHSA-N 1 2 195.266 1.116 20 0 ADADLO COCC[N@@H+](C)[C@H](C)c1ncccn1 929318795 631092821 /nfs/dbraw/zinc/09/28/21/631092821.db2.gz CGMXUGDZTSXSPI-SECBINFHSA-N 1 2 195.266 1.116 20 0 ADADLO CCC[N@H+](CC)Cc1nncs1 929367118 631092883 /nfs/dbraw/zinc/09/28/83/631092883.db2.gz TXRWZXLNPJNBRT-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO CCC[N@@H+](CC)Cc1nncs1 929367118 631092885 /nfs/dbraw/zinc/09/28/85/631092885.db2.gz TXRWZXLNPJNBRT-UHFFFAOYSA-N 1 2 185.296 1.770 20 0 ADADLO CCC[N@H+](CC(F)F)[C@H](CC)CO 929466161 631094800 /nfs/dbraw/zinc/09/48/00/631094800.db2.gz JXQBVETUUPMFEU-MRVPVSSYSA-N 1 2 195.253 1.734 20 0 ADADLO CCC[N@@H+](CC(F)F)[C@H](CC)CO 929466161 631094805 /nfs/dbraw/zinc/09/48/05/631094805.db2.gz JXQBVETUUPMFEU-MRVPVSSYSA-N 1 2 195.253 1.734 20 0 ADADLO CCC[N@H+](CC(F)F)[C@@H](CC)CO 929466162 631095373 /nfs/dbraw/zinc/09/53/73/631095373.db2.gz JXQBVETUUPMFEU-QMMMGPOBSA-N 1 2 195.253 1.734 20 0 ADADLO CCC[N@@H+](CC(F)F)[C@@H](CC)CO 929466162 631095377 /nfs/dbraw/zinc/09/53/77/631095377.db2.gz JXQBVETUUPMFEU-QMMMGPOBSA-N 1 2 195.253 1.734 20 0 ADADLO CC[N@H+](Cc1nncs1)C1CCC1 929678432 631097866 /nfs/dbraw/zinc/09/78/66/631097866.db2.gz BOONKQSBSRYBDL-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO CC[N@@H+](Cc1nncs1)C1CCC1 929678432 631097870 /nfs/dbraw/zinc/09/78/70/631097870.db2.gz BOONKQSBSRYBDL-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO CCC[N@H+](Cc1nncs1)C1CC1 929515282 631098045 /nfs/dbraw/zinc/09/80/45/631098045.db2.gz CNZBOBYUTWTDPT-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO CCC[N@@H+](Cc1nncs1)C1CC1 929515282 631098050 /nfs/dbraw/zinc/09/80/50/631098050.db2.gz CNZBOBYUTWTDPT-UHFFFAOYSA-N 1 2 197.307 1.913 20 0 ADADLO C[N@@H+](Cc1nncs1)C1CCC1 929719769 631098946 /nfs/dbraw/zinc/09/89/46/631098946.db2.gz HBAGHTCMGKQHLL-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO C[N@H+](Cc1nncs1)C1CCC1 929719769 631098940 /nfs/dbraw/zinc/09/89/40/631098940.db2.gz HBAGHTCMGKQHLL-UHFFFAOYSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@H]1CCC[N@@H+]1Cc1nncs1 929754847 631100710 /nfs/dbraw/zinc/10/07/10/631100710.db2.gz HIOXVMXNFFACFS-ZETCQYMHSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@H]1CCC[N@H+]1Cc1nncs1 929754847 631100713 /nfs/dbraw/zinc/10/07/13/631100713.db2.gz HIOXVMXNFFACFS-ZETCQYMHSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@@H]1CCC[N@@H+]1Cc1nncs1 929754846 631102078 /nfs/dbraw/zinc/10/20/78/631102078.db2.gz HIOXVMXNFFACFS-SSDOTTSWSA-N 1 2 183.280 1.522 20 0 ADADLO C[C@@H]1CCC[N@H+]1Cc1nncs1 929754846 631102081 /nfs/dbraw/zinc/10/20/81/631102081.db2.gz HIOXVMXNFFACFS-SSDOTTSWSA-N 1 2 183.280 1.522 20 0 ADADLO CC1CC(C[N@H+](C)Cc2nnc[nH]2)C1 929812037 631103232 /nfs/dbraw/zinc/10/32/32/631103232.db2.gz QQKZZFGEKLJPJM-UHFFFAOYSA-N 1 2 194.282 1.283 20 0 ADADLO CC1CC(C[N@@H+](C)Cc2nnc[nH]2)C1 929812037 631103235 /nfs/dbraw/zinc/10/32/35/631103235.db2.gz QQKZZFGEKLJPJM-UHFFFAOYSA-N 1 2 194.282 1.283 20 0 ADADLO CC[C@@H]1C[C@H]1C[N@H+](C)Cc1nnc[nH]1 929812412 631103799 /nfs/dbraw/zinc/10/37/99/631103799.db2.gz TWOATJMBOZYKSH-BDAKNGLRSA-N 1 2 194.282 1.283 20 0 ADADLO CC[C@@H]1C[C@H]1C[N@@H+](C)Cc1nnc[nH]1 929812412 631103801 /nfs/dbraw/zinc/10/38/01/631103801.db2.gz TWOATJMBOZYKSH-BDAKNGLRSA-N 1 2 194.282 1.283 20 0 ADADLO CC1CC(Cn2cc[nH+]c2)C1 929866293 631104280 /nfs/dbraw/zinc/10/42/80/631104280.db2.gz VOXWKFHNDQJZBU-UHFFFAOYSA-N 1 2 150.225 1.929 20 0 ADADLO C[N@H+](CCC1CC1)Cc1nncs1 930064357 631106005 /nfs/dbraw/zinc/10/60/05/631106005.db2.gz NQKFTNLXQAFJGT-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO C[N@@H+](CCC1CC1)Cc1nncs1 930064357 631106006 /nfs/dbraw/zinc/10/60/06/631106006.db2.gz NQKFTNLXQAFJGT-UHFFFAOYSA-N 1 2 197.307 1.770 20 0 ADADLO CC[C@@H](CO)[N@@H+]1CCCC(F)(F)C1 930846960 631115470 /nfs/dbraw/zinc/11/54/70/631115470.db2.gz CDHRRGZJRMQKEU-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO CC[C@@H](CO)[N@H+]1CCCC(F)(F)C1 930846960 631115472 /nfs/dbraw/zinc/11/54/72/631115472.db2.gz CDHRRGZJRMQKEU-QMMMGPOBSA-N 1 2 193.237 1.488 20 0 ADADLO C[N@H+](Cc1nncs1)C(C)(C)C 930825042 631116278 /nfs/dbraw/zinc/11/62/78/631116278.db2.gz KZTIVOMJASPRES-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO C[N@@H+](Cc1nncs1)C(C)(C)C 930825042 631116279 /nfs/dbraw/zinc/11/62/79/631116279.db2.gz KZTIVOMJASPRES-UHFFFAOYSA-N 1 2 185.296 1.768 20 0 ADADLO CC[C@H](CO)[N@@H+]1CCCC(F)(F)C1 930846959 631116632 /nfs/dbraw/zinc/11/66/32/631116632.db2.gz CDHRRGZJRMQKEU-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO CC[C@H](CO)[N@H+]1CCCC(F)(F)C1 930846959 631116635 /nfs/dbraw/zinc/11/66/35/631116635.db2.gz CDHRRGZJRMQKEU-MRVPVSSYSA-N 1 2 193.237 1.488 20 0 ADADLO CCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 931134653 631120700 /nfs/dbraw/zinc/12/07/00/631120700.db2.gz FNVCVUCRRYCKTM-VIFPVBQESA-N 1 2 194.282 1.742 20 0 ADADLO C[N@H+](CCOC1CC1)Cc1cnc[nH]1 930917637 631118101 /nfs/dbraw/zinc/11/81/01/631118101.db2.gz XSLPBTYCHRBOQP-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](CCOC1CC1)Cc1cnc[nH]1 930917637 631118102 /nfs/dbraw/zinc/11/81/02/631118102.db2.gz XSLPBTYCHRBOQP-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@H+](CCOC1CC1)Cc1c[nH]cn1 930917637 631118104 /nfs/dbraw/zinc/11/81/04/631118104.db2.gz XSLPBTYCHRBOQP-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO C[N@@H+](CCOC1CC1)Cc1c[nH]cn1 930917637 631118106 /nfs/dbraw/zinc/11/81/06/631118106.db2.gz XSLPBTYCHRBOQP-UHFFFAOYSA-N 1 2 195.266 1.021 20 0 ADADLO c1nnc(C[N@@H+]2CC[C@H]3C[C@H]3C2)s1 931058146 631119665 /nfs/dbraw/zinc/11/96/65/631119665.db2.gz JARRBUZSOINTLG-YUMQZZPRSA-N 1 2 195.291 1.380 20 0 ADADLO c1nnc(C[N@H+]2CC[C@H]3C[C@H]3C2)s1 931058146 631119670 /nfs/dbraw/zinc/11/96/70/631119670.db2.gz JARRBUZSOINTLG-YUMQZZPRSA-N 1 2 195.291 1.380 20 0 ADADLO FCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 931135157 631120347 /nfs/dbraw/zinc/12/03/47/631120347.db2.gz UCASYUGTCBBESH-QMMMGPOBSA-N 1 2 198.245 1.301 20 0 ADADLO FCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 931135157 631120351 /nfs/dbraw/zinc/12/03/51/631120351.db2.gz UCASYUGTCBBESH-QMMMGPOBSA-N 1 2 198.245 1.301 20 0 ADADLO c1nnc([C@@H]2CCC[N@H+]2CC2CC2)[nH]1 931133750 631120534 /nfs/dbraw/zinc/12/05/34/631120534.db2.gz FULQNKWPRQUJHI-VIFPVBQESA-N 1 2 192.266 1.352 20 0 ADADLO c1nnc([C@@H]2CCC[N@@H+]2CC2CC2)[nH]1 931133750 631120539 /nfs/dbraw/zinc/12/05/39/631120539.db2.gz FULQNKWPRQUJHI-VIFPVBQESA-N 1 2 192.266 1.352 20 0 ADADLO CCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 931134653 631120696 /nfs/dbraw/zinc/12/06/96/631120696.db2.gz FNVCVUCRRYCKTM-VIFPVBQESA-N 1 2 194.282 1.742 20 0 ADADLO CC(C)C[N@@H+]1CCC[C@H]1c1nc[nH]n1 931138395 631120748 /nfs/dbraw/zinc/12/07/48/631120748.db2.gz ZDDNJHLJUXAQGT-VIFPVBQESA-N 1 2 194.282 1.598 20 0 ADADLO CC(C)C[N@H+]1CCC[C@H]1c1nc[nH]n1 931138395 631120749 /nfs/dbraw/zinc/12/07/49/631120749.db2.gz ZDDNJHLJUXAQGT-VIFPVBQESA-N 1 2 194.282 1.598 20 0 ADADLO c1nnc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)s1 931058143 631121187 /nfs/dbraw/zinc/12/11/87/631121187.db2.gz JARRBUZSOINTLG-HTQZYQBOSA-N 1 2 195.291 1.380 20 0 ADADLO c1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)s1 931058143 631121184 /nfs/dbraw/zinc/12/11/84/631121184.db2.gz JARRBUZSOINTLG-HTQZYQBOSA-N 1 2 195.291 1.380 20 0 ADADLO CCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 931134488 631121191 /nfs/dbraw/zinc/12/11/91/631121191.db2.gz BZSOBJKEALEPLQ-QMMMGPOBSA-N 1 2 180.255 1.352 20 0 ADADLO CCC[N@H+]1CCC[C@H]1c1nnc[nH]1 931134488 631121193 /nfs/dbraw/zinc/12/11/93/631121193.db2.gz BZSOBJKEALEPLQ-QMMMGPOBSA-N 1 2 180.255 1.352 20 0 ADADLO C[N@H+](CCF)Cc1cccc(=O)[nH]1 933399105 631140823 /nfs/dbraw/zinc/14/08/23/631140823.db2.gz QPRUOYZMPORPPM-UHFFFAOYSA-N 1 2 184.214 1.189 20 0 ADADLO C[N@@H+](CCF)Cc1cccc(=O)[nH]1 933399105 631140827 /nfs/dbraw/zinc/14/08/27/631140827.db2.gz QPRUOYZMPORPPM-UHFFFAOYSA-N 1 2 184.214 1.189 20 0 ADADLO CSCC(C)(C)[NH2+]Cc1ccn[nH]1 934671533 631148642 /nfs/dbraw/zinc/14/86/42/631148642.db2.gz YSIHRBWRRDTYRU-UHFFFAOYSA-N 1 2 199.323 1.641 20 0 ADADLO CC[NH2+]Cc1noc(COC(C)C)n1 159111416 631154717 /nfs/dbraw/zinc/15/47/17/631154717.db2.gz MKSKXZLCBZDDNL-UHFFFAOYSA-N 1 2 199.254 1.104 20 0 ADADLO C[C@H](CO)[N@H+](C)C/C(Cl)=C/Cl 159150499 631154804 /nfs/dbraw/zinc/15/48/04/631154804.db2.gz ATBWCOBZUJXITM-NPQKIFFKSA-N 1 2 198.093 1.618 20 0 ADADLO C[C@H](CO)[N@@H+](C)C/C(Cl)=C/Cl 159150499 631154806 /nfs/dbraw/zinc/15/48/06/631154806.db2.gz ATBWCOBZUJXITM-NPQKIFFKSA-N 1 2 198.093 1.618 20 0 ADADLO COC(=O)NCCCCn1cc[nH+]c1 82254752 631157429 /nfs/dbraw/zinc/15/74/29/631157429.db2.gz VXMLQTASYRUMAW-UHFFFAOYSA-N 1 2 197.238 1.019 20 0 ADADLO CC1(C)OC[C@@H](Cn2cc[nH+]c2)O1 90373520 631160004 /nfs/dbraw/zinc/16/00/04/631160004.db2.gz CCDVNDSSFXXPFA-MRVPVSSYSA-N 1 2 182.223 1.035 20 0 ADADLO FC1(F)CC([NH2+]Cc2c[nH]cn2)C1 306208149 631169088 /nfs/dbraw/zinc/16/90/88/631169088.db2.gz BBLBZJRJCYIKCR-UHFFFAOYSA-N 1 2 187.193 1.297 20 0 ADADLO C[C@@H]1C[N@H+](C/C=C/Cl)CCO1 306195554 631168392 /nfs/dbraw/zinc/16/83/92/631168392.db2.gz VFIMXJCGWYUWNB-UFUPEUMYSA-N 1 2 175.659 1.460 20 0 ADADLO C[C@@H]1C[N@@H+](C/C=C/Cl)CCO1 306195554 631168393 /nfs/dbraw/zinc/16/83/93/631168393.db2.gz VFIMXJCGWYUWNB-UFUPEUMYSA-N 1 2 175.659 1.460 20 0 ADADLO C[C@H]1C[N@H+](C/C=C/Cl)CCO1 306195553 631168574 /nfs/dbraw/zinc/16/85/74/631168574.db2.gz VFIMXJCGWYUWNB-SGJFDWMWSA-N 1 2 175.659 1.460 20 0 ADADLO C[C@H]1C[N@@H+](C/C=C/Cl)CCO1 306195553 631168576 /nfs/dbraw/zinc/16/85/76/631168576.db2.gz VFIMXJCGWYUWNB-SGJFDWMWSA-N 1 2 175.659 1.460 20 0 ADADLO CC[C@@H]1COCC[N@@H+]1C/C=C/Cl 306268042 631169865 /nfs/dbraw/zinc/16/98/65/631169865.db2.gz IMOAKLUYDJECHG-CDAZIORVSA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@@H]1COCC[N@H+]1C/C=C/Cl 306268042 631169867 /nfs/dbraw/zinc/16/98/67/631169867.db2.gz IMOAKLUYDJECHG-CDAZIORVSA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@H]1COCC[N@@H+]1C/C=C/Cl 306268044 631170398 /nfs/dbraw/zinc/17/03/98/631170398.db2.gz IMOAKLUYDJECHG-NWALNABHSA-N 1 2 189.686 1.850 20 0 ADADLO CC[C@H]1COCC[N@H+]1C/C=C/Cl 306268044 631170400 /nfs/dbraw/zinc/17/04/00/631170400.db2.gz IMOAKLUYDJECHG-NWALNABHSA-N 1 2 189.686 1.850 20 0 ADADLO C[C@H]1OCCN(c2cccc[nH+]2)[C@@H]1C 335691986 525030064 /nfs/dbraw/zinc/03/00/64/525030064.db2.gz LXBQMVUBKCKBCJ-NXEZZACHSA-N 1 2 192.262 1.695 20 0 ADADLO C[C@H]1[C@@H](C)OCCN1c1cccc[nH+]1 335691988 525031041 /nfs/dbraw/zinc/03/10/41/525031041.db2.gz LXBQMVUBKCKBCJ-VHSXEESVSA-N 1 2 192.262 1.695 20 0 ADADLO CC1=CCCN(c2cc(C)[nH+]cn2)C1 336503712 525058947 /nfs/dbraw/zinc/05/89/47/525058947.db2.gz WBBVZGCCKKUCJC-UHFFFAOYSA-N 1 2 189.262 1.941 20 0 ADADLO C[C@@H]1CN(c2cccc[nH+]2)CC[C@H]1O 253176357 525069477 /nfs/dbraw/zinc/06/94/77/525069477.db2.gz GBMYQWQWIQTDEQ-NXEZZACHSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@@H]1CN(c2cccc[nH+]2)CCO1 307071992 525070039 /nfs/dbraw/zinc/07/00/39/525070039.db2.gz XZHOITKUEZYQQA-SECBINFHSA-N 1 2 178.235 1.307 20 0 ADADLO C[C@@H]1CN(c2cccc[nH+]2)CC[C@@H]1O 127128517 525070980 /nfs/dbraw/zinc/07/09/80/525070980.db2.gz GBMYQWQWIQTDEQ-ZJUUUORDSA-N 1 2 192.262 1.289 20 0 ADADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)CS1 86935512 525267298 /nfs/dbraw/zinc/26/72/98/525267298.db2.gz VTEBLORNIKXRRO-VXNVDRBHSA-N 1 2 197.307 1.393 20 0 ADADLO C[C@]1(O)CCCN(c2cccc[nH+]2)C1 122324402 525308419 /nfs/dbraw/zinc/30/84/19/525308419.db2.gz UHCWNZXKKDBSKM-NSHDSACASA-N 1 2 192.262 1.433 20 0 ADADLO C[C@@H]1C[C@H](O)CN(c2cccc[nH+]2)C1 307233226 525452660 /nfs/dbraw/zinc/45/26/60/525452660.db2.gz CKNMAWOKNKEGGB-ZJUUUORDSA-N 1 2 192.262 1.289 20 0 ADADLO c1nc(C[NH2+]Cc2ccsc2)c[nH]1 62103640 1224171584 /nfs/dbraw/zinc/17/15/84/1224171584.db2.gz NUOHCWOYYYGTSP-UHFFFAOYSA-N 1 2 193.275 1.761 20 0 ADADLO CCCN(c1cc(N)nc[nH+]1)C1CC1 87809139 1224181409 /nfs/dbraw/zinc/18/14/09/1224181409.db2.gz HETOLCIHQAXNBQ-UHFFFAOYSA-N 1 2 192.266 1.438 20 0 ADADLO CC[C@H](C)CN(C)c1cc(N)nc[nH+]1 87809548 1224181565 /nfs/dbraw/zinc/18/15/65/1224181565.db2.gz KTPNZDISUIPUME-QMMMGPOBSA-N 1 2 194.282 1.541 20 0 ADADLO CC[C@@H](C)CN(C)c1cc(N)nc[nH+]1 87809547 1224181873 /nfs/dbraw/zinc/18/18/73/1224181873.db2.gz KTPNZDISUIPUME-MRVPVSSYSA-N 1 2 194.282 1.541 20 0 ADADLO CCCN(CC)c1cc(N)nc[nH+]1 87809048 1224181915 /nfs/dbraw/zinc/18/19/15/1224181915.db2.gz WYCBNJVHLFANNA-UHFFFAOYSA-N 1 2 180.255 1.295 20 0 ADADLO CC1=CCN(c2cc(N)nc[nH+]2)CC1 165115988 1224196284 /nfs/dbraw/zinc/19/62/84/1224196284.db2.gz DLILKSFSZFTXNR-UHFFFAOYSA-N 1 2 190.250 1.215 20 0 ADADLO C[C@@H]1OCCN(c2cccc[nH+]2)[C@H]1C 335691987 525568921 /nfs/dbraw/zinc/56/89/21/525568921.db2.gz LXBQMVUBKCKBCJ-UWVGGRQHSA-N 1 2 192.262 1.695 20 0 ADADLO Cc1noc([C@@H](C)n2cc[nH+]c2)n1 306266322 1224248919 /nfs/dbraw/zinc/24/89/19/1224248919.db2.gz GXAUESHDKNUNHF-ZCFIWIBFSA-N 1 2 178.195 1.184 20 0 ADADLO Cc1noc([C@H](C)n2cc[nH+]c2)n1 306266319 1224249178 /nfs/dbraw/zinc/24/91/78/1224249178.db2.gz GXAUESHDKNUNHF-LURJTMIESA-N 1 2 178.195 1.184 20 0 ADADLO OC[C@@]1(F)CC[N@H+](C/C=C/Cl)C1 306280284 1224250684 /nfs/dbraw/zinc/25/06/84/1224250684.db2.gz ICLGWSMYSPNGRP-YUQHSTNDSA-N 1 2 193.649 1.145 20 0 ADADLO OC[C@@]1(F)CC[N@@H+](C/C=C/Cl)C1 306280284 1224250693 /nfs/dbraw/zinc/25/06/93/1224250693.db2.gz ICLGWSMYSPNGRP-YUQHSTNDSA-N 1 2 193.649 1.145 20 0 ADADLO CCc1noc([C@H](C)n2cc[nH+]c2)n1 349790741 1224304182 /nfs/dbraw/zinc/30/41/82/1224304182.db2.gz PBBNQIKGVQJPDZ-ZETCQYMHSA-N 1 2 192.222 1.438 20 0 ADADLO CCc1noc([C@@H](C)n2cc[nH+]c2)n1 349790740 1224304316 /nfs/dbraw/zinc/30/43/16/1224304316.db2.gz PBBNQIKGVQJPDZ-SSDOTTSWSA-N 1 2 192.222 1.438 20 0 ADADLO Cc1nc([C@H](C)[NH2+]CCCF)no1 379391989 1224311239 /nfs/dbraw/zinc/31/12/39/1224311239.db2.gz QXWSMKSHGKXPPN-LURJTMIESA-N 1 2 187.218 1.388 20 0 ADADLO Cc1nc([C@@H](C)[NH2+]CCCF)no1 379391990 1224311328 /nfs/dbraw/zinc/31/13/28/1224311328.db2.gz QXWSMKSHGKXPPN-ZCFIWIBFSA-N 1 2 187.218 1.388 20 0 ADADLO Cc1[nH]ncc1C[NH2+]C/C=C/C1CC1 382235537 1224322961 /nfs/dbraw/zinc/32/29/61/1224322961.db2.gz QJKKSHDDVTWSMW-NSCUHMNNSA-N 1 2 191.278 1.774 20 0 ADADLO Cc1[nH]ncc1C[NH2+]C/C=C\C1CC1 382235523 1224323222 /nfs/dbraw/zinc/32/32/22/1224323222.db2.gz QJKKSHDDVTWSMW-IHWYPQMZSA-N 1 2 191.278 1.774 20 0 ADADLO C[NH+](C)Cc1nnc(CC2CC2)o1 393715528 1224334704 /nfs/dbraw/zinc/33/47/04/1224334704.db2.gz OWCTWVAVGVUJSS-UHFFFAOYSA-N 1 2 181.239 1.084 20 0 ADADLO C[C@@H]1OCCN(c2cccc[nH+]2)[C@@H]1C 335691989 525690527 /nfs/dbraw/zinc/69/05/27/525690527.db2.gz LXBQMVUBKCKBCJ-ZJUUUORDSA-N 1 2 192.262 1.695 20 0 ADADLO CC[C@H](C)Nc1cc(N(C)C)nc[nH+]1 585415459 1224344749 /nfs/dbraw/zinc/34/47/49/1224344749.db2.gz SYFPNSKCRAJGTC-QMMMGPOBSA-N 1 2 194.282 1.753 20 0 ADADLO CC[C@H](C)Nc1cc(N(C)C)[nH+]cn1 585415459 1224344757 /nfs/dbraw/zinc/34/47/57/1224344757.db2.gz SYFPNSKCRAJGTC-QMMMGPOBSA-N 1 2 194.282 1.753 20 0 ADADLO CCCCNc1cc(N(C)C)nc[nH+]1 585415541 1224345066 /nfs/dbraw/zinc/34/50/66/1224345066.db2.gz WGODVCULLRDSMV-UHFFFAOYSA-N 1 2 194.282 1.755 20 0 ADADLO CCCCNc1cc(N(C)C)[nH+]cn1 585415541 1224345073 /nfs/dbraw/zinc/34/50/73/1224345073.db2.gz WGODVCULLRDSMV-UHFFFAOYSA-N 1 2 194.282 1.755 20 0 ADADLO CC[C@@H](C)Nc1cc(N(C)C)nc[nH+]1 585415458 1224345193 /nfs/dbraw/zinc/34/51/93/1224345193.db2.gz SYFPNSKCRAJGTC-MRVPVSSYSA-N 1 2 194.282 1.753 20 0 ADADLO CC[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 585415458 1224345198 /nfs/dbraw/zinc/34/51/98/1224345198.db2.gz SYFPNSKCRAJGTC-MRVPVSSYSA-N 1 2 194.282 1.753 20 0 ADADLO C[C@H]1CCN1C(=O)[C@H](C)n1cc[nH+]c1 1330803038 1224448052 /nfs/dbraw/zinc/44/80/52/1224448052.db2.gz XCFDAKLVRCBATC-IUCAKERBSA-N 1 2 193.250 1.065 20 0 ADADLO C[C@@H](C(=O)N1CC[C@H]1C)n1cc[nH+]c1 1330803037 1224448823 /nfs/dbraw/zinc/44/88/23/1224448823.db2.gz XCFDAKLVRCBATC-BDAKNGLRSA-N 1 2 193.250 1.065 20 0 ADADLO C[C@H](c1ncccn1)[N@H+]1CC=CCC1 1351184460 1224470732 /nfs/dbraw/zinc/47/07/32/1224470732.db2.gz WLYOIZDCHQDXCU-SNVBAGLBSA-N 1 2 189.262 1.800 20 0 ADADLO C[C@H](c1ncccn1)[N@@H+]1CC=CCC1 1351184460 1224470739 /nfs/dbraw/zinc/47/07/39/1224470739.db2.gz WLYOIZDCHQDXCU-SNVBAGLBSA-N 1 2 189.262 1.800 20 0 ADADLO C[C@@H](c1ncccn1)[N@H+]1CC=CCC1 1351184459 1224470929 /nfs/dbraw/zinc/47/09/29/1224470929.db2.gz WLYOIZDCHQDXCU-JTQLQIEISA-N 1 2 189.262 1.800 20 0 ADADLO C[C@@H](c1ncccn1)[N@@H+]1CC=CCC1 1351184459 1224470931 /nfs/dbraw/zinc/47/09/31/1224470931.db2.gz WLYOIZDCHQDXCU-JTQLQIEISA-N 1 2 189.262 1.800 20 0 ADADLO CCCC[N@H+](C)Cc1cnn[nH]1 388396798 538431679 /nfs/dbraw/zinc/43/16/79/538431679.db2.gz JEIDZMFALNJBAE-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CCCC[N@@H+](C)Cc1cnn[nH]1 388396798 538431680 /nfs/dbraw/zinc/43/16/80/538431680.db2.gz JEIDZMFALNJBAE-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CCCC[N@H+](C)Cc1c[nH]nn1 388396798 538431681 /nfs/dbraw/zinc/43/16/81/538431681.db2.gz JEIDZMFALNJBAE-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CCCC[N@@H+](C)Cc1c[nH]nn1 388396798 538431682 /nfs/dbraw/zinc/43/16/82/538431682.db2.gz JEIDZMFALNJBAE-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CCCC[N@H+](C)Cc1cn[nH]n1 388396798 538431683 /nfs/dbraw/zinc/43/16/83/538431683.db2.gz JEIDZMFALNJBAE-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CCCC[N@@H+](C)Cc1cn[nH]n1 388396798 538431684 /nfs/dbraw/zinc/43/16/84/538431684.db2.gz JEIDZMFALNJBAE-UHFFFAOYSA-N 1 2 168.244 1.037 20 0 ADADLO CC[NH+](CC)Cc1nnc(C)s1 388485202 538432954 /nfs/dbraw/zinc/43/29/54/538432954.db2.gz ZCILGNBVUJSQDQ-UHFFFAOYSA-N 1 2 185.296 1.688 20 0 ADADLO CCOCCOc1cc[nH+]cc1 388517237 538433428 /nfs/dbraw/zinc/43/34/28/538433428.db2.gz UWCMWTTYECABKR-UHFFFAOYSA-N 1 2 167.208 1.497 20 0 ADADLO CCc1cn(CCSC)c[nH+]1 1614961590 1224501688 /nfs/dbraw/zinc/50/16/88/1224501688.db2.gz SXCCAHRMALERBT-UHFFFAOYSA-N 1 2 170.281 1.809 20 0 ADADLO CCc1nnc(C[NH+](CC)CC)s1 388596678 538433963 /nfs/dbraw/zinc/43/39/63/538433963.db2.gz OJMIDLLPNVHMLU-UHFFFAOYSA-N 1 2 199.323 1.942 20 0 ADADLO CC[C@H]1C[NH+](CCF)C[C@H](CC)O1 675055085 538448761 /nfs/dbraw/zinc/44/87/61/538448761.db2.gz MWQSVGGAEXNKNK-UWVGGRQHSA-N 1 2 189.274 1.845 20 0 ADADLO C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 122324615 525883142 /nfs/dbraw/zinc/88/31/42/525883142.db2.gz UHCWNZXKKDBSKM-LLVKDONJSA-N 1 2 192.262 1.433 20 0 ADADLO C[C@H]1CCCCN1c1cc(N)nc[nH+]1 72192623 526252696 /nfs/dbraw/zinc/25/26/96/526252696.db2.gz FKXYZVVXPRCVIR-QMMMGPOBSA-N 1 2 192.266 1.438 20 0 ADADLO Cc1nc(N2CCC=C(F)C2)cc[nH+]1 335868797 527343460 /nfs/dbraw/zinc/34/34/60/527343460.db2.gz DAPUXKGMAFBMGJ-UHFFFAOYSA-N 1 2 193.225 1.849 20 0 ADADLO Cc1[nH+]cccc1N[C@H]1CCOC1 85711610 527367253 /nfs/dbraw/zinc/36/72/53/527367253.db2.gz LBPDLGJIZVHJQB-VIFPVBQESA-N 1 2 178.235 1.591 20 0 ADADLO