smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[N@@H+](C)CCC#N 59089305 697623468 /nfs/dbraw/zinc/62/34/68/697623468.db2.gz VCKWZTSMLGKLBE-UHFFFAOYSA-N 1 1 182.311 2.802 20 30 AFEDMO C#CCCC[N@H+](C)Cc1ccsc1 161088700 697663415 /nfs/dbraw/zinc/66/34/15/697663415.db2.gz SNGIOHWHWMZADJ-UHFFFAOYSA-N 1 1 193.315 2.593 20 30 AFEDMO C#CCCC[N@H+](C)Cc1cccs1 161083683 697663510 /nfs/dbraw/zinc/66/35/10/697663510.db2.gz PNUHSSXGGBIPFD-UHFFFAOYSA-N 1 1 193.315 2.593 20 30 AFEDMO C#CCCC[N@@H+]1CCCC[C@H]1CC 161084374 697663535 /nfs/dbraw/zinc/66/35/35/697663535.db2.gz IIOJYHADOHLJGR-GFCCVEGCSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CCCC[N@H+](CCC)CC1CC1 161078517 697663633 /nfs/dbraw/zinc/66/36/33/697663633.db2.gz XJOHSGTWPIEXQU-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CCCC[N@H+](C)Cc1ccccc1 161084252 697663683 /nfs/dbraw/zinc/66/36/83/697663683.db2.gz WULRAUCZOWPWQM-UHFFFAOYSA-N 1 1 187.286 2.532 20 30 AFEDMO C#CCCC[N@@H+]1CCCC[C@@H]1CC 161084499 697663834 /nfs/dbraw/zinc/66/38/34/697663834.db2.gz IIOJYHADOHLJGR-LBPRGKRZSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CCCC[N@H+](CC)CCCC 161078363 697663861 /nfs/dbraw/zinc/66/38/61/697663861.db2.gz OLZJIVXDUIDNPY-UHFFFAOYSA-N 1 1 167.296 2.522 20 30 AFEDMO C#CCCC[N@H+](CC(C)C)C1CC1 161092701 697663932 /nfs/dbraw/zinc/66/39/32/697663932.db2.gz MJZDXWMPEUCLGH-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@H+](CCCC)C1CC1 161094441 697663958 /nfs/dbraw/zinc/66/39/58/697663958.db2.gz RMBWGNTYFHHVJS-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@@H]1C(C)C 161107919 697664440 /nfs/dbraw/zinc/66/44/40/697664440.db2.gz VXLQSLWJTHTYPH-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@H+](C)[C@H]1CCC[C@H](C)C1 161096755 697664549 /nfs/dbraw/zinc/66/45/49/697664549.db2.gz SKDXEOBBHZDRTM-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 161096646 697664559 /nfs/dbraw/zinc/66/45/59/697664559.db2.gz SKDXEOBBHZDRTM-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](CCC(C)C)C1CC1 161096061 697664678 /nfs/dbraw/zinc/66/46/78/697664678.db2.gz UKTIZOSEIQGIQL-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 161096888 697664710 /nfs/dbraw/zinc/66/47/10/697664710.db2.gz SKDXEOBBHZDRTM-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@H]1C(C)C 161107797 697664825 /nfs/dbraw/zinc/66/48/25/697664825.db2.gz VXLQSLWJTHTYPH-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 161111991 697664823 /nfs/dbraw/zinc/66/48/23/697664823.db2.gz PSYFTZZXTLBZAI-STQMWFEESA-N 1 1 191.318 2.664 20 30 AFEDMO C#CCCC[N@H+](CC(C)C)C(C)C 161096369 697664817 /nfs/dbraw/zinc/66/48/17/697664817.db2.gz UZADGEZESKYHKS-UHFFFAOYSA-N 1 1 181.323 2.766 20 30 AFEDMO C#CCCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 161097007 697664928 /nfs/dbraw/zinc/66/49/28/697664928.db2.gz SKDXEOBBHZDRTM-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](CC)C1CCCC1 161097276 697664993 /nfs/dbraw/zinc/66/49/93/697664993.db2.gz RENQZUDIVBIUTR-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@H]1C 161130930 697665399 /nfs/dbraw/zinc/66/53/99/697665399.db2.gz IUUUOIVYIJVTCX-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@H]1C 161131492 697665414 /nfs/dbraw/zinc/66/54/14/697665414.db2.gz KNFBYXQQSCKGOZ-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@H+](CC)C[C@@H](C)CC 161137121 697665438 /nfs/dbraw/zinc/66/54/38/697665438.db2.gz YMOUFPWDIOXFHN-LBPRGKRZSA-N 1 1 181.323 2.768 20 30 AFEDMO C#CCCC[N@H+]1[C@@H](C)CCC[C@H]1C 161123381 697665751 /nfs/dbraw/zinc/66/57/51/697665751.db2.gz RUEQDGXUAAZOOC-TXEJJXNPSA-N 1 1 179.307 2.663 20 30 AFEDMO C#CCCC[N@H+](CC)C[C@H](C)CC 161137035 697665806 /nfs/dbraw/zinc/66/58/06/697665806.db2.gz YMOUFPWDIOXFHN-GFCCVEGCSA-N 1 1 181.323 2.768 20 30 AFEDMO C#CCCC[N@@H+]1CCC(CC)(CC)C1 161138063 697665984 /nfs/dbraw/zinc/66/59/84/697665984.db2.gz ISFMHRDVLXVOSN-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@@H](C)[C@H]1C 161131366 697666023 /nfs/dbraw/zinc/66/60/23/697666023.db2.gz KNFBYXQQSCKGOZ-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+](CC1CC1)C(C)C 161141768 697666075 /nfs/dbraw/zinc/66/60/75/697666075.db2.gz JVRDCHROVLTKNE-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@H+](C)C(C)(C)CC 161144047 697666698 /nfs/dbraw/zinc/66/66/98/697666698.db2.gz NLVINFUDKCWFFM-UHFFFAOYSA-N 1 1 167.296 2.520 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@H]1CCC 161165538 697666786 /nfs/dbraw/zinc/66/67/86/697666786.db2.gz LRPPGZAVFIMZLJ-GFCCVEGCSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CCC 161165665 697666802 /nfs/dbraw/zinc/66/68/02/697666802.db2.gz LRPPGZAVFIMZLJ-LBPRGKRZSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CCCCNc1cc[nH+]cc1Cl 226804154 697694226 /nfs/dbraw/zinc/69/42/26/697694226.db2.gz OCBLMUKKQOCASD-UHFFFAOYSA-N 1 1 194.665 2.560 20 30 AFEDMO C#CCCC[N@H+](CC)CC1CCC1 230329074 697703069 /nfs/dbraw/zinc/70/30/69/697703069.db2.gz NNKYYIFEJLFJAN-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1C 231637522 697704213 /nfs/dbraw/zinc/70/42/13/697704213.db2.gz KNFBYXQQSCKGOZ-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@@H]1C 231637526 697704485 /nfs/dbraw/zinc/70/44/85/697704485.db2.gz KNFBYXQQSCKGOZ-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCC[N@@H+]1C[C@H](C)CC1(C)C 306161639 697722605 /nfs/dbraw/zinc/72/26/05/697722605.db2.gz NGTMQBBTOGTMBP-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO C#CCCC[N@@H+]1C[C@H](C)CC1(C)C 306925235 697735465 /nfs/dbraw/zinc/73/54/65/697735465.db2.gz LSRXNXVKZUBPCQ-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@H+]1CCC[C@H](C2CC2)C1 307319772 697742220 /nfs/dbraw/zinc/74/22/20/697742220.db2.gz TVWYDXBMMFUIPM-NSHDSACASA-N 1 1 199.725 2.861 20 30 AFEDMO C=C(Cl)C[N@H+](C(C)C)C1CC1 307625174 697747979 /nfs/dbraw/zinc/74/79/79/697747979.db2.gz GJVWNQYCYJGCDQ-UHFFFAOYSA-N 1 1 173.687 2.612 20 30 AFEDMO C=CC[N@@H+](C/C=C/Cl)C(C)C 307903858 697753053 /nfs/dbraw/zinc/75/30/53/697753053.db2.gz PXUUODQMTOTRKL-AATRIKPKSA-N 1 1 173.687 2.635 20 30 AFEDMO C#CC(C)(C)[N@H+](C)CCCCCC 308423283 697770968 /nfs/dbraw/zinc/77/09/68/697770968.db2.gz POMJRMHXYVPMGQ-UHFFFAOYSA-N 1 1 181.323 2.910 20 30 AFEDMO C#CC[N@H+](CC)C[C@@H](C)C(C)(C)C 308427387 697771630 /nfs/dbraw/zinc/77/16/30/697771630.db2.gz RSZOYVWRJOOFKB-LLVKDONJSA-N 1 1 181.323 2.624 20 30 AFEDMO C#CC[N@H+](CC)C[C@@H](C)CC(C)C 308430046 697772192 /nfs/dbraw/zinc/77/21/92/697772192.db2.gz SVQYYOHMJJFUEA-LBPRGKRZSA-N 1 1 181.323 2.624 20 30 AFEDMO C#CC[N@H+](CC)C[C@H](C)CC(C)C 308430045 697772198 /nfs/dbraw/zinc/77/21/98/697772198.db2.gz SVQYYOHMJJFUEA-GFCCVEGCSA-N 1 1 181.323 2.624 20 30 AFEDMO CC#CC[N@H+](C)CCCCCCC 378790198 697787281 /nfs/dbraw/zinc/78/72/81/697787281.db2.gz MCHFDEUJORFXBU-UHFFFAOYSA-N 1 1 181.323 2.912 20 30 AFEDMO C=C(CC)C[N@H+](C)[C@H](C)CC 379169839 697798888 /nfs/dbraw/zinc/79/88/88/697798888.db2.gz KJOIVUHQCYCZGW-SNVBAGLBSA-N 1 1 155.285 2.683 20 30 AFEDMO C=C(CC)C[N@H+](CC)CCC 379174414 697799062 /nfs/dbraw/zinc/79/90/62/697799062.db2.gz MKAIOTSHUNHJHM-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=C(CC)C[N@H+](C)[C@@H](C)CC 379169837 697799165 /nfs/dbraw/zinc/79/91/65/697799165.db2.gz KJOIVUHQCYCZGW-JTQLQIEISA-N 1 1 155.285 2.683 20 30 AFEDMO C=C(C)C[N@@H+](CC)C/C=C\Cl 379307479 697803520 /nfs/dbraw/zinc/80/35/20/697803520.db2.gz WCSDTNBHQRQDAB-WAYWQWQTSA-N 1 1 173.687 2.637 20 30 AFEDMO C=C(C)C[N@@H+](CC)C/C=C/Cl 379307478 697803696 /nfs/dbraw/zinc/80/36/96/697803696.db2.gz WCSDTNBHQRQDAB-AATRIKPKSA-N 1 1 173.687 2.637 20 30 AFEDMO C=C(Cl)C[N@H+](CC(C)C)C1CC1 379318321 697811825 /nfs/dbraw/zinc/81/18/25/697811825.db2.gz KLLQOAHWKQFUST-UHFFFAOYSA-N 1 1 187.714 2.859 20 30 AFEDMO C#C[C@@H](C)[N@H+](C)CCCCCC 379328276 697822071 /nfs/dbraw/zinc/82/20/71/697822071.db2.gz OPXXCAAYCULZRL-LLVKDONJSA-N 1 1 167.296 2.520 20 30 AFEDMO C#C[C@H](C)[N@H+](C)CCCCCC 379328277 697822336 /nfs/dbraw/zinc/82/23/36/697822336.db2.gz OPXXCAAYCULZRL-NSHDSACASA-N 1 1 167.296 2.520 20 30 AFEDMO C=CC[N@H+](C[Si](C)(C)C)C1CC1 379338990 697832162 /nfs/dbraw/zinc/83/21/62/697832162.db2.gz UEECNQCRUISKRG-UHFFFAOYSA-N 1 1 183.371 2.514 20 30 AFEDMO C#CCC[N@H+](C)[C@H](C)c1ccccc1 379341058 697832939 /nfs/dbraw/zinc/83/29/39/697832939.db2.gz QCLXTFJDAIAMGU-GFCCVEGCSA-N 1 1 187.286 2.703 20 30 AFEDMO C#CCC[N@H+](C)[C@@H](C)c1ccccc1 379341059 697832962 /nfs/dbraw/zinc/83/29/62/697832962.db2.gz QCLXTFJDAIAMGU-LBPRGKRZSA-N 1 1 187.286 2.703 20 30 AFEDMO C=CC[N@@H+](C[C@H]1CCSC1)C(C)C 379389224 697864570 /nfs/dbraw/zinc/86/45/70/697864570.db2.gz LBMMEXPDNXEIDE-LLVKDONJSA-N 1 1 199.363 2.636 20 30 AFEDMO C=CC[N@@H+](C[C@@H]1CCSC1)C(C)C 379389225 697864756 /nfs/dbraw/zinc/86/47/56/697864756.db2.gz LBMMEXPDNXEIDE-NSHDSACASA-N 1 1 199.363 2.636 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@@](C)(CC)C1 379398255 697873206 /nfs/dbraw/zinc/87/32/06/697873206.db2.gz SMGJRHUAYJOQKG-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@](C)(CC)C1 379398256 697873276 /nfs/dbraw/zinc/87/32/76/697873276.db2.gz SMGJRHUAYJOQKG-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CC[N@@H+]1CCC[C@@H]1CCC(C)C 379408006 697883005 /nfs/dbraw/zinc/88/30/05/697883005.db2.gz ZZYGYAVZNYYFSZ-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+]1CCC[C@H]1CCC(C)C 379408007 697883030 /nfs/dbraw/zinc/88/30/30/697883030.db2.gz ZZYGYAVZNYYFSZ-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@H]1CC 379412754 697888100 /nfs/dbraw/zinc/88/81/00/697888100.db2.gz KVMJCMPHHXNEGI-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@@H](C)[C@H]1CC 379412756 697888112 /nfs/dbraw/zinc/88/81/12/697888112.db2.gz KVMJCMPHHXNEGI-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@@H](C)[C@@H]1CC 379412753 697888485 /nfs/dbraw/zinc/88/84/85/697888485.db2.gz KVMJCMPHHXNEGI-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@@H]1CC 379412755 697888502 /nfs/dbraw/zinc/88/85/02/697888502.db2.gz KVMJCMPHHXNEGI-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+](CC=C)C(C)(C)C 382494997 697924792 /nfs/dbraw/zinc/92/47/92/697924792.db2.gz IJKGVVSLVNZHNV-UHFFFAOYSA-N 1 1 179.307 2.686 20 30 AFEDMO CC(C)CC/[NH+]=C\c1ccccc1O 383828035 697926936 /nfs/dbraw/zinc/92/69/36/697926936.db2.gz XOVCOZPZAACWRA-LCYFTJDESA-N 1 1 191.274 2.857 20 30 AFEDMO C=CCCC[N@@H+](C)c1ccc(N)cc1 384591250 697930136 /nfs/dbraw/zinc/93/01/36/697930136.db2.gz HFRUVJTXJUPWSK-UHFFFAOYSA-N 1 1 190.290 2.671 20 30 AFEDMO C=CCCC[N@H+](C)c1ccc(N)cc1 384591250 697930140 /nfs/dbraw/zinc/93/01/40/697930140.db2.gz HFRUVJTXJUPWSK-UHFFFAOYSA-N 1 1 190.290 2.671 20 30 AFEDMO C=C(Cl)C[N@H+](CCC)C1CC1 388065775 697940226 /nfs/dbraw/zinc/94/02/26/697940226.db2.gz AOZZALWGOXRGCS-UHFFFAOYSA-N 1 1 173.687 2.613 20 30 AFEDMO C=C(CC)C[N@H+](CC)C(C)C 388097135 697941396 /nfs/dbraw/zinc/94/13/96/697941396.db2.gz QEQDFDQFUHHWHO-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO C=C(Cl)C[N@H+](CC)CCCC 388128410 697943119 /nfs/dbraw/zinc/94/31/19/697943119.db2.gz RLNNMXPHBWLUDY-UHFFFAOYSA-N 1 1 175.703 2.861 20 30 AFEDMO C#CCCC[N@H+](C)[C@@H](C)CCCC 388164383 697944398 /nfs/dbraw/zinc/94/43/98/697944398.db2.gz PDSJUFYNLSATFW-LBPRGKRZSA-N 1 1 181.323 2.910 20 30 AFEDMO C=C(Cl)C[N@@H+](CC)CC(C)C 388159847 697944415 /nfs/dbraw/zinc/94/44/15/697944415.db2.gz UEECXBMYRWTOBT-UHFFFAOYSA-N 1 1 175.703 2.717 20 30 AFEDMO C#CCCC[N@H+](C)[C@H](C)CCCC 388164368 697944493 /nfs/dbraw/zinc/94/44/93/697944493.db2.gz PDSJUFYNLSATFW-GFCCVEGCSA-N 1 1 181.323 2.910 20 30 AFEDMO C=C(Cl)C[N@@H+](CC)CCC1CC1 388401946 697961077 /nfs/dbraw/zinc/96/10/77/697961077.db2.gz OTPRHLTUZBAUMH-UHFFFAOYSA-N 1 1 187.714 2.861 20 30 AFEDMO C=CC[N@@H+](CC=C(C)C)C(C)C 388432550 697965143 /nfs/dbraw/zinc/96/51/43/697965143.db2.gz ODJOOAVCTGJVOE-UHFFFAOYSA-N 1 1 167.296 2.849 20 30 AFEDMO C#CCCC[N@@H+]1C[C@@H](C)C[C@@H]1CC 388597353 697976836 /nfs/dbraw/zinc/97/68/36/697976836.db2.gz OUOFFQASXWQLFC-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1C[C@H](C)C[C@@H]1CC 388597351 697976976 /nfs/dbraw/zinc/97/69/76/697976976.db2.gz OUOFFQASXWQLFC-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1C[C@H](C)C[C@H]1CC 388597354 697976986 /nfs/dbraw/zinc/97/69/86/697976986.db2.gz OUOFFQASXWQLFC-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1C[C@@H](C)C[C@H]1CC 388597352 697977005 /nfs/dbraw/zinc/97/70/05/697977005.db2.gz OUOFFQASXWQLFC-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CC[N@H+](C)Cc1cc(C)oc1C 388648853 697984706 /nfs/dbraw/zinc/98/47/06/697984706.db2.gz RCYHQVZHTKUVTF-UHFFFAOYSA-N 1 1 179.263 2.514 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)CCCC(C)(C)C 388669983 697986528 /nfs/dbraw/zinc/98/65/28/697986528.db2.gz XPWRPXGUUMGRKQ-NSHDSACASA-N 1 1 181.323 2.766 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)CCCC(C)(C)C 388669981 697986767 /nfs/dbraw/zinc/98/67/67/697986767.db2.gz XPWRPXGUUMGRKQ-LLVKDONJSA-N 1 1 181.323 2.766 20 30 AFEDMO C=C(Cl)C[N@H+](C)C(C1CC1)C1CC1 388825442 697998166 /nfs/dbraw/zinc/99/81/66/697998166.db2.gz VEOCZBXFEAEYEO-UHFFFAOYSA-N 1 1 199.725 2.859 20 30 AFEDMO C=C(Cl)C[N@H+](CC1CC1)C(C)C 393355668 698017584 /nfs/dbraw/zinc/01/75/84/698017584.db2.gz QYRZEUVWEAVOPH-UHFFFAOYSA-N 1 1 187.714 2.859 20 30 AFEDMO C#CC[N@H+](CC)Cc1sccc1C 393706850 698022693 /nfs/dbraw/zinc/02/26/93/698022693.db2.gz WQXUCCCPCOHXBJ-UHFFFAOYSA-N 1 1 193.315 2.512 20 30 AFEDMO C#CC[N@H+](CCCC(C)C)C1CC1 393715360 698024709 /nfs/dbraw/zinc/02/47/09/698024709.db2.gz OEFNNOKTFQJYBT-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@H+](C)C1CC(C)(C)C1 395469994 698034456 /nfs/dbraw/zinc/03/44/56/698034456.db2.gz UTUYPADDVNTNBT-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@@H+]1CCCC[C@H]1C(C)C 396114825 698036556 /nfs/dbraw/zinc/03/65/56/698036556.db2.gz WWDCVINALUEPCX-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@@H+]1CCCC[C@@H]1C(C)C 396114820 698036592 /nfs/dbraw/zinc/03/65/92/698036592.db2.gz WWDCVINALUEPCX-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@H]1CC(C)C 396814782 698038384 /nfs/dbraw/zinc/03/83/84/698038384.db2.gz RVENLASPGZJJNG-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@@H]1CC(C)C 396814781 698038597 /nfs/dbraw/zinc/03/85/97/698038597.db2.gz RVENLASPGZJJNG-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](C)CCC(C)(C)C 399960119 698044065 /nfs/dbraw/zinc/04/40/65/698044065.db2.gz YZOCDJDUPQXRGA-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO CC(C)=CCC[N@H+]1CCC[C@H](C#N)C1 704710291 698052905 /nfs/dbraw/zinc/05/29/05/698052905.db2.gz ZMDOAMOQBCBHMP-GFCCVEGCSA-N 1 1 192.306 2.578 20 30 AFEDMO CC[C@@H]1C[C@H]1C[N@@H+](CC)C[C@H](C)C#N 723124127 698073233 /nfs/dbraw/zinc/07/32/33/698073233.db2.gz NKZLNBPURBRXPR-UTUOFQBUSA-N 1 1 194.322 2.514 20 30 AFEDMO C=CC[N@H+]1Cc2ccccc2[C@@H](C)C1 726953974 698079200 /nfs/dbraw/zinc/07/92/00/698079200.db2.gz OPIWPESOLRYCOU-NSHDSACASA-N 1 1 187.286 2.792 20 30 AFEDMO C=CC[N@H+]1Cc2ccccc2[C@H](C)C1 726953973 698079495 /nfs/dbraw/zinc/07/94/95/698079495.db2.gz OPIWPESOLRYCOU-LLVKDONJSA-N 1 1 187.286 2.792 20 30 AFEDMO C#CC[N@@H+](CC)CCC1CCCCC1 749155701 698084298 /nfs/dbraw/zinc/08/42/98/698084298.db2.gz YUZWXVHOLXXTIR-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C=CC[N@H+](C[C@H](C)CC)C(C)C 755910643 698086780 /nfs/dbraw/zinc/08/67/80/698086780.db2.gz PIUKNWINAVJYGY-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=CC[N@H+](C[C@@H](C)CC)C(C)C 755910656 698086875 /nfs/dbraw/zinc/08/68/75/698086875.db2.gz PIUKNWINAVJYGY-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H](CC(C)C)C1 760845906 698088050 /nfs/dbraw/zinc/08/80/50/698088050.db2.gz DSCARFQPMXJRDA-CYBMUJFWSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@@H]1[C@H](C)CC 760844457 698088104 /nfs/dbraw/zinc/08/81/04/698088104.db2.gz QGOZVWWWARNOAR-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 760842276 698088147 /nfs/dbraw/zinc/08/81/47/698088147.db2.gz FQTHKKXXTVAWCJ-TZMCWYRMSA-N 1 1 199.297 2.703 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H](CC(C)C)C1 760845908 698088209 /nfs/dbraw/zinc/08/82/09/698088209.db2.gz DSCARFQPMXJRDA-ZDUSSCGKSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@H]1[C@@H](C)CC 760844467 698088261 /nfs/dbraw/zinc/08/82/61/698088261.db2.gz QGOZVWWWARNOAR-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CC 760844464 698088389 /nfs/dbraw/zinc/08/83/89/698088389.db2.gz QGOZVWWWARNOAR-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 760842275 698088426 /nfs/dbraw/zinc/08/84/26/698088426.db2.gz FQTHKKXXTVAWCJ-OCCSQVGLSA-N 1 1 199.297 2.703 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@H]1[C@H](C)CC 760844461 698088522 /nfs/dbraw/zinc/08/85/22/698088522.db2.gz QGOZVWWWARNOAR-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+]1C[C@@H](C)CCC[C@H]1C 766902545 698090219 /nfs/dbraw/zinc/09/02/19/698090219.db2.gz KIIZIUMSVQOMTF-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+]1C[C@H](C)CCC[C@H]1C 766902543 698090241 /nfs/dbraw/zinc/09/02/41/698090241.db2.gz KIIZIUMSVQOMTF-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+]1C[C@@H](C)CCC[C@@H]1C 766902546 698090278 /nfs/dbraw/zinc/09/02/78/698090278.db2.gz KIIZIUMSVQOMTF-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+]1C[C@H](C)CCC[C@@H]1C 766902544 698090340 /nfs/dbraw/zinc/09/03/40/698090340.db2.gz KIIZIUMSVQOMTF-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)CCCC1CCCC1 769978085 698091958 /nfs/dbraw/zinc/09/19/58/698091958.db2.gz PAYGQTWYGJMJTP-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)CCCC1CCCC1 769978084 698092548 /nfs/dbraw/zinc/09/25/48/698092548.db2.gz PAYGQTWYGJMJTP-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@H+](C[C@@H](C)CC(C)C)C1CC1 799164548 698099213 /nfs/dbraw/zinc/09/92/13/698099213.db2.gz LNEZYYZNPFWBBJ-LBPRGKRZSA-N 1 1 193.334 2.766 20 30 AFEDMO C#CC[N@H+](C[C@H](C)CC(C)C)C1CC1 799164544 698099298 /nfs/dbraw/zinc/09/92/98/698099298.db2.gz LNEZYYZNPFWBBJ-GFCCVEGCSA-N 1 1 193.334 2.766 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)Cc1csc(C)c1 824297714 698108506 /nfs/dbraw/zinc/10/85/06/698108506.db2.gz XNWPAEFOEOQLTR-VIFPVBQESA-N 1 1 193.315 2.510 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)Cc1csc(C)c1 824297713 698108650 /nfs/dbraw/zinc/10/86/50/698108650.db2.gz XNWPAEFOEOQLTR-SECBINFHSA-N 1 1 193.315 2.510 20 30 AFEDMO C#CC[N@@H+](CC)CCC1=CCCCC1 827991535 698110938 /nfs/dbraw/zinc/11/09/38/698110938.db2.gz ROJNAXZUJAUWCG-UHFFFAOYSA-N 1 1 191.318 2.832 20 30 AFEDMO C=CCCCC[N@H+]1CCC[C@@H](C#N)C1 932154983 698182866 /nfs/dbraw/zinc/18/28/66/698182866.db2.gz UOJZCVDUZWJFJG-LBPRGKRZSA-N 1 1 192.306 2.578 20 30 AFEDMO C=CCCCC[N@H+]1CCC[C@H](C#N)C1 932154982 698183120 /nfs/dbraw/zinc/18/31/20/698183120.db2.gz UOJZCVDUZWJFJG-GFCCVEGCSA-N 1 1 192.306 2.578 20 30 AFEDMO C=CCC[N@H+]1CCc2sccc2C1 306271758 133427002 /nfs/dbraw/zinc/42/70/02/133427002.db2.gz WEWLJQPFTITLRU-UHFFFAOYSA-N 1 1 193.315 2.682 20 30 AFEDMO C=CC[N@H+]1CC[C@@H]1c1ccccc1 306506521 133428772 /nfs/dbraw/zinc/42/87/72/133428772.db2.gz VTRFFNJCSZRTNV-GFCCVEGCSA-N 1 1 173.259 2.619 20 30 AFEDMO N#CCC[N@H+]1CCC2(CCCCC2)C1 306874652 133430417 /nfs/dbraw/zinc/43/04/17/133430417.db2.gz BIRWBIZWHCXGFN-UHFFFAOYSA-N 1 1 192.306 2.556 20 30 AFEDMO Cc1ccc([C@@H](C)[NH2+]CCC#N)cc1 20199519 343068913 /nfs/dbraw/zinc/06/89/13/343068913.db2.gz JVVBHXFZSRUGNY-LLVKDONJSA-N 1 1 188.274 2.559 20 30 AFEDMO CC[C@@H]1CCCC[N@H+]1CCCCC#N 33947455 343108076 /nfs/dbraw/zinc/10/80/76/343108076.db2.gz MMOUQCFMIBWYIG-GFCCVEGCSA-N 1 1 194.322 2.945 20 30 AFEDMO CC[C@H]1CCCC[N@H+]1CCCCC#N 33947456 343108106 /nfs/dbraw/zinc/10/81/06/343108106.db2.gz MMOUQCFMIBWYIG-LBPRGKRZSA-N 1 1 194.322 2.945 20 30 AFEDMO C[C@H]([N@@H+](C)CCCC#N)C(C)(C)C 42253299 343239156 /nfs/dbraw/zinc/23/91/56/343239156.db2.gz SFSUYGKZNAGJHW-JTQLQIEISA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCCC#N 42253249 343239163 /nfs/dbraw/zinc/23/91/63/343239163.db2.gz JLJWCJMGJASHOH-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO N#CCC[N@H+](C1CCCCC1)C1CC1 42250624 343239169 /nfs/dbraw/zinc/23/91/69/343239169.db2.gz RRSNHRDQSXDMEE-UHFFFAOYSA-N 1 1 192.306 2.697 20 30 AFEDMO C[C@H](C#N)C[N@@H+](C)CCC(C)(C)C 42461120 343243611 /nfs/dbraw/zinc/24/36/11/343243611.db2.gz QKRRSSIHVRKFPK-SNVBAGLBSA-N 1 1 182.311 2.514 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)CCCCC#N 49579382 343276191 /nfs/dbraw/zinc/27/61/91/343276191.db2.gz UPQOHMRMAPTCGX-NSHDSACASA-N 1 1 182.311 2.658 20 30 AFEDMO CC[C@H]1CCC[N@H+]1CCCCC#N 49579418 343276195 /nfs/dbraw/zinc/27/61/95/343276195.db2.gz UWZATPKGPMVJQL-NSHDSACASA-N 1 1 180.295 2.555 20 30 AFEDMO CCCC[N@@H+](CCCCC#N)C1CC1 49579449 343276210 /nfs/dbraw/zinc/27/62/10/343276210.db2.gz MVYVQQVVSYLBOR-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO CC[N@@H+](CCCCC#N)C1CCCC1 49579387 343276212 /nfs/dbraw/zinc/27/62/12/343276212.db2.gz SJJMKRJJYKZQGU-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO CC[C@@H]1CCC[N@H+]1CCCCC#N 49579417 343276226 /nfs/dbraw/zinc/27/62/26/343276226.db2.gz UWZATPKGPMVJQL-LLVKDONJSA-N 1 1 180.295 2.555 20 30 AFEDMO CC[C@H]1CCCC[N@H+]1CC1(C#N)CC1 49806967 343276955 /nfs/dbraw/zinc/27/69/55/343276955.db2.gz VZOVOEKVLIMXQG-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@@H]1CCC[N@@H+](CCCCC#N)[C@@H]1C 50564804 343284259 /nfs/dbraw/zinc/28/42/59/343284259.db2.gz LCHAIZISUFGHDQ-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCCC[N@H+](CC#N)C1CCCC1 70236092 343485508 /nfs/dbraw/zinc/48/55/08/343485508.db2.gz QGCAJXASHTVQES-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO CCCCC[N@@H+](CC#N)C1CCCC1 70236092 343485509 /nfs/dbraw/zinc/48/55/09/343485509.db2.gz QGCAJXASHTVQES-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO C#CC[N@H+](C)C1CCC(CC)CC1 42516746 166017464 /nfs/dbraw/zinc/01/74/64/166017464.db2.gz VKLSNSOFDGYAAU-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](C)CCCCCCC 36238101 166018658 /nfs/dbraw/zinc/01/86/58/166018658.db2.gz UGMQKDBCDDBMHW-UHFFFAOYSA-N 1 1 167.296 2.522 20 30 in-vivo AFEDMO C=C(Cl)C[NH2+]Cc1ccccc1F 37488845 166135646 /nfs/dbraw/zinc/13/56/46/166135646.db2.gz AZBMPNWBHGWFGH-UHFFFAOYSA-N 1 1 199.656 2.668 20 30 AFEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)o1 37979141 166135846 /nfs/dbraw/zinc/13/58/46/166135846.db2.gz SRXBXFYFOJSBMV-SECBINFHSA-N 1 1 199.681 2.991 20 30 AFEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)o1 37979142 166137481 /nfs/dbraw/zinc/13/74/81/166137481.db2.gz SRXBXFYFOJSBMV-VIFPVBQESA-N 1 1 199.681 2.991 20 30 AFEDMO C=C(Cl)C[NH2+]Cc1ccc(F)cc1 37488806 166137782 /nfs/dbraw/zinc/13/77/82/166137782.db2.gz CBZDRPAHSROFNY-UHFFFAOYSA-N 1 1 199.656 2.668 20 30 AFEDMO C=C(Cl)C[NH2+][C@H](C)c1ccco1 37489020 166137860 /nfs/dbraw/zinc/13/78/60/166137860.db2.gz ZKGWWNYZCYUNKS-MRVPVSSYSA-N 1 1 185.654 2.683 20 30 AFEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccco1 37489019 166137900 /nfs/dbraw/zinc/13/79/00/166137900.db2.gz ZKGWWNYZCYUNKS-QMMMGPOBSA-N 1 1 185.654 2.683 20 30 AFEDMO C=C(Cl)C[NH2+]Cc1cccc(F)c1 37681200 166137973 /nfs/dbraw/zinc/13/79/73/166137973.db2.gz LCLBMARZANLQRZ-UHFFFAOYSA-N 1 1 199.656 2.668 20 30 AFEDMO C=CCC[N@H+]1CCc2ccccc2C1 95883610 166168367 /nfs/dbraw/zinc/16/83/67/166168367.db2.gz XSUWDIKWJOLKAQ-UHFFFAOYSA-N 1 1 187.286 2.621 20 30 AFEDMO C=CC[N@H+](C)C1CCC(F)(F)CC1 306230283 166173058 /nfs/dbraw/zinc/17/30/58/166173058.db2.gz ZBRVIVJFSWWYDZ-UHFFFAOYSA-N 1 1 189.249 2.682 20 30 AFEDMO C=CC[NH2+][C@@H](C)c1c(F)cccc1F 19875817 166189786 /nfs/dbraw/zinc/18/97/86/166189786.db2.gz LLLINORNADLVEG-QMMMGPOBSA-N 1 1 197.228 2.801 20 30 AFEDMO C=CC[NH2+][C@H](C)c1c(F)cccc1F 19875816 166193186 /nfs/dbraw/zinc/19/31/86/166193186.db2.gz LLLINORNADLVEG-MRVPVSSYSA-N 1 1 197.228 2.801 20 30 AFEDMO CC[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 133738836 343925631 /nfs/dbraw/zinc/92/56/31/343925631.db2.gz FRDYHDINKRNHNG-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 133739013 343925671 /nfs/dbraw/zinc/92/56/71/343925671.db2.gz FRDYHDINKRNHNG-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CCC[C@@H](C)[N@@H+](C)CCCCC#N 49579401 167033414 /nfs/dbraw/zinc/03/34/14/167033414.db2.gz UDEGISVRIRPEBN-LLVKDONJSA-N 1 1 182.311 2.801 20 30 AFEDMO CCC[C@H](C)[N@@H+](C)CCCCC#N 49579402 167066358 /nfs/dbraw/zinc/06/63/58/167066358.db2.gz UDEGISVRIRPEBN-NSHDSACASA-N 1 1 182.311 2.801 20 30 AFEDMO CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 334552292 167148075 /nfs/dbraw/zinc/14/80/75/167148075.db2.gz QKRUSCGRWYNFAJ-JTQLQIEISA-N 1 1 188.274 2.571 20 30 AFEDMO CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 334552296 167150454 /nfs/dbraw/zinc/15/04/54/167150454.db2.gz QKRUSCGRWYNFAJ-SNVBAGLBSA-N 1 1 188.274 2.571 20 30 AFEDMO CC[N@H+](CC1CCCC1)C[C@H](C)C#N 42449771 167175460 /nfs/dbraw/zinc/17/54/60/167175460.db2.gz XSYREFDFKZKOFF-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[N@H+](CC1CCCC1)C[C@@H](C)C#N 42449769 167175901 /nfs/dbraw/zinc/17/59/01/167175901.db2.gz XSYREFDFKZKOFF-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC[N@@H+](CCC#N)CCC(C)(C)C 42454562 167177846 /nfs/dbraw/zinc/17/78/46/167177846.db2.gz JXZVHPZTERDKSZ-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CC[N@@H+](CCC(C)C)C[C@@H](C)C#N 42323732 167180168 /nfs/dbraw/zinc/18/01/68/167180168.db2.gz NOYMCVZFHKBOJS-NSHDSACASA-N 1 1 182.311 2.514 20 30 AFEDMO CC[N@@H+](CCC(C)C)C[C@H](C)C#N 42323735 167180938 /nfs/dbraw/zinc/18/09/38/167180938.db2.gz NOYMCVZFHKBOJS-LLVKDONJSA-N 1 1 182.311 2.514 20 30 AFEDMO CC[N@@H+](CCC(C)(C)C)C[C@@H](C)C#N 42449773 167181108 /nfs/dbraw/zinc/18/11/08/167181108.db2.gz OSRRNZGCPRLUCA-NSHDSACASA-N 1 1 196.338 2.904 20 30 AFEDMO CC[N@@H+](CCC(C)(C)C)C[C@H](C)C#N 42449775 167181707 /nfs/dbraw/zinc/18/17/07/167181707.db2.gz OSRRNZGCPRLUCA-LLVKDONJSA-N 1 1 196.338 2.904 20 30 AFEDMO CC[N@@H+](CCCCC#N)CC(C)C 49579377 167182011 /nfs/dbraw/zinc/18/20/11/167182011.db2.gz NWJOTLSPAGRRTB-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO C[C@@H](C#N)C[N@@H+](C)CCC(C)(C)C 42461122 168319219 /nfs/dbraw/zinc/31/92/19/168319219.db2.gz QKRRSSIHVRKFPK-JTQLQIEISA-N 1 1 182.311 2.514 20 30 AFEDMO C[C@@H](C#N)C[N@@H+](C)CC1CCCCC1 42318079 168319961 /nfs/dbraw/zinc/31/99/61/168319961.db2.gz FIJWMGASOFKNLE-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)CC1CCCCC1 42492963 168332200 /nfs/dbraw/zinc/33/22/00/168332200.db2.gz SUDZQSALJZTDHP-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1 37871069 168333878 /nfs/dbraw/zinc/33/38/78/168333878.db2.gz KYMKKQPLNDLDOP-QWRGUYRKSA-N 1 1 188.274 2.639 20 30 AFEDMO C[C@@H](CC#N)[NH2+][C@H](C)c1ccccc1 37871071 168334532 /nfs/dbraw/zinc/33/45/32/168334532.db2.gz KYMKKQPLNDLDOP-WDEREUQCSA-N 1 1 188.274 2.639 20 30 AFEDMO Cc1ccc([C@H](C)[NH2+]CCC#N)cc1 20199521 168840703 /nfs/dbraw/zinc/84/07/03/168840703.db2.gz JVVBHXFZSRUGNY-NSHDSACASA-N 1 1 188.274 2.559 20 30 AFEDMO N#CC[NH+](C1CCCC1)C1CCCC1 70649950 169096011 /nfs/dbraw/zinc/09/60/11/169096011.db2.gz VANKKMFEKFWBIR-UHFFFAOYSA-N 1 1 192.306 2.697 20 30 AFEDMO Cc1ccccc1[C@@H](C)[NH2+]CCC#N 20199765 171168725 /nfs/dbraw/zinc/16/87/25/171168725.db2.gz ASGQNQDXWMWGHP-LLVKDONJSA-N 1 1 188.274 2.559 20 30 AFEDMO C#CC[N@H+]1CCc2ccccc2[C@@H]1CC 45284802 171190179 /nfs/dbraw/zinc/19/01/79/171190179.db2.gz KEIPPCZXDYSUBZ-AWEZNQCLSA-N 1 1 199.297 2.629 20 30 AFEDMO C#CC[N@H+]1CCc2ccccc2[C@H]1CC 45284800 171190652 /nfs/dbraw/zinc/19/06/52/171190652.db2.gz KEIPPCZXDYSUBZ-CQSZACIVSA-N 1 1 199.297 2.629 20 30 AFEDMO N#CCC[N@H+]1CCC[C@@H]1C1CCCC1 44352441 171217759 /nfs/dbraw/zinc/21/77/59/171217759.db2.gz WYUHJJMPEILVIW-GFCCVEGCSA-N 1 1 192.306 2.555 20 30 AFEDMO C#CCCC[N@@H+]1CCCC(C)(C)C1 161126025 344185469 /nfs/dbraw/zinc/18/54/69/344185469.db2.gz ZVAKVYDYEAOVEW-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CC[N@@H+](CCCC(C)C)C[C@H](C)C#N 165323353 344262171 /nfs/dbraw/zinc/26/21/71/344262171.db2.gz JSLGVBCVYQGLAU-GFCCVEGCSA-N 1 1 196.338 2.904 20 30 AFEDMO CC(C)CCC[N@@H+](C)[C@H](C)CC#N 165328982 344262345 /nfs/dbraw/zinc/26/23/45/344262345.db2.gz KXTBGNJRIRKFTR-LLVKDONJSA-N 1 1 182.311 2.657 20 30 AFEDMO CC(C)CCC[N@@H+](C)C[C@@H](C)C#N 165323784 344262365 /nfs/dbraw/zinc/26/23/65/344262365.db2.gz ULFFVAWLTNFVOG-NSHDSACASA-N 1 1 182.311 2.514 20 30 AFEDMO C=CCCCCC[N@H+](C)C[C@@H](C)C#N 235462051 344750468 /nfs/dbraw/zinc/75/04/68/344750468.db2.gz PGRHFYKAVPMVPN-LBPRGKRZSA-N 1 1 194.322 2.824 20 30 AFEDMO C[N@@H+](CC1CCCC1)CC(C)(C)C#N 258961316 344946739 /nfs/dbraw/zinc/94/67/39/344946739.db2.gz SUWOKPKSPBIXLC-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CCCCC[N@H+]1CCC[C@@H](CC#N)C1 259262253 344947813 /nfs/dbraw/zinc/94/78/13/344947813.db2.gz NDBUPLPACNHNRI-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO C=CC[N@@H+]1CC[C@H](C)C[C@H](C)C1 306531873 345403738 /nfs/dbraw/zinc/40/37/38/345403738.db2.gz LDBVCTITKNSPSB-QWRGUYRKSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCC[N@@H+]1CCCC(C)(C)C1 306568842 345445394 /nfs/dbraw/zinc/44/53/94/345445394.db2.gz JUMFVAGSDRPRIZ-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@H](C)CC1 307311327 345963106 /nfs/dbraw/zinc/96/31/06/345963106.db2.gz GAPHEGZLCZDSJX-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@@H](C)CC1 307311324 345963036 /nfs/dbraw/zinc/96/30/36/345963036.db2.gz GAPHEGZLCZDSJX-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO CC#CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C 307412398 346027774 /nfs/dbraw/zinc/02/77/74/346027774.db2.gz REWXEJZKQAGUBE-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CC[N@@H+]1CCCC[C@H](SCC)C1 379412379 346521578 /nfs/dbraw/zinc/52/15/78/346521578.db2.gz JZVIUFLGRWACAN-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCC[N@@H+]1CCCC[C@H](SC)C1 388249554 346548633 /nfs/dbraw/zinc/54/86/33/346548633.db2.gz VQMFDTLSFPCESO-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCC[N@@H+](CC1CC1)C(C)C 388500423 346557263 /nfs/dbraw/zinc/55/72/63/346557263.db2.gz LXVPFSYXGGXJIR-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(CC)cc1 588799807 346767147 /nfs/dbraw/zinc/76/71/47/346767147.db2.gz RCIOUXHTCJBTNG-UHFFFAOYSA-N 1 1 189.302 2.867 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCC1 590598682 346784113 /nfs/dbraw/zinc/78/41/13/346784113.db2.gz MJUASWQDTHDQRP-LBPRGKRZSA-N 1 1 179.307 2.827 20 30 AFEDMO C[C@H]1CCC[N@H+]([C@@H](C)CCC#N)CC1 591011745 346800126 /nfs/dbraw/zinc/80/01/26/346800126.db2.gz AORUAFNKUXFZBL-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CCCC[C@@H](C)C1 591029042 346801444 /nfs/dbraw/zinc/80/14/44/346801444.db2.gz QUVQJKKIZMBAIM-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H](C)[N@@H+](C)C[C@H](C)CCC#N 602439796 346932277 /nfs/dbraw/zinc/93/22/77/346932277.db2.gz NCIFPKCWQGHPAP-GHMZBOCLSA-N 1 1 182.311 2.657 20 30 AFEDMO C=CCCC[N@H+](CCCC)CCOC 605150819 346969075 /nfs/dbraw/zinc/96/90/75/346969075.db2.gz JEPHXLSTKJOPQF-UHFFFAOYSA-N 1 1 199.338 2.701 20 30 AFEDMO C=CCCC[N@H+](C)C[C@@H](C)CC 605150873 346969301 /nfs/dbraw/zinc/96/93/01/346969301.db2.gz UGJPWLGZRNQNCO-NSHDSACASA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCC[N@H+]1CCC[C@H]1c1ccc[nH]1 606895912 346984992 /nfs/dbraw/zinc/98/49/92/346984992.db2.gz FFGWSPPDXWGRLJ-LBPRGKRZSA-N 1 1 190.290 2.728 20 30 AFEDMO C=CCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 606895897 346985001 /nfs/dbraw/zinc/98/50/01/346985001.db2.gz FFGWSPPDXWGRLJ-GFCCVEGCSA-N 1 1 190.290 2.728 20 30 AFEDMO CC#CC[N@H+]1CCC[C@H]1C1CCCC1 607727396 346992546 /nfs/dbraw/zinc/99/25/46/346992546.db2.gz TVKGKMYHWYUNBX-ZDUSSCGKSA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CC[N@@H+](C)CCC1CCCCC1 607728961 346993428 /nfs/dbraw/zinc/99/34/28/346993428.db2.gz XDWVKSLQDITAHN-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C=C(C)C[N@H+](C(C)C)C1CCC1 607155914 346989466 /nfs/dbraw/zinc/98/94/66/346989466.db2.gz NLQKBLVXFNIDGF-UHFFFAOYSA-N 1 1 167.296 2.825 20 30 AFEDMO CC(C)C[C@@H]1CCCC[N@H+]1CCC#N 610705845 347028936 /nfs/dbraw/zinc/02/89/36/347028936.db2.gz LICZJNAKUZYLCK-LBPRGKRZSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CC1 610786477 347031706 /nfs/dbraw/zinc/03/17/06/347031706.db2.gz ZALKFOFOOCUFCY-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)CC[N@H+]1CCC[C@@](C)(C#N)C1 612158180 347045554 /nfs/dbraw/zinc/04/55/54/347045554.db2.gz IAVJHDUDERRNPY-LBPRGKRZSA-N 1 1 194.322 2.658 20 30 AFEDMO C=C(C)C[N@H+](C)CC(C)(C)C 2535660 342975065 /nfs/dbraw/zinc/97/50/65/342975065.db2.gz LIHQDHCRJMUUJD-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=C(C)C[N@H+](C)C(C)(C)CC 17712642 343047191 /nfs/dbraw/zinc/04/71/91/343047191.db2.gz LYVIMWPAPXOWQH-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO CC[C@H]([NH2+]CCC#N)c1ccccc1 20199525 343068941 /nfs/dbraw/zinc/06/89/41/343068941.db2.gz OPIKIZLGUWLMEU-LBPRGKRZSA-N 1 1 188.274 2.641 20 30 AFEDMO CC[C@@H]([NH2+]CCC#N)c1ccccc1 20199523 343069022 /nfs/dbraw/zinc/06/90/22/343069022.db2.gz OPIKIZLGUWLMEU-GFCCVEGCSA-N 1 1 188.274 2.641 20 30 AFEDMO C=CC[N@H+]1CCC[C@@H]1C1CCCC1 35051677 343127740 /nfs/dbraw/zinc/12/77/40/343127740.db2.gz QKMBTMTVHRZJNH-GFCCVEGCSA-N 1 1 179.307 2.827 20 30 AFEDMO C[N@@H+](CCCC#N)C1CCCCCC1 35175675 343129362 /nfs/dbraw/zinc/12/93/62/343129362.db2.gz LQFQCEFOWNZMJV-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO CC[C@H](CC#N)[NH2+]Cc1cccs1 36987689 343157335 /nfs/dbraw/zinc/15/73/35/343157335.db2.gz OSIVHXKTMFAKEO-SECBINFHSA-N 1 1 194.303 2.530 20 30 AFEDMO CC[C@@H](CC#N)[NH2+]Cc1cccs1 36987688 343157469 /nfs/dbraw/zinc/15/74/69/343157469.db2.gz OSIVHXKTMFAKEO-VIFPVBQESA-N 1 1 194.303 2.530 20 30 AFEDMO C[C@H]([NH2+][C@H](C)CC#N)c1ccccc1 37871070 343178959 /nfs/dbraw/zinc/17/89/59/343178959.db2.gz KYMKKQPLNDLDOP-MNOVXSKESA-N 1 1 188.274 2.639 20 30 AFEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccccc1 37871072 343178980 /nfs/dbraw/zinc/17/89/80/343178980.db2.gz KYMKKQPLNDLDOP-GHMZBOCLSA-N 1 1 188.274 2.639 20 30 AFEDMO C=CC[N@H+](C)[C@@H](C)c1ccccc1 38973540 343192562 /nfs/dbraw/zinc/19/25/62/343192562.db2.gz KOOHOUSTONASDU-NSHDSACASA-N 1 1 175.275 2.865 20 30 AFEDMO CC(C)[N@@H+](CCC#N)C1CCCC1 39111957 343199457 /nfs/dbraw/zinc/19/94/57/343199457.db2.gz PTEQWNNTYNPSQK-UHFFFAOYSA-N 1 1 180.295 2.553 20 30 AFEDMO C[N@@H+](CCCCC#N)C1CCCCC1 42221797 343238271 /nfs/dbraw/zinc/23/82/71/343238271.db2.gz RWSFYIYSPPVGDY-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO CCC[N@@H+](CCCCC#N)CC1CC1 42223097 343238608 /nfs/dbraw/zinc/23/86/08/343238608.db2.gz VIADVUXLYWQBCK-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CCCC[N@@H+](CC)CCCCC#N 42223041 343238672 /nfs/dbraw/zinc/23/86/72/343238672.db2.gz PLKHXNMCKJJHCD-UHFFFAOYSA-N 1 1 182.311 2.802 20 30 AFEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC#N 42253233 343238740 /nfs/dbraw/zinc/23/87/40/343238740.db2.gz JLJWCJMGJASHOH-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC#N 42253244 343239067 /nfs/dbraw/zinc/23/90/67/343239067.db2.gz JLJWCJMGJASHOH-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC#N 42253238 343239103 /nfs/dbraw/zinc/23/91/03/343239103.db2.gz JLJWCJMGJASHOH-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H]([N@@H+](C)CCCC#N)C(C)(C)C 42253303 343239493 /nfs/dbraw/zinc/23/94/93/343239493.db2.gz SFSUYGKZNAGJHW-SNVBAGLBSA-N 1 1 182.311 2.657 20 30 AFEDMO C[N@@H+](CCCC#N)CC1CCCCC1 42270176 343239660 /nfs/dbraw/zinc/23/96/60/343239660.db2.gz YXEFSXFMAANVAM-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CC(C)C[N@@H+](CCCC#N)C(C)C 42253367 343239564 /nfs/dbraw/zinc/23/95/64/343239564.db2.gz LDOIUPDWQKHNPZ-UHFFFAOYSA-N 1 1 182.311 2.657 20 30 AFEDMO CCC(CC)C[N@@H+](CC)CCC#N 42270214 343239599 /nfs/dbraw/zinc/23/95/99/343239599.db2.gz FMIRUEDRESXILM-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO C[C@H](C#N)C[N@@H+](C)CC1CCCCC1 42318075 343240184 /nfs/dbraw/zinc/24/01/84/343240184.db2.gz FIJWMGASOFKNLE-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCCC#N)C1 42337993 343240422 /nfs/dbraw/zinc/24/04/22/343240422.db2.gz ZZPQNKYISBIKOV-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCCC#N)C1 42337996 343240582 /nfs/dbraw/zinc/24/05/82/343240582.db2.gz ZZPQNKYISBIKOV-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCC[N@@H+](CCCC#N)C1CC1 42337967 343240625 /nfs/dbraw/zinc/24/06/25/343240625.db2.gz KPNDVLWRBKLLNY-UHFFFAOYSA-N 1 1 180.295 2.555 20 30 AFEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCCC#N)C1 42337995 343240629 /nfs/dbraw/zinc/24/06/29/343240629.db2.gz ZZPQNKYISBIKOV-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCCC#N)C1 42337994 343240665 /nfs/dbraw/zinc/24/06/65/343240665.db2.gz ZZPQNKYISBIKOV-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CCC#N)CC1CCCCC1 42454469 343243411 /nfs/dbraw/zinc/24/34/11/343243411.db2.gz SWAHQZZVJFPESN-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@H](CC#N)[N@@H+](C)CC1CCCCC1 42492964 343244253 /nfs/dbraw/zinc/24/42/53/343244253.db2.gz SUDZQSALJZTDHP-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC(CC)C[N@@H+](CC)C[C@@H](C)C#N 42487730 343244452 /nfs/dbraw/zinc/24/44/52/343244452.db2.gz WDSBRBGAIUTXGZ-NSHDSACASA-N 1 1 196.338 2.904 20 30 AFEDMO CCC(CC)C[N@@H+](CC)C[C@H](C)C#N 42487731 343244577 /nfs/dbraw/zinc/24/45/77/343244577.db2.gz WDSBRBGAIUTXGZ-LLVKDONJSA-N 1 1 196.338 2.904 20 30 AFEDMO CCC1CCC([N@@H+](C)CCC#N)CC1 42515822 343245063 /nfs/dbraw/zinc/24/50/63/343245063.db2.gz WEJDIBZXSSEBCB-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)[N@@H+](CCCCC#N)CC1CC1 42582985 343247918 /nfs/dbraw/zinc/24/79/18/343247918.db2.gz ZFDRQGFFDFVKNW-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)C1CCCC1 43419687 343252158 /nfs/dbraw/zinc/25/21/58/343252158.db2.gz OZLJLIHTXHQYDB-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCCC[N@@H+](CCC#N)C(C)C 47953419 343273548 /nfs/dbraw/zinc/27/35/48/343273548.db2.gz OTZUNYZMMDMDQA-UHFFFAOYSA-N 1 1 182.311 2.801 20 30 AFEDMO CCC[N@@H+](CCCCC#N)C1CC1 49579372 343275960 /nfs/dbraw/zinc/27/59/60/343275960.db2.gz WSVJLBPAUUNJBW-UHFFFAOYSA-N 1 1 180.295 2.555 20 30 AFEDMO CC[C@@H]1CCC[N@@H+](CCCCC#N)C1 49579404 343276040 /nfs/dbraw/zinc/27/60/40/343276040.db2.gz XDPVXROTAFSZTK-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO CCC[N@@H+](CCCCC#N)C(C)C 49579371 343276052 /nfs/dbraw/zinc/27/60/52/343276052.db2.gz TZQFZFIDNFUWLT-UHFFFAOYSA-N 1 1 182.311 2.801 20 30 AFEDMO C[N@@H+](CCCCC#N)C1CCCC1 49579369 343276063 /nfs/dbraw/zinc/27/60/63/343276063.db2.gz UWMPTTMDFBMDAT-UHFFFAOYSA-N 1 1 180.295 2.555 20 30 AFEDMO C[C@H]1CCC[C@@H](C)[N@H+]1CCCCC#N 49579359 343276082 /nfs/dbraw/zinc/27/60/82/343276082.db2.gz ORGQCHRBCWEDEW-TXEJJXNPSA-N 1 1 194.322 2.943 20 30 AFEDMO CC[C@H]1CCC[N@@H+](CCCCC#N)C1 49579405 343276147 /nfs/dbraw/zinc/27/61/47/343276147.db2.gz XDPVXROTAFSZTK-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 49806966 343276832 /nfs/dbraw/zinc/27/68/32/343276832.db2.gz VZOVOEKVLIMXQG-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@H](c1ccccc1)[N@H+](C)CCC#N 49806301 343276901 /nfs/dbraw/zinc/27/69/01/343276901.db2.gz DAFDZQBWDNOANZ-LLVKDONJSA-N 1 1 188.274 2.593 20 30 AFEDMO C[C@H](c1ccccc1)[N@@H+](C)CCC#N 49806301 343276902 /nfs/dbraw/zinc/27/69/02/343276902.db2.gz DAFDZQBWDNOANZ-LLVKDONJSA-N 1 1 188.274 2.593 20 30 AFEDMO C[N@@H+](CCC#N)CCC1=CCCCC1 49806945 343277021 /nfs/dbraw/zinc/27/70/21/343277021.db2.gz MTYFBULSDVGAQP-UHFFFAOYSA-N 1 1 192.306 2.722 20 30 AFEDMO CC[C@H](C)C[N@@H+](CCC#N)C(C)C 50424527 343282733 /nfs/dbraw/zinc/28/27/33/343282733.db2.gz VOGGQUJTIQEHKP-NSHDSACASA-N 1 1 182.311 2.657 20 30 AFEDMO CC[C@H](C)C[N@@H+](CC)C[C@@H](C)C#N 50424521 343282810 /nfs/dbraw/zinc/28/28/10/343282810.db2.gz WMAUAVQKAJQFQA-QWRGUYRKSA-N 1 1 182.311 2.514 20 30 AFEDMO C[C@H]1CCC[N@@H+](CCCCC#N)[C@@H]1C 50564805 343284409 /nfs/dbraw/zinc/28/44/09/343284409.db2.gz LCHAIZISUFGHDQ-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H]1CC[N@@H+](CCCCC#N)[C@H](C)C1 51731937 343292467 /nfs/dbraw/zinc/29/24/67/343292467.db2.gz NSIDLTAZNAFRKY-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H](CC#N)[NH2+]Cc1ccsc1 54181996 343319726 /nfs/dbraw/zinc/31/97/26/343319726.db2.gz VVDOYNKJDQAYTG-SNVBAGLBSA-N 1 1 194.303 2.530 20 30 AFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccsc1 54181995 343320137 /nfs/dbraw/zinc/32/01/37/343320137.db2.gz VVDOYNKJDQAYTG-JTQLQIEISA-N 1 1 194.303 2.530 20 30 AFEDMO C[C@H](CC#N)[N@@H+](C)CCC(C)(C)C 63095849 343402518 /nfs/dbraw/zinc/40/25/18/343402518.db2.gz JKXXNZKFWTUVGX-SNVBAGLBSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)CCC(C)(C)C 63095847 343402527 /nfs/dbraw/zinc/40/25/27/343402527.db2.gz JKXXNZKFWTUVGX-JTQLQIEISA-N 1 1 182.311 2.657 20 30 AFEDMO C=CC[N@H+](CC)Cc1cccs1 65576898 343408579 /nfs/dbraw/zinc/40/85/79/343408579.db2.gz KQYUWPGJMBMSHG-UHFFFAOYSA-N 1 1 181.304 2.756 20 30 AFEDMO CCC(C)(C)[N@@H+](C)CCCCC#N 68997909 343419955 /nfs/dbraw/zinc/41/99/55/343419955.db2.gz JOFZFKXPHQMOJG-UHFFFAOYSA-N 1 1 182.311 2.801 20 30 AFEDMO CC1(C)CCC[N@@H+](CCCCC#N)C1 69793322 343441996 /nfs/dbraw/zinc/44/19/96/343441996.db2.gz UIDDORKVAIODGD-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CCCc1[nH+]ccn1CCCCC#N 69963944 343460411 /nfs/dbraw/zinc/46/04/11/343460411.db2.gz RWBMLMBBRRHRDN-UHFFFAOYSA-N 1 1 191.278 2.529 20 30 AFEDMO C#CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 70159613 343475655 /nfs/dbraw/zinc/47/56/55/343475655.db2.gz XWCQVGJBQQLBKB-STQMWFEESA-N 1 1 191.318 2.664 20 30 AFEDMO C#CCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 70159455 343475678 /nfs/dbraw/zinc/47/56/78/343475678.db2.gz UIVYNNWIWJBWKW-CHWSQXEVSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 70159454 343475828 /nfs/dbraw/zinc/47/58/28/343475828.db2.gz UIVYNNWIWJBWKW-QWHCGFSZSA-N 1 1 191.318 2.522 20 30 AFEDMO CCCC[N@H+](CC#N)C1CCCC1 70212535 343479259 /nfs/dbraw/zinc/47/92/59/343479259.db2.gz JUPFNEVJAVYBIJ-UHFFFAOYSA-N 1 1 180.295 2.555 20 30 AFEDMO CCCC[N@@H+](CC#N)C1CCCC1 70212535 343479261 /nfs/dbraw/zinc/47/92/61/343479261.db2.gz JUPFNEVJAVYBIJ-UHFFFAOYSA-N 1 1 180.295 2.555 20 30 AFEDMO CC(C)CC[N@H+](CC#N)C1CCCC1 70216307 343479450 /nfs/dbraw/zinc/47/94/50/343479450.db2.gz QSNABEIDFMFVLZ-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)CC[N@@H+](CC#N)C1CCCC1 70216307 343479453 /nfs/dbraw/zinc/47/94/53/343479453.db2.gz QSNABEIDFMFVLZ-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)[C@H]1CCC[N@@H+](CCC#N)CC1 70559845 343490896 /nfs/dbraw/zinc/49/08/96/343490896.db2.gz FOWLJVSJPDBCNQ-LBPRGKRZSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)[C@@H]1CCC[N@@H+](CCC#N)CC1 70559844 343491006 /nfs/dbraw/zinc/49/10/06/343491006.db2.gz FOWLJVSJPDBCNQ-GFCCVEGCSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H]1CCC[N@@H+](CCCC#N)CC1 70609753 343502361 /nfs/dbraw/zinc/50/23/61/343502361.db2.gz VFDLATLUTHNQHG-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[C@@H]1CCC[N@@H+](CCCC#N)CC1 70609752 343502410 /nfs/dbraw/zinc/50/24/10/343502410.db2.gz VFDLATLUTHNQHG-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO CC(C)[N@H+](CC#N)C1CCCCC1 70650065 343518432 /nfs/dbraw/zinc/51/84/32/343518432.db2.gz XUPPUWNXRKGTHC-UHFFFAOYSA-N 1 1 180.295 2.553 20 30 AFEDMO CC(C)[N@@H+](CC#N)C1CCCCC1 70650065 343518435 /nfs/dbraw/zinc/51/84/35/343518435.db2.gz XUPPUWNXRKGTHC-UHFFFAOYSA-N 1 1 180.295 2.553 20 30 AFEDMO CC(C)(C)CC[N@H+]1CCC[C@H](C#N)C1 70663310 343522665 /nfs/dbraw/zinc/52/26/65/343522665.db2.gz NKBDFEJYKJLKJV-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)(C)CC[N@H+]1CCC[C@@H](C#N)C1 70663311 343522870 /nfs/dbraw/zinc/52/28/70/343522870.db2.gz NKBDFEJYKJLKJV-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C=CCCC[N@H+](CC#N)C1CCCC1 70714976 343526939 /nfs/dbraw/zinc/52/69/39/343526939.db2.gz KPFQYGVLODBNTK-UHFFFAOYSA-N 1 1 192.306 2.721 20 30 AFEDMO C=CCCC[N@@H+](CC#N)C1CCCC1 70714976 343526942 /nfs/dbraw/zinc/52/69/42/343526942.db2.gz KPFQYGVLODBNTK-UHFFFAOYSA-N 1 1 192.306 2.721 20 30 AFEDMO C[N@@H+](CCCCC#N)CC1CCCC1 82382637 343599706 /nfs/dbraw/zinc/59/97/06/343599706.db2.gz ZTIPLJDZGMJURW-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CC(C)[C@H]1CCC[N@H+]1CCCCC#N 82382634 343599788 /nfs/dbraw/zinc/59/97/88/343599788.db2.gz VWDYNFTUAIWVNB-GFCCVEGCSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)[C@@H]1CCC[N@H+]1CCCCC#N 82382633 343599794 /nfs/dbraw/zinc/59/97/94/343599794.db2.gz VWDYNFTUAIWVNB-LBPRGKRZSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC(CC)[N@@H+](CCC#N)C1CC1 82425213 343603759 /nfs/dbraw/zinc/60/37/59/343603759.db2.gz HNYPWIBGYUGLBD-UHFFFAOYSA-N 1 1 180.295 2.553 20 30 AFEDMO C[N@@H+](CCC(C)(C)C#N)CC(C)(C)C 83640542 343622266 /nfs/dbraw/zinc/62/22/66/343622266.db2.gz UHPGZNGCXOXOCL-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 83642712 343622284 /nfs/dbraw/zinc/62/22/84/343622284.db2.gz VAYOOUNVGGGRTO-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H](C1CC1)[N@@H+](C)CCC(C)(C)C#N 83640520 343622299 /nfs/dbraw/zinc/62/22/99/343622299.db2.gz NRTDBFKAAPHVHD-SNVBAGLBSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)CC[N@@H+](C)CCC(C)(C)C#N 83640535 343622332 /nfs/dbraw/zinc/62/23/32/343622332.db2.gz ZDGPPZOBPMOJDN-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO CC[C@H](C)[N@@H+](C)CCC(C)(C)C#N 83640506 343622364 /nfs/dbraw/zinc/62/23/64/343622364.db2.gz SCLWHKKBRHMCJD-JTQLQIEISA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 83642714 343622388 /nfs/dbraw/zinc/62/23/88/343622388.db2.gz VAYOOUNVGGGRTO-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)CCC(C)(C)C#N 83640512 343622424 /nfs/dbraw/zinc/62/24/24/343622424.db2.gz TWXKNCGYOPBONZ-NSHDSACASA-N 1 1 196.338 2.904 20 30 AFEDMO C[C@@H](C1CC1)[N@@H+](C)CCC(C)(C)C#N 83640519 343622435 /nfs/dbraw/zinc/62/24/35/343622435.db2.gz NRTDBFKAAPHVHD-JTQLQIEISA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)C[N@@H+](C)CCCC(C)(C)C#N 83642699 343622455 /nfs/dbraw/zinc/62/24/55/343622455.db2.gz PQCIIHICNLJOOK-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO CCC[N@@H+](CCC(C)(C)C#N)C1CC1 83640502 343622481 /nfs/dbraw/zinc/62/24/81/343622481.db2.gz FHOHMWXOHYNZJT-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H]1CCC[N@H+]1CCC(C)(C)C#N 83640529 343622488 /nfs/dbraw/zinc/62/24/88/343622488.db2.gz XQPVXMHZMCFCOL-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCC[N@@H+](C)CCC(C)(C)C#N 83640488 343622501 /nfs/dbraw/zinc/62/25/01/343622501.db2.gz DTSMVSRAEUNKDE-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CC(C)[C@H](C)[N@@H+](C)CCC(C)(C)C#N 83640522 343622505 /nfs/dbraw/zinc/62/25/05/343622505.db2.gz JZDFGUSPOZCKFG-NSHDSACASA-N 1 1 196.338 2.903 20 30 AFEDMO CC[N@@H+](CCC(C)(C)C#N)CC(C)C 83640507 343622569 /nfs/dbraw/zinc/62/25/69/343622569.db2.gz ZVLPYYZAIXINLH-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO C[N@@H+](CCC(C)(C)C#N)C1CCCC1 83640499 343622581 /nfs/dbraw/zinc/62/25/81/343622581.db2.gz IYBHJZBKLDFQGB-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CCCC(C)(C)C#N)C1CC1 83642689 343622593 /nfs/dbraw/zinc/62/25/93/343622593.db2.gz NCHXMCWQMBCTAY-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[N@@H+](C)CCCC(C)(C)C#N 83642697 343622601 /nfs/dbraw/zinc/62/26/01/343622601.db2.gz WNKUURVRJXYOJL-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO Cc1[nH+]ccn1CCCC(C)(C)C#N 83642225 343622608 /nfs/dbraw/zinc/62/26/08/343622608.db2.gz WGSUHDWQHXIAIV-UHFFFAOYSA-N 1 1 191.278 2.522 20 30 AFEDMO CC(C)C[N@@H+](C)CCC(C)(C)C#N 83640504 343622627 /nfs/dbraw/zinc/62/26/27/343622627.db2.gz UTPJKCZWBVBNLM-UHFFFAOYSA-N 1 1 182.311 2.514 20 30 AFEDMO CC[C@@H](C)C[N@@H+](C)CCC(C)(C)C#N 83640511 343622684 /nfs/dbraw/zinc/62/26/84/343622684.db2.gz TWXKNCGYOPBONZ-LLVKDONJSA-N 1 1 196.338 2.904 20 30 AFEDMO CC[N@@H+](CCC(C)(C)C#N)CC1CC1 83640552 343622691 /nfs/dbraw/zinc/62/26/91/343622691.db2.gz PGZPDZYETANBFI-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N 83642708 343622704 /nfs/dbraw/zinc/62/27/04/343622704.db2.gz VICUVPWFRXHNAJ-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H]1CCC[N@H+]1CCC(C)(C)C#N 83640530 343622708 /nfs/dbraw/zinc/62/27/08/343622708.db2.gz XQPVXMHZMCFCOL-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[N@@H+](CC)CCC(C)(C)C#N 83640500 343622714 /nfs/dbraw/zinc/62/27/14/343622714.db2.gz HBGACCQIKIHLLO-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N 83642706 343622734 /nfs/dbraw/zinc/62/27/34/343622734.db2.gz VICUVPWFRXHNAJ-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H](C)[N@@H+](C)CCC(C)(C)C#N 83640505 343622742 /nfs/dbraw/zinc/62/27/42/343622742.db2.gz SCLWHKKBRHMCJD-SNVBAGLBSA-N 1 1 182.311 2.657 20 30 AFEDMO CC(C)[C@@H](C)[N@@H+](C)CCC(C)(C)C#N 83640521 343622770 /nfs/dbraw/zinc/62/27/70/343622770.db2.gz JZDFGUSPOZCKFG-LLVKDONJSA-N 1 1 196.338 2.903 20 30 AFEDMO N#CC[N@H+](CC1CCC1)C1CCCC1 83838989 343625533 /nfs/dbraw/zinc/62/55/33/343625533.db2.gz NNCSSQQHRYHMCK-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CC[N@@H+](CC1CCC1)C1CCCC1 83838989 343625534 /nfs/dbraw/zinc/62/55/34/343625534.db2.gz NNCSSQQHRYHMCK-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 83862240 343626028 /nfs/dbraw/zinc/62/60/28/343626028.db2.gz KSVAGIJEEYGROK-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO CCCC[N@@H+](CC)CC1(CC#N)CC1 83862251 343626099 /nfs/dbraw/zinc/62/60/99/343626099.db2.gz RGXFQBOLQCURMZ-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[N@@H+](CC(C)C)CC1(CC#N)CC1 83862283 343626129 /nfs/dbraw/zinc/62/61/29/343626129.db2.gz WPAUFMYNKUDFLP-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C[N@@H+](CC1(CC#N)CC1)C1CCCC1 83862268 343626175 /nfs/dbraw/zinc/62/61/75/343626175.db2.gz APWABHHYIQQQRD-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO CCC[N@@H+](CC1(CC#N)CC1)C1CC1 83862276 343626318 /nfs/dbraw/zinc/62/63/18/343626318.db2.gz XEZVEZPQRQOUNK-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 83862241 343626373 /nfs/dbraw/zinc/62/63/73/343626373.db2.gz KSVAGIJEEYGROK-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO CCC[N@@H+](CC1(CC#N)CC1)C(C)C 83862273 343626413 /nfs/dbraw/zinc/62/64/13/343626413.db2.gz UXBDKQDLUOCCIO-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 83862310 343626585 /nfs/dbraw/zinc/62/65/85/343626585.db2.gz MTMVEJFYPQPWAS-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)CC1(CC#N)CC1 83862290 343626590 /nfs/dbraw/zinc/62/65/90/343626590.db2.gz MBKCGSAONCGHCN-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C[N@@H+](CC(C)(C)C)CC1(CC#N)CC1 83862353 343626628 /nfs/dbraw/zinc/62/66/28/343626628.db2.gz LPJUDZHCNGCGCK-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CCC[C@H](C)[N@@H+](C)CC1(CC#N)CC1 83862312 343626654 /nfs/dbraw/zinc/62/66/54/343626654.db2.gz MTMVEJFYPQPWAS-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)[C@H](C)[N@@H+](C)CC1(CC#N)CC1 83862306 343626705 /nfs/dbraw/zinc/62/67/05/343626705.db2.gz RWCYVBSLDYHZHA-NSHDSACASA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@@H](C)[N@@H+](CC)CC1(CC#N)CC1 83862284 343626711 /nfs/dbraw/zinc/62/67/11/343626711.db2.gz JGRGKRWAHBJDAR-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 83862304 343626722 /nfs/dbraw/zinc/62/67/22/343626722.db2.gz RWCYVBSLDYHZHA-LLVKDONJSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H]1CCC[N@H+]1CC1(CC#N)CC1 83862323 343626758 /nfs/dbraw/zinc/62/67/58/343626758.db2.gz HTTSDBRVJWVIGP-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO CC(C)CC[N@@H+](C)CC1(CC#N)CC1 83862333 343626785 /nfs/dbraw/zinc/62/67/85/343626785.db2.gz NSJDBEUAUPHAFU-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CCC(C)(C)[N@@H+](C)CC1(CC#N)CC1 83862378 343626801 /nfs/dbraw/zinc/62/68/01/343626801.db2.gz GOOGZFLUBMOMIO-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H](C)[N@@H+](CC)CC1(CC#N)CC1 83862285 343626810 /nfs/dbraw/zinc/62/68/10/343626810.db2.gz JGRGKRWAHBJDAR-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 83862322 343626904 /nfs/dbraw/zinc/62/69/04/343626904.db2.gz HTTSDBRVJWVIGP-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO CC[C@@H](C)C[N@@H+](C)CC1(CC#N)CC1 83862289 343626982 /nfs/dbraw/zinc/62/69/82/343626982.db2.gz MBKCGSAONCGHCN-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CCC(CC)[N@H+](CC#N)CC(C)C 86453471 343651879 /nfs/dbraw/zinc/65/18/79/343651879.db2.gz NHKHENXFTBQBCW-UHFFFAOYSA-N 1 1 182.311 2.657 20 30 AFEDMO CCC(CC)[N@@H+](CC#N)CC(C)C 86453471 343651880 /nfs/dbraw/zinc/65/18/80/343651880.db2.gz NHKHENXFTBQBCW-UHFFFAOYSA-N 1 1 182.311 2.657 20 30 AFEDMO CC[C@H](C)C[N@@H+](CC)CCCC#N 86437654 343652041 /nfs/dbraw/zinc/65/20/41/343652041.db2.gz JKRMQYYVJMKRLN-NSHDSACASA-N 1 1 182.311 2.658 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CC)CCCC#N 86437651 343652063 /nfs/dbraw/zinc/65/20/63/343652063.db2.gz JKRMQYYVJMKRLN-LLVKDONJSA-N 1 1 182.311 2.658 20 30 AFEDMO CCC1(CC)CC[N@@H+](CCCC#N)C1 87254259 343658877 /nfs/dbraw/zinc/65/88/77/343658877.db2.gz NZAAZBYYCWNXQV-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO N#CC[C@H]1CCC[N@H+](C2CCCC2)C1 107462906 343750018 /nfs/dbraw/zinc/75/00/18/343750018.db2.gz BRDWANVFISAYIC-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CC[C@@H]1CCC[N@H+](C2CCCC2)C1 107462907 343750080 /nfs/dbraw/zinc/75/00/80/343750080.db2.gz BRDWANVFISAYIC-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO CC(C)CC[N@@H+](CCCC#N)C1CC1 107812542 343750313 /nfs/dbraw/zinc/75/03/13/343750313.db2.gz ZQQDLZUWCNUQGG-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCCC#N 108304274 343752444 /nfs/dbraw/zinc/75/24/44/343752444.db2.gz STHCYFUQKMYGRI-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)(C)[C@H]1CC[N@@H+](CCCC#N)C1 108304262 343752449 /nfs/dbraw/zinc/75/24/49/343752449.db2.gz LCBSBOSBBXUFCH-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCCC#N)C1 108304261 343752552 /nfs/dbraw/zinc/75/25/52/343752552.db2.gz LCBSBOSBBXUFCH-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCCC#N 108304277 343752582 /nfs/dbraw/zinc/75/25/82/343752582.db2.gz STHCYFUQKMYGRI-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CC[N@H+](CC)Cc1ccccc1 118636300 343776251 /nfs/dbraw/zinc/77/62/51/343776251.db2.gz XFBCTRYCNFNWSE-UHFFFAOYSA-N 1 1 175.275 2.695 20 30 AFEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCCCC#N 124573835 343786890 /nfs/dbraw/zinc/78/68/90/343786890.db2.gz SMPTVUSOEIINGC-NWDGAFQWSA-N 1 1 194.322 2.943 20 30 AFEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCCCC#N 124574261 343786954 /nfs/dbraw/zinc/78/69/54/343786954.db2.gz SMPTVUSOEIINGC-NEPJUHHUSA-N 1 1 194.322 2.943 20 30 AFEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCCCC#N 124573974 343787047 /nfs/dbraw/zinc/78/70/47/343787047.db2.gz SMPTVUSOEIINGC-RYUDHWBXSA-N 1 1 194.322 2.943 20 30 AFEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCCCC#N 124574119 343787182 /nfs/dbraw/zinc/78/71/82/343787182.db2.gz SMPTVUSOEIINGC-VXGBXAGGSA-N 1 1 194.322 2.943 20 30 AFEDMO C[N@@H+](CCCC(C)(C)C#N)C1CCC1 128809978 343837864 /nfs/dbraw/zinc/83/78/64/343837864.db2.gz SIVDZBBJOKEULR-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC(CC)C[N@@H+](C)[C@H](C)CC#N 129115136 343844342 /nfs/dbraw/zinc/84/43/42/343844342.db2.gz BDKGVHIVJQNJMV-SNVBAGLBSA-N 1 1 182.311 2.657 20 30 AFEDMO CCC(CC)C[N@@H+](C)C[C@@H](C)C#N 129113275 343844379 /nfs/dbraw/zinc/84/43/79/343844379.db2.gz JFWKBJCALKDNHX-JTQLQIEISA-N 1 1 182.311 2.514 20 30 AFEDMO CCC(CC)C[N@@H+](C)C[C@H](C)C#N 129113528 343844406 /nfs/dbraw/zinc/84/44/06/343844406.db2.gz JFWKBJCALKDNHX-SNVBAGLBSA-N 1 1 182.311 2.514 20 30 AFEDMO CCC(CC)C[N@@H+](C)[C@@H](C)CC#N 129114919 343844458 /nfs/dbraw/zinc/84/44/58/343844458.db2.gz BDKGVHIVJQNJMV-JTQLQIEISA-N 1 1 182.311 2.657 20 30 AFEDMO C=C[C@H](C)Nc1cc[nH+]cc1Cl 130649706 343871955 /nfs/dbraw/zinc/87/19/55/343871955.db2.gz ORZYXTCRDYVUMU-ZETCQYMHSA-N 1 1 182.654 2.721 20 30 AFEDMO C=C[C@@H](C)Nc1cc[nH+]cc1Cl 130649947 343872219 /nfs/dbraw/zinc/87/22/19/343872219.db2.gz ORZYXTCRDYVUMU-SSDOTTSWSA-N 1 1 182.654 2.721 20 30 AFEDMO C[C@H]1CC[N@@H+](CCCCC#N)C[C@@H]1C 135085283 343954376 /nfs/dbraw/zinc/95/43/76/343954376.db2.gz VJONJVNKNHZCNO-RYUDHWBXSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]1CC[N@@H+](CCCCC#N)C[C@@H]1C 135085266 343954421 /nfs/dbraw/zinc/95/44/21/343954421.db2.gz VJONJVNKNHZCNO-NEPJUHHUSA-N 1 1 194.322 2.658 20 30 AFEDMO C=CC[N@H+](C)C1CCC(C)CC1 142544359 344013289 /nfs/dbraw/zinc/01/32/89/344013289.db2.gz JREMMNJBGZLQIY-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@H+](C)CCc1ccccc1 143555471 344019758 /nfs/dbraw/zinc/01/97/58/344019758.db2.gz JDRCZTOWDJZOIZ-UHFFFAOYSA-N 1 1 189.302 2.737 20 30 AFEDMO C=CCC[N@H+](C)CC(C)(C)C 143557774 344019942 /nfs/dbraw/zinc/01/99/42/344019942.db2.gz VESSOWPHPNAZTJ-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](C)C1 144922632 344030444 /nfs/dbraw/zinc/03/04/44/344030444.db2.gz FMTZFMAWGDRJQE-RYUDHWBXSA-N 1 1 194.322 2.658 20 30 AFEDMO C=CC[N@H+](C(C)C)C1CCCC1 149534195 344067564 /nfs/dbraw/zinc/06/75/64/344067564.db2.gz UNWOXWOJLVAQJP-UHFFFAOYSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CC[N@H+](CC(C)C)C(C)C 150256027 344078571 /nfs/dbraw/zinc/07/85/71/344078571.db2.gz QWTOZRQCLOWNCW-UHFFFAOYSA-N 1 1 155.285 2.539 20 30 AFEDMO CC[N@@H+](CCCC(C)C)C[C@@H](C)C#N 165323225 344261800 /nfs/dbraw/zinc/26/18/00/344261800.db2.gz JSLGVBCVYQGLAU-LBPRGKRZSA-N 1 1 196.338 2.904 20 30 AFEDMO CC(C)CCC[N@@H+](C)C[C@H](C)C#N 165323908 344262207 /nfs/dbraw/zinc/26/22/07/344262207.db2.gz ULFFVAWLTNFVOG-LLVKDONJSA-N 1 1 182.311 2.514 20 30 AFEDMO CC[N@H+](CCC#N)CCCC(C)C 165323500 344262250 /nfs/dbraw/zinc/26/22/50/344262250.db2.gz DJZXJTKMDULVQB-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CC(C)CCC[N@@H+](C)[C@@H](C)CC#N 165328852 344262390 /nfs/dbraw/zinc/26/23/90/344262390.db2.gz KXTBGNJRIRKFTR-NSHDSACASA-N 1 1 182.311 2.657 20 30 AFEDMO C=C(C)CC[N@H+](CC#N)C1CCCC1 168035890 344319617 /nfs/dbraw/zinc/31/96/17/344319617.db2.gz NDWHEGNQKKMCCO-UHFFFAOYSA-N 1 1 192.306 2.721 20 30 AFEDMO C=C(C)CC[N@@H+](CC#N)C1CCCC1 168035890 344319619 /nfs/dbraw/zinc/31/96/19/344319619.db2.gz NDWHEGNQKKMCCO-UHFFFAOYSA-N 1 1 192.306 2.721 20 30 AFEDMO CCC[C@H]1CCCC[N@H+]1CCC#N 213426686 344381240 /nfs/dbraw/zinc/38/12/40/344381240.db2.gz DVFWTJVCBHQHTB-NSHDSACASA-N 1 1 180.295 2.555 20 30 AFEDMO CCC[C@@H]1CCCC[N@H+]1CCC#N 213426627 344381292 /nfs/dbraw/zinc/38/12/92/344381292.db2.gz DVFWTJVCBHQHTB-LLVKDONJSA-N 1 1 180.295 2.555 20 30 AFEDMO C=CCCCCC[N@H+](C)CCC#N 218971810 344418711 /nfs/dbraw/zinc/41/87/11/344418711.db2.gz JMOGYUBIUDNLOG-UHFFFAOYSA-N 1 1 180.295 2.578 20 30 AFEDMO C=C(C)C[N@H+](C)C[C@@H](C)CC 220201719 344431122 /nfs/dbraw/zinc/43/11/22/344431122.db2.gz LQVWRKSGWHXKGV-JTQLQIEISA-N 1 1 155.285 2.540 20 30 AFEDMO C=C(C)C[N@H+](C)C[C@H](C)CC 220201656 344431143 /nfs/dbraw/zinc/43/11/43/344431143.db2.gz LQVWRKSGWHXKGV-SNVBAGLBSA-N 1 1 155.285 2.540 20 30 AFEDMO C=CCC[N@H+](CC)CCCC 224179426 344466922 /nfs/dbraw/zinc/46/69/22/344466922.db2.gz YEOMXOHHFXNTGH-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO N#CCCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 227166932 344523859 /nfs/dbraw/zinc/52/38/59/344523859.db2.gz PINNIIZUOSBBDK-RYUDHWBXSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CCCC[N@H+]1CCC[C@H]2CCC[C@@H]21 227166940 344524020 /nfs/dbraw/zinc/52/40/20/344524020.db2.gz PINNIIZUOSBBDK-NEPJUHHUSA-N 1 1 192.306 2.555 20 30 AFEDMO CC[N@@H+](CCCCC#N)CC1CCC1 230316702 344630984 /nfs/dbraw/zinc/63/09/84/344630984.db2.gz IKMXSZISMPGWKU-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CCC[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N 233275420 344699865 /nfs/dbraw/zinc/69/98/65/344699865.db2.gz LJKBHLXQHVNCNU-WDEREUQCSA-N 1 1 182.311 2.657 20 30 AFEDMO CCC[C@H](C)[N@@H+](CC)C[C@@H](C)C#N 233333568 344700647 /nfs/dbraw/zinc/70/06/47/344700647.db2.gz LJKBHLXQHVNCNU-QWRGUYRKSA-N 1 1 182.311 2.657 20 30 AFEDMO C=CCCCCC[N@H+](CC)CCC#N 233448946 344702019 /nfs/dbraw/zinc/70/20/19/344702019.db2.gz OXQIXAWGHSDPHD-UHFFFAOYSA-N 1 1 194.322 2.968 20 30 AFEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CC1 234270989 344716376 /nfs/dbraw/zinc/71/63/76/344716376.db2.gz IHYKQISUIGAGBF-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CCCCCC[N@H+](C)C[C@H](C)C#N 235085250 344732323 /nfs/dbraw/zinc/73/23/23/344732323.db2.gz PGRHFYKAVPMVPN-GFCCVEGCSA-N 1 1 194.322 2.824 20 30 AFEDMO C#CCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 250670340 344839272 /nfs/dbraw/zinc/83/92/72/344839272.db2.gz UIVYNNWIWJBWKW-OLZOCXBDSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 250670514 344839496 /nfs/dbraw/zinc/83/94/96/344839496.db2.gz UIVYNNWIWJBWKW-STQMWFEESA-N 1 1 191.318 2.522 20 30 AFEDMO CC(C)C[C@@H](C)[N@@H+](C)C[C@H](C)C#N 251460420 344853990 /nfs/dbraw/zinc/85/39/90/344853990.db2.gz YSDANTMJQMLIKR-GHMZBOCLSA-N 1 1 182.311 2.512 20 30 AFEDMO CC(C)C[C@H](C)[N@@H+](C)C[C@H](C)C#N 251460422 344854112 /nfs/dbraw/zinc/85/41/12/344854112.db2.gz YSDANTMJQMLIKR-MNOVXSKESA-N 1 1 182.311 2.512 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CC)C[C@H](C)C#N 252003626 344883371 /nfs/dbraw/zinc/88/33/71/344883371.db2.gz WMAUAVQKAJQFQA-GHMZBOCLSA-N 1 1 182.311 2.514 20 30 AFEDMO CC[C@H](C)C[N@@H+](CC)C[C@H](C)C#N 252003627 344883461 /nfs/dbraw/zinc/88/34/61/344883461.db2.gz WMAUAVQKAJQFQA-WDEREUQCSA-N 1 1 182.311 2.514 20 30 AFEDMO C[C@H]1CCC[N@@H+](CCCCC#N)[C@H]1C 252432411 344895926 /nfs/dbraw/zinc/89/59/26/344895926.db2.gz LCHAIZISUFGHDQ-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1[C@H](C)CCC[N@H+]1CCCCC#N 252432410 344895955 /nfs/dbraw/zinc/89/59/55/344895955.db2.gz LCHAIZISUFGHDQ-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CC[N@@H+](CCCCC#N)C[C@H]1C 252727986 344910515 /nfs/dbraw/zinc/91/05/15/344910515.db2.gz VJONJVNKNHZCNO-NWDGAFQWSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]1C[N@H+](CCCCC#N)CC[C@H]1C 252727987 344910715 /nfs/dbraw/zinc/91/07/15/344910715.db2.gz VJONJVNKNHZCNO-VXGBXAGGSA-N 1 1 194.322 2.658 20 30 AFEDMO C[N@@H+](CCC#N)CCC1CCCCC1 258905127 344946470 /nfs/dbraw/zinc/94/64/70/344946470.db2.gz LJMOKXDDZKHBIY-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO C[N@@H+](CCCC#N)CCC(C)(C)C 258887603 344946539 /nfs/dbraw/zinc/94/65/39/344946539.db2.gz IXFBNTFIAGPZID-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CCCCC[N@@H+](C)CC(C)(C)C#N 258957700 344946777 /nfs/dbraw/zinc/94/67/77/344946777.db2.gz SIGFWGHCHGNERP-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CC(C)CCC[N@@H+](C)CC(C)(C)C#N 258963494 344946820 /nfs/dbraw/zinc/94/68/20/344946820.db2.gz TXMHMECZPJBCLR-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO C[N@@H+](CCC(C)(C)C)CC1(C#N)CC1 258948831 344946843 /nfs/dbraw/zinc/94/68/43/344946843.db2.gz QOWMBUWJIALJKK-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C[N@@H+](CCC(C)(C)C)CC(C)(C)C#N 258980325 344947064 /nfs/dbraw/zinc/94/70/64/344947064.db2.gz WIOCFDFNBFIQJC-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO CC(C)CC[N@H+]1CCC[C@@H](CC#N)C1 259123236 344947548 /nfs/dbraw/zinc/94/75/48/344947548.db2.gz CHYAIHXYNFXPGQ-LBPRGKRZSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)CC[N@H+]1CCC[C@H](CC#N)C1 259123233 344947580 /nfs/dbraw/zinc/94/75/80/344947580.db2.gz CHYAIHXYNFXPGQ-GFCCVEGCSA-N 1 1 194.322 2.658 20 30 AFEDMO CCCCC[N@H+]1CCC[C@H](CC#N)C1 259262252 344947946 /nfs/dbraw/zinc/94/79/46/344947946.db2.gz NDBUPLPACNHNRI-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@H](c1ccco1)[N@@H+](C)CCCC#N 260005694 344952041 /nfs/dbraw/zinc/95/20/41/344952041.db2.gz NRLZBOICULSTQZ-SNVBAGLBSA-N 1 1 192.262 2.576 20 30 AFEDMO C[C@@H](c1ccco1)[N@@H+](C)CCCC#N 260005691 344952083 /nfs/dbraw/zinc/95/20/83/344952083.db2.gz NRLZBOICULSTQZ-JTQLQIEISA-N 1 1 192.262 2.576 20 30 AFEDMO CCC[C@H](C)[N@@H+](CC)C[C@H](C)C#N 300347546 344974911 /nfs/dbraw/zinc/97/49/11/344974911.db2.gz LJKBHLXQHVNCNU-MNOVXSKESA-N 1 1 182.311 2.657 20 30 AFEDMO CCC[C@@H](C)[N@@H+](CC)C[C@H](C)C#N 300347544 344974956 /nfs/dbraw/zinc/97/49/56/344974956.db2.gz LJKBHLXQHVNCNU-GHMZBOCLSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@H](C#N)C[N@@H+](C)CCC1CCCC1 300716672 344982601 /nfs/dbraw/zinc/98/26/01/344982601.db2.gz CWQQHLHVYQFCOF-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H](C#N)C[N@@H+](C)CCC1CCCC1 300716673 344982843 /nfs/dbraw/zinc/98/28/43/344982843.db2.gz CWQQHLHVYQFCOF-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC[N@@H+](CCC#N)CCC1CCCC1 300717461 344983208 /nfs/dbraw/zinc/98/32/08/344983208.db2.gz RCJYBPFOHAKTGN-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@H](CC#N)[N@@H+](C)CCC1CCCC1 300717832 344983281 /nfs/dbraw/zinc/98/32/81/344983281.db2.gz XYSQDGAKNFZVFM-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)CCC1CCCC1 300717833 344983390 /nfs/dbraw/zinc/98/33/90/344983390.db2.gz XYSQDGAKNFZVFM-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](C#N)C[N@@H+](C)CCCC(C)(C)C 300788474 344998424 /nfs/dbraw/zinc/99/84/24/344998424.db2.gz ZAWLPIDXCGGLCQ-NSHDSACASA-N 1 1 196.338 2.904 20 30 AFEDMO C[C@H](C#N)C[N@@H+](C)CCCC(C)(C)C 300788464 344998434 /nfs/dbraw/zinc/99/84/34/344998434.db2.gz ZAWLPIDXCGGLCQ-LLVKDONJSA-N 1 1 196.338 2.904 20 30 AFEDMO CC(C)C[C@H](C)C[N@@H+](C)CCC#N 300866011 345007016 /nfs/dbraw/zinc/00/70/16/345007016.db2.gz HBEMJNPQYVMWLI-NSHDSACASA-N 1 1 182.311 2.514 20 30 AFEDMO CC(C)C[C@@H](C)C[N@@H+](C)CCC#N 300866010 345007154 /nfs/dbraw/zinc/00/71/54/345007154.db2.gz HBEMJNPQYVMWLI-LLVKDONJSA-N 1 1 182.311 2.514 20 30 AFEDMO CC(C)C[C@H](C)C[N@@H+](C)[C@@H](C)CC#N 300941983 345016654 /nfs/dbraw/zinc/01/66/54/345016654.db2.gz OUIFILHORHPWPZ-RYUDHWBXSA-N 1 1 196.338 2.903 20 30 AFEDMO CC(C)C[C@@H](C)C[N@@H+](C)[C@H](C)CC#N 300941985 345016677 /nfs/dbraw/zinc/01/66/77/345016677.db2.gz OUIFILHORHPWPZ-VXGBXAGGSA-N 1 1 196.338 2.903 20 30 AFEDMO CC(C)C[C@@H](C)C[N@@H+](C)[C@@H](C)CC#N 300941978 345016790 /nfs/dbraw/zinc/01/67/90/345016790.db2.gz OUIFILHORHPWPZ-NEPJUHHUSA-N 1 1 196.338 2.903 20 30 AFEDMO CC(C)C[C@H](C)C[N@@H+](C)[C@H](C)CC#N 300941980 345016967 /nfs/dbraw/zinc/01/69/67/345016967.db2.gz OUIFILHORHPWPZ-NWDGAFQWSA-N 1 1 196.338 2.903 20 30 AFEDMO CC(C)C[C@H](C)C[N@@H+](C)C[C@H](C)C#N 300997529 345023403 /nfs/dbraw/zinc/02/34/03/345023403.db2.gz WOTLFCSIHPHVMO-NWDGAFQWSA-N 1 1 196.338 2.760 20 30 AFEDMO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H](C)C#N 300997533 345023487 /nfs/dbraw/zinc/02/34/87/345023487.db2.gz WOTLFCSIHPHVMO-RYUDHWBXSA-N 1 1 196.338 2.760 20 30 AFEDMO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H](C)C#N 300997525 345023740 /nfs/dbraw/zinc/02/37/40/345023740.db2.gz WOTLFCSIHPHVMO-NEPJUHHUSA-N 1 1 196.338 2.760 20 30 AFEDMO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](C)C#N 300997536 345023756 /nfs/dbraw/zinc/02/37/56/345023756.db2.gz WOTLFCSIHPHVMO-VXGBXAGGSA-N 1 1 196.338 2.760 20 30 AFEDMO C=C(CC)C[N@H+]1CCSC[C@H](C)C1 306216257 345107823 /nfs/dbraw/zinc/10/78/23/345107823.db2.gz ITNLKYAALBPXNQ-LLVKDONJSA-N 1 1 199.363 2.638 20 30 AFEDMO C=C(CC)C[N@H+]1CCSC[C@@H](C)C1 306216258 345107986 /nfs/dbraw/zinc/10/79/86/345107986.db2.gz ITNLKYAALBPXNQ-NSHDSACASA-N 1 1 199.363 2.638 20 30 AFEDMO C=C(CC)C[N@H+]1CCSC(C)(C)C1 306221573 345114187 /nfs/dbraw/zinc/11/41/87/345114187.db2.gz PQQHFBKZEISIJV-UHFFFAOYSA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(CC)C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 306222144 345114815 /nfs/dbraw/zinc/11/48/15/345114815.db2.gz QMJPMITVJFRWQB-PHIMTYICSA-N 1 1 179.307 2.540 20 30 AFEDMO C=CCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 306271333 345159063 /nfs/dbraw/zinc/15/90/63/345159063.db2.gz VOFCCBQDXHUAOO-PHIMTYICSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCC[N@H+]1[C@@H](C)CCC[C@H]1C 306279494 345165673 /nfs/dbraw/zinc/16/56/73/345165673.db2.gz YZPUGFMXOHUZQB-PHIMTYICSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CC[N@@H+]1CCC[C@@H](CC)CC1 306289546 345172110 /nfs/dbraw/zinc/17/21/10/345172110.db2.gz ODIVILJHMSVHRA-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[N@@H+]1CCC[C@H](CC)CC1 306289547 345172245 /nfs/dbraw/zinc/17/22/45/345172245.db2.gz ODIVILJHMSVHRA-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[N@H+]1CCCc2sccc2C1 306324682 345202047 /nfs/dbraw/zinc/20/20/47/345202047.db2.gz KWFRMCGGYPWSEQ-UHFFFAOYSA-N 1 1 193.315 2.682 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 306361502 345231946 /nfs/dbraw/zinc/23/19/46/345231946.db2.gz PNFSAWHRIIEMNS-LLVKDONJSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[N@@H+]1CC[C@H](C)C2(CCC2)C1 306361503 345232009 /nfs/dbraw/zinc/23/20/09/345232009.db2.gz PNFSAWHRIIEMNS-NSHDSACASA-N 1 1 179.307 2.685 20 30 AFEDMO C#CC[N@H+](C)C1CCCCCCC1 306362908 345233321 /nfs/dbraw/zinc/23/33/21/345233321.db2.gz VNDOYMXUJDTLKW-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 306418671 345275812 /nfs/dbraw/zinc/27/58/12/345275812.db2.gz VMKHOHRYGVXJJS-LLVKDONJSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@H](C)C(C)(C)C1 306418672 345276041 /nfs/dbraw/zinc/27/60/41/345276041.db2.gz VMKHOHRYGVXJJS-NSHDSACASA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+]1CCC[C@H]1C1CCCC1 306430670 345288687 /nfs/dbraw/zinc/28/86/87/345288687.db2.gz QKMBTMTVHRZJNH-LBPRGKRZSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(CC)C[N@H+]1C[C@@H]2CCCC[C@@H]21 306446204 345305739 /nfs/dbraw/zinc/30/57/39/345305739.db2.gz SEKQPUAVAGMYKS-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 306483615 345352283 /nfs/dbraw/zinc/35/22/83/345352283.db2.gz LSEFHKBNBVSJRB-NSHDSACASA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 306483614 345352303 /nfs/dbraw/zinc/35/23/03/345352303.db2.gz LSEFHKBNBVSJRB-LLVKDONJSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(Cl)C[N@H+]1CC2CCC1CC2 306491812 345364153 /nfs/dbraw/zinc/36/41/53/345364153.db2.gz MRGUXEGAZPWJQI-UHFFFAOYSA-N 1 1 185.698 2.613 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 306531872 345403464 /nfs/dbraw/zinc/40/34/64/345403464.db2.gz LDBVCTITKNSPSB-MNOVXSKESA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 306531870 345403657 /nfs/dbraw/zinc/40/36/57/345403657.db2.gz LDBVCTITKNSPSB-GHMZBOCLSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@@H+]1CC[C@H](C)C[C@@H](C)C1 306531875 345403689 /nfs/dbraw/zinc/40/36/89/345403689.db2.gz LDBVCTITKNSPSB-WDEREUQCSA-N 1 1 167.296 2.540 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@@H]1C(C)C 306544452 345418882 /nfs/dbraw/zinc/41/88/82/345418882.db2.gz VBKIFHBYCWCEPT-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@H]1C(C)C 306544453 345418895 /nfs/dbraw/zinc/41/88/95/345418895.db2.gz VBKIFHBYCWCEPT-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(CC)C[N@H+]1CC2CCC1CC2 306548886 345423534 /nfs/dbraw/zinc/42/35/34/345423534.db2.gz YBCUOYYGTVRFBS-UHFFFAOYSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CC[N@@H+]1[C@H]2CCCC[C@H]2C[C@H]1C 306570380 345446965 /nfs/dbraw/zinc/44/69/65/345446965.db2.gz MWHORFSIJSLITQ-WOPDTQHZSA-N 1 1 179.307 2.825 20 30 AFEDMO C=CC[N@@H+]1[C@H]2CCCC[C@@H]2C[C@H]1C 306570379 345447030 /nfs/dbraw/zinc/44/70/30/345447030.db2.gz MWHORFSIJSLITQ-UTUOFQBUSA-N 1 1 179.307 2.825 20 30 AFEDMO C=CC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 306570378 345447239 /nfs/dbraw/zinc/44/72/39/345447239.db2.gz MWHORFSIJSLITQ-IJLUTSLNSA-N 1 1 179.307 2.825 20 30 AFEDMO C=CC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 306570377 345447253 /nfs/dbraw/zinc/44/72/53/345447253.db2.gz MWHORFSIJSLITQ-GRYCIOLGSA-N 1 1 179.307 2.825 20 30 AFEDMO C=CC[N@H+](C)[C@H]1CCCC[C@H]1C 306574937 345451742 /nfs/dbraw/zinc/45/17/42/345451742.db2.gz SCJYEALFYBYCCE-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1CCCC[C@H]1C 306574936 345452030 /nfs/dbraw/zinc/45/20/30/345452030.db2.gz SCJYEALFYBYCCE-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C)[C@H]1CCCC[C@@H]1C 306574938 345452387 /nfs/dbraw/zinc/45/23/87/345452387.db2.gz SCJYEALFYBYCCE-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1CCCC[C@@H]1C 306574939 345452541 /nfs/dbraw/zinc/45/25/41/345452541.db2.gz SCJYEALFYBYCCE-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(Cl)C[N@H+]1C[C@H]2CCCC[C@H]2C1 306637008 345505029 /nfs/dbraw/zinc/50/50/29/345505029.db2.gz AYZSVNOTALNCMX-PHIMTYICSA-N 1 1 199.725 2.861 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H](C)C(C)(C)C1 306642198 345509999 /nfs/dbraw/zinc/50/99/99/345509999.db2.gz RZKDJSZRRQOLFV-SNVBAGLBSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@@H+]1CC[C@H](C)C(C)(C)C1 306642197 345510278 /nfs/dbraw/zinc/51/02/78/345510278.db2.gz RZKDJSZRRQOLFV-JTQLQIEISA-N 1 1 167.296 2.540 20 30 AFEDMO CC(C)C[C@H](C)[N@H+]1CCC[C@H](C#N)C1 306645607 345514822 /nfs/dbraw/zinc/51/48/22/345514822.db2.gz ASXFXRVZGAVEHY-NWDGAFQWSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](C#N)C1 306645594 345514943 /nfs/dbraw/zinc/51/49/43/345514943.db2.gz ASXFXRVZGAVEHY-NEPJUHHUSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)C[C@H](C)[N@H+]1CCC[C@@H](C#N)C1 306645620 345514959 /nfs/dbraw/zinc/51/49/59/345514959.db2.gz ASXFXRVZGAVEHY-RYUDHWBXSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)C[C@@H](C)[N@H+]1CCC[C@H](C#N)C1 306645634 345515110 /nfs/dbraw/zinc/51/51/10/345515110.db2.gz ASXFXRVZGAVEHY-VXGBXAGGSA-N 1 1 194.322 2.657 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@@H](C)[C@@H]1C 306667733 345529915 /nfs/dbraw/zinc/52/99/15/345529915.db2.gz JTRQUEUTBRPMBV-QWRGUYRKSA-N 1 1 199.363 2.778 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@H](C)[C@H]1C 306667723 345529996 /nfs/dbraw/zinc/52/99/96/345529996.db2.gz JTRQUEUTBRPMBV-GHMZBOCLSA-N 1 1 199.363 2.778 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@@H](C)[C@H]1C 306667728 345530077 /nfs/dbraw/zinc/53/00/77/345530077.db2.gz JTRQUEUTBRPMBV-MNOVXSKESA-N 1 1 199.363 2.778 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@H](C)[C@@H]1C 306667737 345530236 /nfs/dbraw/zinc/53/02/36/345530236.db2.gz JTRQUEUTBRPMBV-WDEREUQCSA-N 1 1 199.363 2.778 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@@H]2CCC[C@@H]21 306673765 345534784 /nfs/dbraw/zinc/53/47/84/345534784.db2.gz OKCBKERSDVCUHW-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@H]2CCC[C@@H]21 306673763 345534960 /nfs/dbraw/zinc/53/49/60/345534960.db2.gz OKCBKERSDVCUHW-NEPJUHHUSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@H]2CCC[C@H]21 306673766 345535029 /nfs/dbraw/zinc/53/50/29/345535029.db2.gz OKCBKERSDVCUHW-VXGBXAGGSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@@H]2CCC[C@H]21 306673764 345535082 /nfs/dbraw/zinc/53/50/82/345535082.db2.gz OKCBKERSDVCUHW-NWDGAFQWSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](C)C1 306678315 345540473 /nfs/dbraw/zinc/54/04/73/345540473.db2.gz AFKQFLXSCUCEIQ-SECBINFHSA-N 1 1 187.714 2.861 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](C)C1 306678319 345540542 /nfs/dbraw/zinc/54/05/42/345540542.db2.gz AFKQFLXSCUCEIQ-VIFPVBQESA-N 1 1 187.714 2.861 20 30 AFEDMO C=CC[N@@H+]1CCCC(C)(C)CC1 306692235 345550043 /nfs/dbraw/zinc/55/00/43/345550043.db2.gz RILRSTHFQRNFML-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(CC)C[N@H+]1[C@@H](C)CC[C@H]1C 306715358 345567506 /nfs/dbraw/zinc/56/75/06/345567506.db2.gz SFYGUFXQPJUMBY-PHIMTYICSA-N 1 1 167.296 2.825 20 30 AFEDMO CC(C)=CC[N@H+]1CCC[C@H](CC#N)C1 306791092 345616877 /nfs/dbraw/zinc/61/68/77/345616877.db2.gz ZULFBPJFWBKDMJ-GFCCVEGCSA-N 1 1 192.306 2.578 20 30 AFEDMO CC(C)=CC[N@H+]1CCC[C@@H](CC#N)C1 306791093 345616884 /nfs/dbraw/zinc/61/68/84/345616884.db2.gz ZULFBPJFWBKDMJ-LBPRGKRZSA-N 1 1 192.306 2.578 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@H]1C(C)C 306793960 345619185 /nfs/dbraw/zinc/61/91/85/345619185.db2.gz SHNQKUAGNWSXOI-NSHDSACASA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C(C)C 306793959 345619244 /nfs/dbraw/zinc/61/92/44/345619244.db2.gz SHNQKUAGNWSXOI-LLVKDONJSA-N 1 1 167.296 2.683 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@@H](CCC)C1 306887666 345683920 /nfs/dbraw/zinc/68/39/20/345683920.db2.gz USYKISFLFZDLIK-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@H](CCC)C1 306887667 345683965 /nfs/dbraw/zinc/68/39/65/345683965.db2.gz USYKISFLFZDLIK-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CC[N@@H+](C)C1CCC(C)CC1 306969192 345725231 /nfs/dbraw/zinc/72/52/31/345725231.db2.gz RSLXRHSURUGNHJ-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(CC)C1 306979042 345731226 /nfs/dbraw/zinc/73/12/26/345731226.db2.gz BKXNFJOBVXLFFA-JTQLQIEISA-N 1 1 187.714 2.861 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(CC)C1 306979043 345731333 /nfs/dbraw/zinc/73/13/33/345731333.db2.gz BKXNFJOBVXLFFA-SNVBAGLBSA-N 1 1 187.714 2.861 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@@H](CC)CC1 307046702 345776711 /nfs/dbraw/zinc/77/67/11/345776711.db2.gz YJKKWCQIPSIPET-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@H](CC)CC1 307046703 345777136 /nfs/dbraw/zinc/77/71/36/345777136.db2.gz YJKKWCQIPSIPET-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CC[N@@H+](C)CC1CCCCC1 307208098 345892159 /nfs/dbraw/zinc/89/21/59/345892159.db2.gz NSDQHFRVJNZIRX-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C=CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 307290255 345950219 /nfs/dbraw/zinc/95/02/19/345950219.db2.gz MVPUPFWLDNMORA-WDEREUQCSA-N 1 1 179.307 2.683 20 30 AFEDMO C=CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 307290250 345950268 /nfs/dbraw/zinc/95/02/68/345950268.db2.gz MVPUPFWLDNMORA-QWRGUYRKSA-N 1 1 179.307 2.683 20 30 AFEDMO C=CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 307290241 345950291 /nfs/dbraw/zinc/95/02/91/345950291.db2.gz MVPUPFWLDNMORA-GHMZBOCLSA-N 1 1 179.307 2.683 20 30 AFEDMO C=CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 307290246 345950439 /nfs/dbraw/zinc/95/04/39/345950439.db2.gz MVPUPFWLDNMORA-MNOVXSKESA-N 1 1 179.307 2.683 20 30 AFEDMO CC#CC[N@H+]1CCC[C@H]1C(C)(C)C 307317601 345967049 /nfs/dbraw/zinc/96/70/49/345967049.db2.gz OUSFRSZGQPMGJV-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@H+]1CCC[C@@H]1C(C)(C)C 307317599 345967321 /nfs/dbraw/zinc/96/73/21/345967321.db2.gz OUSFRSZGQPMGJV-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CC[N@H+]1C[C@@H](C)CCC[C@H]1C 307358225 345992791 /nfs/dbraw/zinc/99/27/91/345992791.db2.gz YGPVKXYVRWXNLY-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+]1C[C@H](C)CCC[C@H]1C 307358222 345992822 /nfs/dbraw/zinc/99/28/22/345992822.db2.gz YGPVKXYVRWXNLY-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+]1C[C@@H](C)CCC[C@@H]1C 307358224 345992978 /nfs/dbraw/zinc/99/29/78/345992978.db2.gz YGPVKXYVRWXNLY-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+]1C[C@H](C)CCC[C@@H]1C 307358223 345993023 /nfs/dbraw/zinc/99/30/23/345993023.db2.gz YGPVKXYVRWXNLY-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C#CCCC[N@H+]1CCC2(CCCC2)C1 307400281 346019074 /nfs/dbraw/zinc/01/90/74/346019074.db2.gz ZURKKLXYHFYDQE-UHFFFAOYSA-N 1 1 191.318 2.666 20 30 AFEDMO CC#CC[N@@H+](C)[C@H]1CCCC[C@H]1C 307412397 346027769 /nfs/dbraw/zinc/02/77/69/346027769.db2.gz REWXEJZKQAGUBE-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@@H+](C)[C@@H]1CCCC[C@H]1C 307412400 346027762 /nfs/dbraw/zinc/02/77/62/346027762.db2.gz REWXEJZKQAGUBE-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@@H+](C)[C@H]1CCCC[C@@H]1C 307412399 346027765 /nfs/dbraw/zinc/02/77/65/346027765.db2.gz REWXEJZKQAGUBE-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCC[N@H+]1CCC[C@H]2CCC[C@@H]21 307457642 346052049 /nfs/dbraw/zinc/05/20/49/346052049.db2.gz ZPRXQGPSVSXOGP-NEPJUHHUSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCC[N@H+]1CCC[C@H]2CCC[C@H]21 307457648 346052300 /nfs/dbraw/zinc/05/23/00/346052300.db2.gz ZPRXQGPSVSXOGP-VXGBXAGGSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCC[N@H+]1CCC[C@@H]2CCC[C@H]21 307457643 346052323 /nfs/dbraw/zinc/05/23/23/346052323.db2.gz ZPRXQGPSVSXOGP-NWDGAFQWSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 307457645 346052397 /nfs/dbraw/zinc/05/23/97/346052397.db2.gz ZPRXQGPSVSXOGP-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO CC#CC[N@H+]1CCCC(C)(C)CC1 307481948 346066872 /nfs/dbraw/zinc/06/68/72/346066872.db2.gz LNNQBIDDMOEMTN-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C=CC[N@@H+]1CCC[C@H]1C(C)(C)C 307694588 346188343 /nfs/dbraw/zinc/18/83/43/346188343.db2.gz XHQBEAYBTPETOO-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@@H+]1CCC[C@@H]1C(C)(C)C 307694589 346188385 /nfs/dbraw/zinc/18/83/85/346188385.db2.gz XHQBEAYBTPETOO-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@@H+]1CCCC[C@H]1C(C)C 307731014 346208129 /nfs/dbraw/zinc/20/81/29/346208129.db2.gz JAKHSCVYWYCEJV-NSHDSACASA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@@H+]1CCCC[C@@H]1C(C)C 307731013 346208210 /nfs/dbraw/zinc/20/82/10/346208210.db2.gz JAKHSCVYWYCEJV-LLVKDONJSA-N 1 1 167.296 2.683 20 30 AFEDMO C#CCC[N@@H+](Cc1ccccc1)C1CC1 307735352 346210620 /nfs/dbraw/zinc/21/06/20/346210620.db2.gz XKNYARVURLMPPL-UHFFFAOYSA-N 1 1 199.297 2.674 20 30 AFEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCC#N)C1 307775803 346228633 /nfs/dbraw/zinc/22/86/33/346228633.db2.gz OFVLUHAJGWMFFW-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCC#N)C1 307775797 346228641 /nfs/dbraw/zinc/22/86/41/346228641.db2.gz OFVLUHAJGWMFFW-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C=CCCC[N@H+](CC)CCC 307875703 346232167 /nfs/dbraw/zinc/23/21/67/346232167.db2.gz NPHVMUXCQMIUPG-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=CCC[N@H+](C)[C@@H](C)CCC 307933538 346237166 /nfs/dbraw/zinc/23/71/66/346237166.db2.gz WNLWIIHTJVTTQY-JTQLQIEISA-N 1 1 155.285 2.683 20 30 AFEDMO C=CCC[N@H+](C)[C@H](C)CCC 307933542 346237350 /nfs/dbraw/zinc/23/73/50/346237350.db2.gz WNLWIIHTJVTTQY-SNVBAGLBSA-N 1 1 155.285 2.683 20 30 AFEDMO C=C(C)C[N@H+](C)CCSC(C)C 307958644 346241338 /nfs/dbraw/zinc/24/13/38/346241338.db2.gz UBLFHJMBVPRVSW-UHFFFAOYSA-N 1 1 187.352 2.636 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H](CC(C)C)C1 307966158 346243246 /nfs/dbraw/zinc/24/32/46/346243246.db2.gz RGZKBRYWOPAFNB-NSHDSACASA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@@H+]1CC[C@H](CC(C)C)C1 307966157 346243346 /nfs/dbraw/zinc/24/33/46/346243346.db2.gz RGZKBRYWOPAFNB-LLVKDONJSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCCC[N@@H+]1CCC[C@H]1CC 307973757 346245393 /nfs/dbraw/zinc/24/53/93/346245393.db2.gz JBDMAGJLAFKLTJ-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCC[N@@H+]1CCC[C@@H]1CC 307973758 346245601 /nfs/dbraw/zinc/24/56/01/346245601.db2.gz JBDMAGJLAFKLTJ-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCC[N@H+](C)Cc1cccs1 307977138 346246440 /nfs/dbraw/zinc/24/64/40/346246440.db2.gz MDSYENRBSRQERM-UHFFFAOYSA-N 1 1 181.304 2.756 20 30 AFEDMO C=CCCC[N@H+](CC)CC(=C)C 307980153 346246725 /nfs/dbraw/zinc/24/67/25/346246725.db2.gz OEZARBSGXFIEPB-UHFFFAOYSA-N 1 1 167.296 2.851 20 30 AFEDMO C=CCC[N@H+](CCC)CC(C)C 307990910 346247726 /nfs/dbraw/zinc/24/77/26/346247726.db2.gz TUBKYVXJLVYPEJ-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCCC[N@H+](CCC)C1CC1 307985479 346247794 /nfs/dbraw/zinc/24/77/94/346247794.db2.gz QVTPWFAWCLWRIL-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCC[N@@H+]1C[C@@H](C)C[C@H]1CC 308018555 346250551 /nfs/dbraw/zinc/25/05/51/346250551.db2.gz RXCXAVJNXMHKOH-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@@H+]1C[C@H](C)C[C@H]1CC 308018550 346250708 /nfs/dbraw/zinc/25/07/08/346250708.db2.gz RXCXAVJNXMHKOH-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@@H+]1C[C@H](C)C[C@@H]1CC 308018552 346250751 /nfs/dbraw/zinc/25/07/51/346250751.db2.gz RXCXAVJNXMHKOH-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@@H+]1C[C@@H](C)C[C@@H]1CC 308018553 346250843 /nfs/dbraw/zinc/25/08/43/346250843.db2.gz RXCXAVJNXMHKOH-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@H+](C)[C@H](C)CC(C)C 308046314 346252053 /nfs/dbraw/zinc/25/20/53/346252053.db2.gz PPSZZMQDRXNGLW-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=CCC[N@H+](C)[C@@H](C)CC(C)C 308046319 346252061 /nfs/dbraw/zinc/25/20/61/346252061.db2.gz PPSZZMQDRXNGLW-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C=CCC[N@H+](CCCC)C1CC1 308042483 346252347 /nfs/dbraw/zinc/25/23/47/346252347.db2.gz NZDBGKXQOLQPTQ-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCC[N@@H+]1CCC(C)(C)C1 308043526 346252467 /nfs/dbraw/zinc/25/24/67/346252467.db2.gz OJNGACRIZOHTSO-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CC 308065155 346252634 /nfs/dbraw/zinc/25/26/34/346252634.db2.gz YFPSSCYIRLVHEC-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCC[N@@H+]1CCCC[C@H]1CC 308065154 346252697 /nfs/dbraw/zinc/25/26/97/346252697.db2.gz YFPSSCYIRLVHEC-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CC[N@H+](CCSC(C)C)C1CC1 308143344 346260743 /nfs/dbraw/zinc/26/07/43/346260743.db2.gz KBIUMRYEAMOXIX-UHFFFAOYSA-N 1 1 199.363 2.778 20 30 AFEDMO CCC[N@@H+](CCCC#N)CC(C)C 308146455 346261367 /nfs/dbraw/zinc/26/13/67/346261367.db2.gz OFCVTAKWUBBTII-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CC[N@@H+](CCC#N)[C@@H](C)CC(C)C 308153330 346262454 /nfs/dbraw/zinc/26/24/54/346262454.db2.gz RWZSMMXBHRGUSG-NSHDSACASA-N 1 1 182.311 2.657 20 30 AFEDMO CC[N@@H+](CCC#N)[C@H](C)CC(C)C 308153329 346262641 /nfs/dbraw/zinc/26/26/41/346262641.db2.gz RWZSMMXBHRGUSG-LLVKDONJSA-N 1 1 182.311 2.657 20 30 AFEDMO C=CCCC[N@H+](C)CC(C)(C)C 308162662 346264156 /nfs/dbraw/zinc/26/41/56/346264156.db2.gz SIRARBRYQALZCH-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCCC[N@H+](C)CC1CCC1 308172023 346266049 /nfs/dbraw/zinc/26/60/49/346266049.db2.gz XFJWOIOBUHNCFD-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCC[N@@H+]1CCC[C@H]1CSC 308189373 346267641 /nfs/dbraw/zinc/26/76/41/346267641.db2.gz MDYIEYKMUKZQCI-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@@H+]1CCC[C@@H]1CSC 308189372 346267717 /nfs/dbraw/zinc/26/77/17/346267717.db2.gz MDYIEYKMUKZQCI-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(C)C[N@H+](C)CC1(SC)CCC1 308200521 346269223 /nfs/dbraw/zinc/26/92/23/346269223.db2.gz XVQXMRRGFLQVKF-UHFFFAOYSA-N 1 1 199.363 2.780 20 30 AFEDMO CC#CC[N@H+](CC)CC(CC)CC 308244014 346274678 /nfs/dbraw/zinc/27/46/78/346274678.db2.gz UEHFPZJNXQMZJD-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO CC#CC[N@H+](CCCCC)C(C)C 308248493 346275495 /nfs/dbraw/zinc/27/54/95/346275495.db2.gz ZMDILSNPAAFGLE-UHFFFAOYSA-N 1 1 181.323 2.910 20 30 AFEDMO C=CCC[N@H+](C)[C@@H](C)c1ccco1 308252332 346276644 /nfs/dbraw/zinc/27/66/44/346276644.db2.gz IHRQIMGQSLIIPL-JTQLQIEISA-N 1 1 179.263 2.849 20 30 AFEDMO C=CCC[N@H+](C)[C@H](C)c1ccco1 308252333 346276958 /nfs/dbraw/zinc/27/69/58/346276958.db2.gz IHRQIMGQSLIIPL-SNVBAGLBSA-N 1 1 179.263 2.849 20 30 AFEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCC1 308261807 346277981 /nfs/dbraw/zinc/27/79/81/346277981.db2.gz MVLJGSFADBVKSD-GFCCVEGCSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCC[N@H+]1CCC[C@H]1C1CCC1 308261808 346278019 /nfs/dbraw/zinc/27/80/19/346278019.db2.gz MVLJGSFADBVKSD-LBPRGKRZSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CC[N@@H+](Cc1ccsc1)C1CC1 308262220 346278101 /nfs/dbraw/zinc/27/81/01/346278101.db2.gz NGAZZZBXKRZTSU-UHFFFAOYSA-N 1 1 193.315 2.899 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1CCSCC 308260385 346278172 /nfs/dbraw/zinc/27/81/72/346278172.db2.gz MCZNIJCFJMNAMS-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCC[N@H+](C)CCc1cccs1 308258507 346278189 /nfs/dbraw/zinc/27/81/89/346278189.db2.gz LERVXDFFEWRQSH-UHFFFAOYSA-N 1 1 195.331 2.799 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1CCSCC 308260388 346278322 /nfs/dbraw/zinc/27/83/22/346278322.db2.gz MCZNIJCFJMNAMS-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@H+](C)Cc1ccoc1 308262094 346278381 /nfs/dbraw/zinc/27/83/81/346278381.db2.gz NCOVNFQODKQRPS-UHFFFAOYSA-N 1 1 179.263 2.678 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(C)cc1 308272467 346279296 /nfs/dbraw/zinc/27/92/96/346279296.db2.gz SWKKKYBPYCVTPH-UHFFFAOYSA-N 1 1 175.275 2.613 20 30 AFEDMO C=CC[N@H+](C)CC1CCC(C)CC1 308270741 346279345 /nfs/dbraw/zinc/27/93/45/346279345.db2.gz RVRLHGKLAIVEIG-UHFFFAOYSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCC[N@H+](C)Cc1ccoc1C 308269012 346279577 /nfs/dbraw/zinc/27/95/77/346279577.db2.gz RBUUOVNZGCWFDX-UHFFFAOYSA-N 1 1 179.263 2.596 20 30 AFEDMO C=CCCC[N@H+](C)Cc1ccco1 308277616 346280183 /nfs/dbraw/zinc/28/01/83/346280183.db2.gz WJCIWTDEGXWKRZ-UHFFFAOYSA-N 1 1 179.263 2.678 20 30 AFEDMO C=CC[N@H+](C)Cc1cccc(Cl)c1 308278697 346280318 /nfs/dbraw/zinc/28/03/18/346280318.db2.gz WSTWWKCKVKFWLN-UHFFFAOYSA-N 1 1 195.693 2.958 20 30 AFEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CSC 308302027 346284738 /nfs/dbraw/zinc/28/47/38/346284738.db2.gz LGYJHNNAIMJANG-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CSC 308302029 346284768 /nfs/dbraw/zinc/28/47/68/346284768.db2.gz LGYJHNNAIMJANG-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@@H+]1C[C@H](C)S[C@H](C)C1 308320109 346288379 /nfs/dbraw/zinc/28/83/79/346288379.db2.gz YAGUPFBGKZBTNE-PHIMTYICSA-N 1 1 199.363 2.778 20 30 AFEDMO CC/C=C/CC[N@@H+](C)[C@@H](C)CC#N 308331272 346290312 /nfs/dbraw/zinc/29/03/12/346290312.db2.gz IVRRTXAHZCFUAD-QRGHLMKCSA-N 1 1 180.295 2.577 20 30 AFEDMO CC/C=C\CC[N@@H+](C)[C@H](C)CC#N 308331269 346290426 /nfs/dbraw/zinc/29/04/26/346290426.db2.gz IVRRTXAHZCFUAD-ISALQUGTSA-N 1 1 180.295 2.577 20 30 AFEDMO CC/C=C/CC[N@@H+](C)[C@H](C)CC#N 308331271 346290461 /nfs/dbraw/zinc/29/04/61/346290461.db2.gz IVRRTXAHZCFUAD-MVIFTORASA-N 1 1 180.295 2.577 20 30 AFEDMO CC/C=C\CC[N@@H+](C)[C@@H](C)CC#N 308331267 346290654 /nfs/dbraw/zinc/29/06/54/346290654.db2.gz IVRRTXAHZCFUAD-GZTOBOFZSA-N 1 1 180.295 2.577 20 30 AFEDMO CC/C=C/CC[N@@H+](CC)CCC#N 308378863 346294578 /nfs/dbraw/zinc/29/45/78/346294578.db2.gz UAZRHDPKPNUEEP-AATRIKPKSA-N 1 1 180.295 2.578 20 30 AFEDMO CC/C=C\CC[N@@H+](CC)CCC#N 308378872 346294657 /nfs/dbraw/zinc/29/46/57/346294657.db2.gz UAZRHDPKPNUEEP-WAYWQWQTSA-N 1 1 180.295 2.578 20 30 AFEDMO C=CCCSCCn1cc[nH+]c1C 308376801 346294689 /nfs/dbraw/zinc/29/46/89/346294689.db2.gz OGNFNYGLIMFMMI-UHFFFAOYSA-N 1 1 196.319 2.501 20 30 AFEDMO CCC[N@@H+](C)CC(C)(C)CCC#N 308390157 346296530 /nfs/dbraw/zinc/29/65/30/346296530.db2.gz ZEPGTQABQUSSDC-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CC[C@]1(C)CC[N@@H+](CCCCC#N)C1 308421491 346300889 /nfs/dbraw/zinc/30/08/89/346300889.db2.gz ONSVLSGCUMXVAC-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[C@@]1(C)CC[N@@H+](CCCCC#N)C1 308421492 346301005 /nfs/dbraw/zinc/30/10/05/346301005.db2.gz ONSVLSGCUMXVAC-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@@H]([N@@H+](C)CCCCC#N)C1(C)CC1 308427489 346301745 /nfs/dbraw/zinc/30/17/45/346301745.db2.gz UZUSOPQUZSOEIW-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]([N@@H+](C)CCCCC#N)C1(C)CC1 308427490 346302013 /nfs/dbraw/zinc/30/20/13/346302013.db2.gz UZUSOPQUZSOEIW-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)CC(C)C 308448781 346303777 /nfs/dbraw/zinc/30/37/77/346303777.db2.gz BPXZUVHUJASNOL-NEPJUHHUSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)CC(C)C 308448786 346303981 /nfs/dbraw/zinc/30/39/81/346303981.db2.gz BPXZUVHUJASNOL-VXGBXAGGSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)CC(C)C 308448783 346304097 /nfs/dbraw/zinc/30/40/97/346304097.db2.gz BPXZUVHUJASNOL-NWDGAFQWSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)CC(C)C 308448784 346304104 /nfs/dbraw/zinc/30/41/04/346304104.db2.gz BPXZUVHUJASNOL-RYUDHWBXSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCCC#N)C1 308469058 346306113 /nfs/dbraw/zinc/30/61/13/346306113.db2.gz IQIWVQCOVFQVKA-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[N@@H+](CCC#N)CCC(C)C 308476404 346306138 /nfs/dbraw/zinc/30/61/38/346306138.db2.gz LXRBIULRNUJLLH-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO CC1CCC(C[N@@H+](C)CCC#N)CC1 308528031 346311289 /nfs/dbraw/zinc/31/12/89/346311289.db2.gz PTIMGPWUJFAXNE-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC#N)C1CC1 320083537 346322376 /nfs/dbraw/zinc/32/23/76/346322376.db2.gz TZYLDMPOLMWWPC-WDEREUQCSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@@H+](CCC#N)C1CC1 320083535 346322383 /nfs/dbraw/zinc/32/23/83/346322383.db2.gz TZYLDMPOLMWWPC-QWRGUYRKSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCC#N)C1CC1 320083534 346322511 /nfs/dbraw/zinc/32/25/11/346322511.db2.gz TZYLDMPOLMWWPC-MNOVXSKESA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCC#N)C1CC1 320083533 346322852 /nfs/dbraw/zinc/32/28/52/346322852.db2.gz TZYLDMPOLMWWPC-GHMZBOCLSA-N 1 1 194.322 2.799 20 30 AFEDMO C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H](C#N)C1 334234800 346333583 /nfs/dbraw/zinc/33/35/83/346333583.db2.gz ASLCPGKRXHVTFK-QWRGUYRKSA-N 1 1 194.322 2.657 20 30 AFEDMO C[N@@H+](CC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 334234797 346333735 /nfs/dbraw/zinc/33/37/35/346333735.db2.gz ASLCPGKRXHVTFK-MNOVXSKESA-N 1 1 194.322 2.657 20 30 AFEDMO C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 334234796 346333750 /nfs/dbraw/zinc/33/37/50/346333750.db2.gz ASLCPGKRXHVTFK-GHMZBOCLSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H]1CCCCC[N@H+]1CC1(C#N)CC1 335729427 346416500 /nfs/dbraw/zinc/41/65/00/346416500.db2.gz OLBPPVJTZIHQPZ-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCCC#N)C1 336184433 346443078 /nfs/dbraw/zinc/44/30/78/346443078.db2.gz ZHWGFOFJXVYICI-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC[C@@H](C)C[N@@H+]1CCCC#N 336184431 346443230 /nfs/dbraw/zinc/44/32/30/346443230.db2.gz ZHWGFOFJXVYICI-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC[C@@H](C)[N@@H+](CCCC#N)C1 336184432 346443290 /nfs/dbraw/zinc/44/32/90/346443290.db2.gz ZHWGFOFJXVYICI-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CCCC[N@@H+]1CCC[C@@H](C)C1 379311321 346491942 /nfs/dbraw/zinc/49/19/42/346491942.db2.gz KEQBYHAMVVADQC-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[N@H+](CCC)CC(C)C 379211215 346490186 /nfs/dbraw/zinc/49/01/86/346490186.db2.gz DYEPYDMUTJBREO-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@H]1C(C)C 379311442 346491955 /nfs/dbraw/zinc/49/19/55/346491955.db2.gz MBEONDOORVYJNY-NSHDSACASA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@@H+]1CCC[C@H](C)C1 379311322 346492072 /nfs/dbraw/zinc/49/20/72/346492072.db2.gz KEQBYHAMVVADQC-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@@H]1C(C)C 379311441 346492140 /nfs/dbraw/zinc/49/21/40/346492140.db2.gz MBEONDOORVYJNY-LLVKDONJSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(CC)C[N@@H+](C)CCCSC 379313595 346493346 /nfs/dbraw/zinc/49/33/46/346493346.db2.gz IPYYBRVVKHDGGO-UHFFFAOYSA-N 1 1 187.352 2.638 20 30 AFEDMO C=CCC[N@H+](C)[C@@H](C)C(C)C 388099329 346546550 /nfs/dbraw/zinc/54/65/50/346546550.db2.gz RTTGRXBIGRQBFH-JTQLQIEISA-N 1 1 155.285 2.539 20 30 AFEDMO C=CCCC[N@@H+]1CCCC[C@@H]1C 379319792 346495000 /nfs/dbraw/zinc/49/50/00/346495000.db2.gz SJXRQWQADAVJAA-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCC[N@@H+]1CCCC[C@H]1C 379319791 346495099 /nfs/dbraw/zinc/49/50/99/346495099.db2.gz SJXRQWQADAVJAA-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CC[N@@H+]1CCC[C@@H]1CC(C)C 379318415 346495120 /nfs/dbraw/zinc/49/51/20/346495120.db2.gz KYFSMTOLAVZBNU-LLVKDONJSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@@H+]1CCC[C@H]1CC(C)C 379318416 346495149 /nfs/dbraw/zinc/49/51/49/346495149.db2.gz KYFSMTOLAVZBNU-NSHDSACASA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@H+](C(C)C)C1CC1 379318381 346495267 /nfs/dbraw/zinc/49/52/67/346495267.db2.gz KTOGWFZQMLFRLP-UHFFFAOYSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CCCC[N@H+](C)[C@@H](C)C(C)C 379320459 346495651 /nfs/dbraw/zinc/49/56/51/346495651.db2.gz WQMCLIOSFXDQFB-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C=CCCC[N@H+](C)[C@H](C)C(C)C 379320458 346495734 /nfs/dbraw/zinc/49/57/34/346495734.db2.gz WQMCLIOSFXDQFB-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=CC[N@@H+](CC1CCC1)C(C)C 379322764 346496285 /nfs/dbraw/zinc/49/62/85/346496285.db2.gz LAVSBTVQKQIFOY-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@H+](CC(C)C)C(C)C 379323604 346496293 /nfs/dbraw/zinc/49/62/93/346496293.db2.gz RJDFHYUYKZSHJR-UHFFFAOYSA-N 1 1 169.312 2.929 20 30 AFEDMO C=CCCC[N@H+](C)CCC(C)C 379323170 346496497 /nfs/dbraw/zinc/49/64/97/346496497.db2.gz OELSOVSQJWEXRM-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCC[N@H+](C)[C@H](C)CCSC 379329171 346498636 /nfs/dbraw/zinc/49/86/36/346498636.db2.gz SVVRAQNTAQUXCL-SNVBAGLBSA-N 1 1 187.352 2.636 20 30 AFEDMO C=CCC[N@H+](C)[C@@H](C)CCSC 379329170 346498740 /nfs/dbraw/zinc/49/87/40/346498740.db2.gz SVVRAQNTAQUXCL-JTQLQIEISA-N 1 1 187.352 2.636 20 30 AFEDMO C=CCCC[N@H+](CC)C1CCC1 379329587 346499526 /nfs/dbraw/zinc/49/95/26/346499526.db2.gz VJMJIPDAULEZLB-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(C)CC[N@H+](C)CCCSC 379338858 346503562 /nfs/dbraw/zinc/50/35/62/346503562.db2.gz QUZHAGBHRLOWQM-UHFFFAOYSA-N 1 1 187.352 2.638 20 30 AFEDMO C=C(CC)C[N@H+]1CCC[C@H]1CSC 379356760 346505705 /nfs/dbraw/zinc/50/57/05/346505705.db2.gz PFMNERMZSOTRRL-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(CC)C[N@H+]1CCC[C@@H]1CSC 379356759 346505785 /nfs/dbraw/zinc/50/57/85/346505785.db2.gz PFMNERMZSOTRRL-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCC[N@H+](C)CC1(SC)CCC1 379358950 346506487 /nfs/dbraw/zinc/50/64/87/346506487.db2.gz WYTRPBDIEIXHNL-UHFFFAOYSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 379369241 346508209 /nfs/dbraw/zinc/50/82/09/346508209.db2.gz PNHFOBOMDGWGFU-PHIMTYICSA-N 1 1 179.307 2.540 20 30 AFEDMO CCC(CC)[N@@H+](CC)CCCC#N 379373916 346508560 /nfs/dbraw/zinc/50/85/60/346508560.db2.gz MESZYJHPRZMUSD-UHFFFAOYSA-N 1 1 182.311 2.801 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@@H](CSC)C1 379398753 346516327 /nfs/dbraw/zinc/51/63/27/346516327.db2.gz ZDPPASXTGFGMBV-LLVKDONJSA-N 1 1 199.363 2.638 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@H](CSC)C1 379398754 346516644 /nfs/dbraw/zinc/51/66/44/346516644.db2.gz ZDPPASXTGFGMBV-NSHDSACASA-N 1 1 199.363 2.638 20 30 AFEDMO C=CCCC[N@H+]1CCC[C@H]1C1CC1 379400594 346517224 /nfs/dbraw/zinc/51/72/24/346517224.db2.gz IZIQLUSIYHSUCY-LBPRGKRZSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCCC[N@H+]1CCC[C@@H]1C1CC1 379400593 346517230 /nfs/dbraw/zinc/51/72/30/346517230.db2.gz IZIQLUSIYHSUCY-GFCCVEGCSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CC[N@@H+]1CCCC[C@@H](SCC)C1 379412378 346521608 /nfs/dbraw/zinc/52/16/08/346521608.db2.gz JZVIUFLGRWACAN-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@@H+]1CCS[C@H](C)[C@@H]1C 381848135 346530558 /nfs/dbraw/zinc/53/05/58/346530558.db2.gz IUVLZYZJZVAKSZ-WDEREUQCSA-N 1 1 199.363 2.778 20 30 AFEDMO C=CCCC[N@@H+]1CCS[C@@H](C)[C@H]1C 381848111 346530660 /nfs/dbraw/zinc/53/06/60/346530660.db2.gz IUVLZYZJZVAKSZ-MNOVXSKESA-N 1 1 199.363 2.778 20 30 AFEDMO C=CCCC[N@@H+]1CCS[C@@H](C)[C@@H]1C 381848126 346530771 /nfs/dbraw/zinc/53/07/71/346530771.db2.gz IUVLZYZJZVAKSZ-QWRGUYRKSA-N 1 1 199.363 2.778 20 30 AFEDMO C=CCCC[N@@H+]1CCS[C@H](C)[C@H]1C 381848110 346530780 /nfs/dbraw/zinc/53/07/80/346530780.db2.gz IUVLZYZJZVAKSZ-GHMZBOCLSA-N 1 1 199.363 2.778 20 30 AFEDMO CC[N@@H+](CCCCC#N)CCC1CC1 385948291 346544534 /nfs/dbraw/zinc/54/45/34/346544534.db2.gz SXVCCPNKWNICLA-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO C=CCC[N@H+](C)[C@H](C)C(C)C 388099330 346546467 /nfs/dbraw/zinc/54/64/67/346546467.db2.gz RTTGRXBIGRQBFH-SNVBAGLBSA-N 1 1 155.285 2.539 20 30 AFEDMO C=CCCC[N@H+](C)CCCC 388103138 346546733 /nfs/dbraw/zinc/54/67/33/346546733.db2.gz UYJRDBNKQQCUOI-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=CCC[N@H+](CC)CC(C)C 388106760 346546790 /nfs/dbraw/zinc/54/67/90/346546790.db2.gz XHLLULIVGIMBOL-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=CCC[N@H+](C)C(C)(C)CC 388159317 346547456 /nfs/dbraw/zinc/54/74/56/346547456.db2.gz SZDWSESNYWFKKP-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CCCC[N@H+](C)[C@@H](C)CC 388160063 346547806 /nfs/dbraw/zinc/54/78/06/346547806.db2.gz URKPZBYIIHXEGL-JTQLQIEISA-N 1 1 155.285 2.683 20 30 AFEDMO C=CCCC[N@H+](C)[C@H](C)CC 388160064 346547812 /nfs/dbraw/zinc/54/78/12/346547812.db2.gz URKPZBYIIHXEGL-SNVBAGLBSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@H](CC)C1 388253227 346548462 /nfs/dbraw/zinc/54/84/62/346548462.db2.gz XYFFGUBBXGWNOO-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@@H](CC)C1 388253226 346548512 /nfs/dbraw/zinc/54/85/12/346548512.db2.gz XYFFGUBBXGWNOO-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCC[N@@H+]1CCCC[C@@H](SC)C1 388249553 346548653 /nfs/dbraw/zinc/54/86/53/346548653.db2.gz VQMFDTLSFPCESO-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CC[N@H+](C(CC)CC)C1CC1 388381958 346551085 /nfs/dbraw/zinc/55/10/85/346551085.db2.gz RDNHGYGFMLMQRN-UHFFFAOYSA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(C)C[N@H+](CC1CC1)C(C)C 388407819 346553079 /nfs/dbraw/zinc/55/30/79/346553079.db2.gz VAVBZWZKUSCCRE-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@H+](CC)[C@H](C)C(C)C 388413429 346553464 /nfs/dbraw/zinc/55/34/64/346553464.db2.gz ZILHHNZTKWBCQR-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=CCC[N@H+](CC)[C@@H](C)C(C)C 388413430 346553472 /nfs/dbraw/zinc/55/34/72/346553472.db2.gz ZILHHNZTKWBCQR-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C=CCC[N@H+](CCC)CC1CC1 388446407 346555198 /nfs/dbraw/zinc/55/51/98/346555198.db2.gz VXCDQONVUICMOT-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCC[N@H+]1C[C@H](C)C[C@H]1C 388470994 346555700 /nfs/dbraw/zinc/55/57/00/346555700.db2.gz MMMKFCZEGGEZSG-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@H+]1C[C@@H](C)C[C@H]1C 388471001 346555724 /nfs/dbraw/zinc/55/57/24/346555724.db2.gz MMMKFCZEGGEZSG-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@H+]1C[C@@H](C)C[C@@H]1C 388470998 346555918 /nfs/dbraw/zinc/55/59/18/346555918.db2.gz MMMKFCZEGGEZSG-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@H+]1C[C@H](C)C[C@@H]1C 388470995 346555967 /nfs/dbraw/zinc/55/59/67/346555967.db2.gz MMMKFCZEGGEZSG-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@H+](C)[C@H](C)C1CC1 388479241 346556378 /nfs/dbraw/zinc/55/63/78/346556378.db2.gz SYZYZJXOLUVQLI-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@H+](C)[C@@H](C)C1CC1 388479240 346556748 /nfs/dbraw/zinc/55/67/48/346556748.db2.gz SYZYZJXOLUVQLI-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@H+](C)Cc1ccc(C)o1 388589843 346559650 /nfs/dbraw/zinc/55/96/50/346559650.db2.gz KUIQKICXFNIGPO-UHFFFAOYSA-N 1 1 179.263 2.596 20 30 AFEDMO C=CCCC[N@@H+](CCC)CC(F)F 388625625 346562022 /nfs/dbraw/zinc/56/20/22/346562022.db2.gz IXIUCLYYHJWXEH-UHFFFAOYSA-N 1 1 191.265 2.930 20 30 AFEDMO C=CCCC[N@H+](CCC)CC(F)F 388625625 346562025 /nfs/dbraw/zinc/56/20/25/346562025.db2.gz IXIUCLYYHJWXEH-UHFFFAOYSA-N 1 1 191.265 2.930 20 30 AFEDMO C=C(C)CSCCn1cc[nH+]c1C 388631916 346562112 /nfs/dbraw/zinc/56/21/12/346562112.db2.gz LFTSAJBONPOTOL-UHFFFAOYSA-N 1 1 196.319 2.501 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1CC[C@H](SCC)C1 388627523 346562317 /nfs/dbraw/zinc/56/23/17/346562317.db2.gz JOFLZPFNPFYHJH-MNOVXSKESA-N 1 1 199.363 2.778 20 30 AFEDMO C=CC[N@H+](C)[C@H]1CC[C@@H](SCC)C1 388627525 346562350 /nfs/dbraw/zinc/56/23/50/346562350.db2.gz JOFLZPFNPFYHJH-WDEREUQCSA-N 1 1 199.363 2.778 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 388627521 346562370 /nfs/dbraw/zinc/56/23/70/346562370.db2.gz JOFLZPFNPFYHJH-GHMZBOCLSA-N 1 1 199.363 2.778 20 30 AFEDMO C=CC[N@H+](C)[C@H]1CC[C@H](SCC)C1 388627524 346562424 /nfs/dbraw/zinc/56/24/24/346562424.db2.gz JOFLZPFNPFYHJH-QWRGUYRKSA-N 1 1 199.363 2.778 20 30 AFEDMO CC(C)[N@@H+](C)CC(C)(C)CCC#N 388646959 346563181 /nfs/dbraw/zinc/56/31/81/346563181.db2.gz QKQQQHBJJQINAJ-UHFFFAOYSA-N 1 1 182.311 2.657 20 30 AFEDMO C=CCCC[N@H+](C)CCC(F)(F)F 388707536 346564427 /nfs/dbraw/zinc/56/44/27/346564427.db2.gz OSIPBWVRYTWZLJ-UHFFFAOYSA-N 1 1 195.228 2.837 20 30 AFEDMO CCCC[N@@H+](CC)[C@H](C)CCC#N 388740355 346565446 /nfs/dbraw/zinc/56/54/46/346565446.db2.gz XQDAAHZOZPWOIN-LLVKDONJSA-N 1 1 182.311 2.801 20 30 AFEDMO CCCC[N@@H+](CC)[C@@H](C)CCC#N 388740356 346565564 /nfs/dbraw/zinc/56/55/64/346565564.db2.gz XQDAAHZOZPWOIN-NSHDSACASA-N 1 1 182.311 2.801 20 30 AFEDMO C=CCC[N@@H+](C1CC1)[C@H](C)C1CC1 388835889 346567790 /nfs/dbraw/zinc/56/77/90/346567790.db2.gz XKZLWKCDARXEQT-SNVBAGLBSA-N 1 1 179.307 2.825 20 30 AFEDMO C=CCC[N@@H+](C1CC1)[C@@H](C)C1CC1 388835877 346568420 /nfs/dbraw/zinc/56/84/20/346568420.db2.gz XKZLWKCDARXEQT-JTQLQIEISA-N 1 1 179.307 2.825 20 30 AFEDMO C[N@@H+](CCC1CC1)CCC(C)(C)C#N 389002519 346570179 /nfs/dbraw/zinc/57/01/79/346570179.db2.gz RLWYSHPMAGKERY-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C[N@@H+](CCC(C)(C)C#N)C(C)(C)C 394383007 346584663 /nfs/dbraw/zinc/58/46/63/346584663.db2.gz SGKDZGFZRAUXKI-UHFFFAOYSA-N 1 1 182.311 2.657 20 30 AFEDMO CC(C)C[C@H]1CCC[N@H+]1CCCC#N 396922592 346590812 /nfs/dbraw/zinc/59/08/12/346590812.db2.gz RTNZTJOKPMYTQN-GFCCVEGCSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)C[C@@H]1CCC[N@H+]1CCCC#N 396922638 346590768 /nfs/dbraw/zinc/59/07/68/346590768.db2.gz RTNZTJOKPMYTQN-LBPRGKRZSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CCC1CCC1)C[C@@H](C)C#N 398780321 346597164 /nfs/dbraw/zinc/59/71/64/346597164.db2.gz OOAWXNKCXGWBAE-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC[N@@H+](CCC1CCC1)C[C@H](C)C#N 398780319 346597409 /nfs/dbraw/zinc/59/74/09/346597409.db2.gz OOAWXNKCXGWBAE-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@H](C)[C@H]1C 399683591 346599401 /nfs/dbraw/zinc/59/94/01/346599401.db2.gz RXTDUNDEUPSFFB-GRYCIOLGSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H](C[N@H+](C)[C@H](C)CC#N)C(C)(C)C 399706240 346599433 /nfs/dbraw/zinc/59/94/33/346599433.db2.gz VXFDNRUBEYGKEL-GHMZBOCLSA-N 1 1 196.338 2.903 20 30 AFEDMO C[C@H](CC#N)[N@@H+](C)C[C@H](C)C(C)(C)C 399706243 346599548 /nfs/dbraw/zinc/59/95/48/346599548.db2.gz VXFDNRUBEYGKEL-WDEREUQCSA-N 1 1 196.338 2.903 20 30 AFEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@@H](C)[C@@H]1C 399683593 346599634 /nfs/dbraw/zinc/59/96/34/346599634.db2.gz RXTDUNDEUPSFFB-UTUOFQBUSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H](C)C(C)(C)C 399709852 346599661 /nfs/dbraw/zinc/59/96/61/346599661.db2.gz XPDSLLGQZDQWSE-GHMZBOCLSA-N 1 1 196.338 2.760 20 30 AFEDMO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)C(C)(C)C 399709854 346599740 /nfs/dbraw/zinc/59/97/40/346599740.db2.gz XPDSLLGQZDQWSE-QWRGUYRKSA-N 1 1 196.338 2.760 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@@H](C)C(C)(C)C 399706241 346599780 /nfs/dbraw/zinc/59/97/80/346599780.db2.gz VXFDNRUBEYGKEL-MNOVXSKESA-N 1 1 196.338 2.903 20 30 AFEDMO C[C@H](C#N)C[N@@H+](C)C[C@H](C)C(C)(C)C 399709853 346599814 /nfs/dbraw/zinc/59/98/14/346599814.db2.gz XPDSLLGQZDQWSE-MNOVXSKESA-N 1 1 196.338 2.760 20 30 AFEDMO C[C@H](C[N@H+](C)C[C@@H](C)C#N)C(C)(C)C 399709855 346599886 /nfs/dbraw/zinc/59/98/86/346599886.db2.gz XPDSLLGQZDQWSE-WDEREUQCSA-N 1 1 196.338 2.760 20 30 AFEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@H](C)[C@@H]1C 399683592 346599976 /nfs/dbraw/zinc/59/99/76/346599976.db2.gz RXTDUNDEUPSFFB-IJLUTSLNSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@@H](C)[C@H]1C 399683594 346600003 /nfs/dbraw/zinc/60/00/03/346600003.db2.gz RXTDUNDEUPSFFB-WOPDTQHZSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@H](C)C(C)(C)C 399706242 346600007 /nfs/dbraw/zinc/60/00/07/346600007.db2.gz VXFDNRUBEYGKEL-QWRGUYRKSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[N@H+](CC1=CCCC1)C[C@H](C)C#N 401046479 346602103 /nfs/dbraw/zinc/60/21/03/346602103.db2.gz UCPSJOJKKPCNRB-LLVKDONJSA-N 1 1 192.306 2.578 20 30 AFEDMO CC[N@H+](CC1=CCCC1)C[C@@H](C)C#N 401046488 346602352 /nfs/dbraw/zinc/60/23/52/346602352.db2.gz UCPSJOJKKPCNRB-NSHDSACASA-N 1 1 192.306 2.578 20 30 AFEDMO CC[N@@H+](CCC#N)C[C@H]1CC=CCC1 402282681 346628819 /nfs/dbraw/zinc/62/88/19/346628819.db2.gz VACWCMMMOALODO-LBPRGKRZSA-N 1 1 192.306 2.578 20 30 AFEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CC=CCC1 402309721 346628931 /nfs/dbraw/zinc/62/89/31/346628931.db2.gz ZTVOITNCUXBLIO-VXGBXAGGSA-N 1 1 192.306 2.577 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CC=CCC1 402309716 346628968 /nfs/dbraw/zinc/62/89/68/346628968.db2.gz ZTVOITNCUXBLIO-RYUDHWBXSA-N 1 1 192.306 2.577 20 30 AFEDMO CC[N@@H+](CCC#N)C[C@@H]1CC=CCC1 402282679 346629147 /nfs/dbraw/zinc/62/91/47/346629147.db2.gz VACWCMMMOALODO-GFCCVEGCSA-N 1 1 192.306 2.578 20 30 AFEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CC=CCC1 402309701 346629301 /nfs/dbraw/zinc/62/93/01/346629301.db2.gz ZTVOITNCUXBLIO-NEPJUHHUSA-N 1 1 192.306 2.577 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CC=CCC1 402309710 346629314 /nfs/dbraw/zinc/62/93/14/346629314.db2.gz ZTVOITNCUXBLIO-NWDGAFQWSA-N 1 1 192.306 2.577 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(C)cc1C 588901052 346767990 /nfs/dbraw/zinc/76/79/90/346767990.db2.gz MPMSXTCQJOEMJE-UHFFFAOYSA-N 1 1 189.302 2.921 20 30 AFEDMO CCC(CC)[N@@H+](CC)CC1(C#N)CC1 588977368 346768386 /nfs/dbraw/zinc/76/83/86/346768386.db2.gz ZINSKGGDBFFMFO-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCC[C@@H](C)[N@@H+](C)CC1(C#N)CC1 589310104 346770041 /nfs/dbraw/zinc/77/00/41/346770041.db2.gz GDOVEUNMWSQWPT-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCC[C@H](C)[N@@H+](C)CC1(C#N)CC1 589310105 346770462 /nfs/dbraw/zinc/77/04/62/346770462.db2.gz GDOVEUNMWSQWPT-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CC(C)(C)C)CC1(C#N)CC1 589752419 346772700 /nfs/dbraw/zinc/77/27/00/346772700.db2.gz AVYZZRADOUGULQ-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C=CC[N@@H+](CCC#N)CCCCCF 590001790 346774791 /nfs/dbraw/zinc/77/47/91/346774791.db2.gz VXIIZJFMNMQHCH-UHFFFAOYSA-N 1 1 198.285 2.528 20 30 AFEDMO C=CC[N@H+](CCC#N)CCCCCF 590001790 346774794 /nfs/dbraw/zinc/77/47/94/346774794.db2.gz VXIIZJFMNMQHCH-UHFFFAOYSA-N 1 1 198.285 2.528 20 30 AFEDMO C=CC[N@H+](CCC#N)CC/C=C/CC 590002935 346775272 /nfs/dbraw/zinc/77/52/72/346775272.db2.gz MUYQISMWXWATEC-AATRIKPKSA-N 1 1 192.306 2.744 20 30 AFEDMO C=CC[N@@H+](CCC#N)CC/C=C/CC 590002935 346775269 /nfs/dbraw/zinc/77/52/69/346775269.db2.gz MUYQISMWXWATEC-AATRIKPKSA-N 1 1 192.306 2.744 20 30 AFEDMO C=CC[N@@H+](CCC#N)CCCC(C)C 590002952 346775335 /nfs/dbraw/zinc/77/53/35/346775335.db2.gz RWCAOUSZWZOVNX-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO C=CC[N@H+](CCC#N)CCCC(C)C 590002952 346775337 /nfs/dbraw/zinc/77/53/37/346775337.db2.gz RWCAOUSZWZOVNX-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO C=CC[N@@H+](CCC#N)CC/C=C\CC 590002938 346775473 /nfs/dbraw/zinc/77/54/73/346775473.db2.gz MUYQISMWXWATEC-WAYWQWQTSA-N 1 1 192.306 2.744 20 30 AFEDMO C=CC[N@H+](CCC#N)CC/C=C\CC 590002938 346775474 /nfs/dbraw/zinc/77/54/74/346775474.db2.gz MUYQISMWXWATEC-WAYWQWQTSA-N 1 1 192.306 2.744 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@@H](CSC)C1 590026448 346775650 /nfs/dbraw/zinc/77/56/50/346775650.db2.gz VBMWBJIJWUXROH-LLVKDONJSA-N 1 1 199.363 2.638 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@H](CSC)C1 590026452 346775663 /nfs/dbraw/zinc/77/56/63/346775663.db2.gz VBMWBJIJWUXROH-NSHDSACASA-N 1 1 199.363 2.638 20 30 AFEDMO CC/C=C\CC[N@@H+](C)CC(C)(C)C#N 590123470 346776863 /nfs/dbraw/zinc/77/68/63/346776863.db2.gz NDZMYBAZAWEXSW-SREVYHEPSA-N 1 1 194.322 2.824 20 30 AFEDMO CC/C=C/CC[N@@H+](C)CC(C)(C)C#N 590123472 346776976 /nfs/dbraw/zinc/77/69/76/346776976.db2.gz NDZMYBAZAWEXSW-VOTSOKGWSA-N 1 1 194.322 2.824 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 590159608 346778135 /nfs/dbraw/zinc/77/81/35/346778135.db2.gz GYXBKLSHEJLQTO-SDDRHHMPSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 590159612 346778230 /nfs/dbraw/zinc/77/82/30/346778230.db2.gz GYXBKLSHEJLQTO-TUAOUCFPSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 590159610 346778579 /nfs/dbraw/zinc/77/85/79/346778579.db2.gz GYXBKLSHEJLQTO-SRVKXCTJSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 590159606 346778585 /nfs/dbraw/zinc/77/85/85/346778585.db2.gz GYXBKLSHEJLQTO-QJPTWQEYSA-N 1 1 194.322 2.657 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCC1 590598677 346783906 /nfs/dbraw/zinc/78/39/06/346783906.db2.gz MJUASWQDTHDQRP-GFCCVEGCSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)C[N@H+](CCOC)C(CC)CC 590622500 346785147 /nfs/dbraw/zinc/78/51/47/346785147.db2.gz JBMGUQYYTCVKCO-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CCCCC[N@H+](C)[C@H](C)CC#N 590700207 346787859 /nfs/dbraw/zinc/78/78/59/346787859.db2.gz KWRSTZMYNRQZSZ-LLVKDONJSA-N 1 1 180.295 2.577 20 30 AFEDMO C=CCCCC[N@H+](C)[C@@H](C)CC#N 590700208 346788030 /nfs/dbraw/zinc/78/80/30/346788030.db2.gz KWRSTZMYNRQZSZ-NSHDSACASA-N 1 1 180.295 2.577 20 30 AFEDMO C=CCCCC[N@H+](CC)CCC#N 590698243 346788189 /nfs/dbraw/zinc/78/81/89/346788189.db2.gz ZRRAXQVQKAWXMJ-UHFFFAOYSA-N 1 1 180.295 2.578 20 30 AFEDMO C=CCCCC[N@@H+](CC=C)CCC#N 590742834 346792139 /nfs/dbraw/zinc/79/21/39/346792139.db2.gz PBJXLWHYLXZWIB-UHFFFAOYSA-N 1 1 192.306 2.744 20 30 AFEDMO C=CCCCC[N@H+](CC=C)CCC#N 590742834 346792142 /nfs/dbraw/zinc/79/21/42/346792142.db2.gz PBJXLWHYLXZWIB-UHFFFAOYSA-N 1 1 192.306 2.744 20 30 AFEDMO C=CC[N@H+](CCC#N)[C@@H](C)CC(C)C 590742823 346792284 /nfs/dbraw/zinc/79/22/84/346792284.db2.gz IIWFOGZOAJULLX-LBPRGKRZSA-N 1 1 194.322 2.823 20 30 AFEDMO C=CC[N@H+](CCC#N)[C@H](C)CC(C)C 590742822 346792493 /nfs/dbraw/zinc/79/24/93/346792493.db2.gz IIWFOGZOAJULLX-GFCCVEGCSA-N 1 1 194.322 2.823 20 30 AFEDMO C=CCCCC[N@@H+]1CC[C@H](SC)C1 590750213 346792680 /nfs/dbraw/zinc/79/26/80/346792680.db2.gz LDEZQXJYIGBQNA-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCC#N 590749329 346792698 /nfs/dbraw/zinc/79/26/98/346792698.db2.gz KKDIGCPQAKGIFL-GFCCVEGCSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CCCCC[N@@H+]1CC[C@@H](SC)C1 590750212 346792772 /nfs/dbraw/zinc/79/27/72/346792772.db2.gz LDEZQXJYIGBQNA-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO CC(C)C[C@]1(C)CCC[N@H+]1CCC#N 590749330 346793168 /nfs/dbraw/zinc/79/31/68/346793168.db2.gz KKDIGCPQAKGIFL-LBPRGKRZSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC(C)(C)[N@H+]1CCCCC#N 590764421 346793918 /nfs/dbraw/zinc/79/39/18/346793918.db2.gz ONPMAKRWEWKBGF-NSHDSACASA-N 1 1 194.322 2.943 20 30 AFEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCCCC#N 590764420 346794022 /nfs/dbraw/zinc/79/40/22/346794022.db2.gz ONPMAKRWEWKBGF-LLVKDONJSA-N 1 1 194.322 2.943 20 30 AFEDMO CC(C)[C@H]1[C@H](C(C)C)C[N@H+]1CCC#N 590776689 346794315 /nfs/dbraw/zinc/79/43/15/346794315.db2.gz DSRLGOOZINTTJP-RYUDHWBXSA-N 1 1 194.322 2.512 20 30 AFEDMO CC(C)[C@H]1C[N@@H+](CCC#N)[C@@H]1C(C)C 590776690 346794359 /nfs/dbraw/zinc/79/43/59/346794359.db2.gz DSRLGOOZINTTJP-VXGBXAGGSA-N 1 1 194.322 2.512 20 30 AFEDMO CC(C)[C@@H]1C[N@@H+](CCC#N)[C@@H]1C(C)C 590776688 346794556 /nfs/dbraw/zinc/79/45/56/346794556.db2.gz DSRLGOOZINTTJP-NWDGAFQWSA-N 1 1 194.322 2.512 20 30 AFEDMO CC(C)[C@H]1C[N@@H+](CCC#N)[C@H]1C(C)C 590776687 346794585 /nfs/dbraw/zinc/79/45/85/346794585.db2.gz DSRLGOOZINTTJP-NEPJUHHUSA-N 1 1 194.322 2.512 20 30 AFEDMO C=C(C)C[N@@H+](CC)CCCOC(C)C 590818284 346795248 /nfs/dbraw/zinc/79/52/48/346795248.db2.gz LCISFGVLKARMNL-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C[C@@H](CCC#N)[N@@H+](C)CC1CCCC1 591012326 346799818 /nfs/dbraw/zinc/79/98/18/346799818.db2.gz TYAUIMKFNOFFPA-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 591011744 346799841 /nfs/dbraw/zinc/79/98/41/346799841.db2.gz AORUAFNKUXFZBL-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](CCC#N)[N@@H+](C)CC(C)(C)C 591012572 346799917 /nfs/dbraw/zinc/79/99/17/346799917.db2.gz VQVQYSKJFGPTBU-JTQLQIEISA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@H](CCC#N)[N@@H+](C)CC(C)(C)C 591012573 346799940 /nfs/dbraw/zinc/79/99/40/346799940.db2.gz VQVQYSKJFGPTBU-SNVBAGLBSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C)CC1 591011743 346799969 /nfs/dbraw/zinc/79/99/69/346799969.db2.gz AORUAFNKUXFZBL-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)CC[N@@H+](C)[C@H](C)CCC#N 591011529 346800104 /nfs/dbraw/zinc/80/01/04/346800104.db2.gz CFGHYETVIFPHQN-LLVKDONJSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@H](CCC#N)[N@@H+](C)CC1CCCC1 591012325 346800109 /nfs/dbraw/zinc/80/01/09/346800109.db2.gz TYAUIMKFNOFFPA-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 591011746 346800122 /nfs/dbraw/zinc/80/01/22/346800122.db2.gz AORUAFNKUXFZBL-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)CC[N@@H+](C)[C@@H](C)CCC#N 591011530 346800141 /nfs/dbraw/zinc/80/01/41/346800141.db2.gz CFGHYETVIFPHQN-NSHDSACASA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)[C@@H](C)C1 591022251 346800459 /nfs/dbraw/zinc/80/04/59/346800459.db2.gz KIVVMYQWQSWKAQ-WOPDTQHZSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@@]1(C)CC[N@H+]([C@H](C)CCC#N)C1 591016084 346800489 /nfs/dbraw/zinc/80/04/89/346800489.db2.gz TVEPCPLTBBICFS-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)CCC#N 591014218 346800516 /nfs/dbraw/zinc/80/05/16/346800516.db2.gz DLLSWKCSXCSLFE-MNOVXSKESA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CCC2(CCC2)C1 591016056 346800523 /nfs/dbraw/zinc/80/05/23/346800523.db2.gz LPWUIIBTQASILN-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)CCC#N)C1 591016086 346800566 /nfs/dbraw/zinc/80/05/66/346800566.db2.gz TVEPCPLTBBICFS-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@]1(C)CC[N@H+]([C@@H](C)CCC#N)C1 591016085 346800609 /nfs/dbraw/zinc/80/06/09/346800609.db2.gz TVEPCPLTBBICFS-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@]1(C)CC[N@H+]([C@H](C)CCC#N)C1 591016087 346800615 /nfs/dbraw/zinc/80/06/15/346800615.db2.gz TVEPCPLTBBICFS-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CCCC(C)(C)C1 591014331 346800682 /nfs/dbraw/zinc/80/06/82/346800682.db2.gz MSACVQRVSOPAFO-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)[C@H](C)CCC#N 591014220 346800693 /nfs/dbraw/zinc/80/06/93/346800693.db2.gz DLLSWKCSXCSLFE-WDEREUQCSA-N 1 1 182.311 2.657 20 30 AFEDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)CCC#N 591014219 346800726 /nfs/dbraw/zinc/80/07/26/346800726.db2.gz DLLSWKCSXCSLFE-QWRGUYRKSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@@H]1C[N@@H+]([C@H](C)CCC#N)CC[C@H]1C 591022249 346800734 /nfs/dbraw/zinc/80/07/34/346800734.db2.gz KIVVMYQWQSWKAQ-IJLUTSLNSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H](CCC#N)[N@H+]1CCCC(C)(C)C1 591014330 346800759 /nfs/dbraw/zinc/80/07/59/346800759.db2.gz MSACVQRVSOPAFO-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)CCC#N 591014217 346800802 /nfs/dbraw/zinc/80/08/02/346800802.db2.gz DLLSWKCSXCSLFE-GHMZBOCLSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@H](CCC#N)[N@H+]1CCC2(CCC2)C1 591016055 346800833 /nfs/dbraw/zinc/80/08/33/346800833.db2.gz LPWUIIBTQASILN-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@@H]1CC[N@H+]([C@H](C)CCC#N)C[C@@H]1C 591022248 346800849 /nfs/dbraw/zinc/80/08/49/346800849.db2.gz KIVVMYQWQSWKAQ-GRYCIOLGSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CC[C@H]1C 591022250 346800862 /nfs/dbraw/zinc/80/08/62/346800862.db2.gz KIVVMYQWQSWKAQ-UTUOFQBUSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@@H]1CCCC[N@H+]([C@H](C)CCC#N)C1 591029046 346801247 /nfs/dbraw/zinc/80/12/47/346801247.db2.gz QUVQJKKIZMBAIM-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CCCC2(CC2)C1 591028385 346801527 /nfs/dbraw/zinc/80/15/27/346801527.db2.gz RFYQKEZCSFOGGP-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@H]1CCCC[N@H+]([C@H](C)CCC#N)C1 591029043 346801616 /nfs/dbraw/zinc/80/16/16/346801616.db2.gz QUVQJKKIZMBAIM-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCCC[N@H+]([C@@H](C)CCC#N)C1 591029045 346801666 /nfs/dbraw/zinc/80/16/66/346801666.db2.gz QUVQJKKIZMBAIM-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H](CCC#N)[N@H+]1CCCC2(CC2)C1 591028384 346801702 /nfs/dbraw/zinc/80/17/02/346801702.db2.gz RFYQKEZCSFOGGP-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO CC[N@@H+](CC1CCC1)[C@@H](C)CCC#N 591033980 346802180 /nfs/dbraw/zinc/80/21/80/346802180.db2.gz UTBBMDJBTMPEKO-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CC1CCC1)[C@H](C)CCC#N 591033979 346802297 /nfs/dbraw/zinc/80/22/97/346802297.db2.gz UTBBMDJBTMPEKO-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CC1=C(C)C[N@@H+]([C@H](C)CCC#N)CC1 591034948 346802347 /nfs/dbraw/zinc/80/23/47/346802347.db2.gz VWPSZWUWABXSPQ-GFCCVEGCSA-N 1 1 192.306 2.721 20 30 AFEDMO CC1=C(C)C[N@@H+]([C@@H](C)CCC#N)CC1 591034950 346802382 /nfs/dbraw/zinc/80/23/82/346802382.db2.gz VWPSZWUWABXSPQ-LBPRGKRZSA-N 1 1 192.306 2.721 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CC(C)(C)C[C@H]1C 591052244 346802819 /nfs/dbraw/zinc/80/28/19/346802819.db2.gz WLKYOXRNAORXSJ-WDEREUQCSA-N 1 1 194.322 2.799 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CC(C)(C)C[C@@H]1C 591052243 346802879 /nfs/dbraw/zinc/80/28/79/346802879.db2.gz WLKYOXRNAORXSJ-QWRGUYRKSA-N 1 1 194.322 2.799 20 30 AFEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCCCC#N 591051584 346802980 /nfs/dbraw/zinc/80/29/80/346802980.db2.gz RIYXNJOZPXBVQW-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CC(C)(C)C[N@H+]1CCCCC#N 591051585 346802996 /nfs/dbraw/zinc/80/29/96/346802996.db2.gz RIYXNJOZPXBVQW-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CC(C)(C)C[N@@H+]1[C@H](C)CCC#N 591052242 346803009 /nfs/dbraw/zinc/80/30/09/346803009.db2.gz WLKYOXRNAORXSJ-MNOVXSKESA-N 1 1 194.322 2.799 20 30 AFEDMO C[C@H](CCC#N)[N@H+]1CC(C)(C)C[C@H]1C 591052241 346803096 /nfs/dbraw/zinc/80/30/96/346803096.db2.gz WLKYOXRNAORXSJ-GHMZBOCLSA-N 1 1 194.322 2.799 20 30 AFEDMO C[C@@H]1C[N@H+]([C@H](C)CCC#N)[C@H](C)[C@@H]1C 591377543 346813229 /nfs/dbraw/zinc/81/32/29/346813229.db2.gz IYWVLIDKJVWDGI-DDHJBXDOSA-N 1 1 194.322 2.655 20 30 AFEDMO C[C@@H]1C[N@H+]([C@H](C)CCC#N)[C@@H](C)[C@H]1C 591377546 346813291 /nfs/dbraw/zinc/81/32/91/346813291.db2.gz IYWVLIDKJVWDGI-WYUUTHIRSA-N 1 1 194.322 2.655 20 30 AFEDMO C[C@@H]1C[N@H+]([C@H](C)CCC#N)[C@H](C)[C@H]1C 591377545 346813341 /nfs/dbraw/zinc/81/33/41/346813341.db2.gz IYWVLIDKJVWDGI-WISYIIOYSA-N 1 1 194.322 2.655 20 30 AFEDMO C[C@@H]1C[N@H+]([C@H](C)CCC#N)[C@@H](C)[C@@H]1C 591377544 346813410 /nfs/dbraw/zinc/81/34/10/346813410.db2.gz IYWVLIDKJVWDGI-KKOKHZNYSA-N 1 1 194.322 2.655 20 30 AFEDMO C=CCCC[N@H+](CC)CCSC 592199675 346828383 /nfs/dbraw/zinc/82/83/83/346828383.db2.gz IPPORLNZTROLHC-UHFFFAOYSA-N 1 1 187.352 2.638 20 30 AFEDMO C=C(CC)C[N@@H+](CC)CCSC 592205033 346828796 /nfs/dbraw/zinc/82/87/96/346828796.db2.gz WRBDBDBGWLXFNY-UHFFFAOYSA-N 1 1 187.352 2.638 20 30 AFEDMO C=C(C)CC[N@@H+](CC)CCSC 592203670 346829196 /nfs/dbraw/zinc/82/91/96/346829196.db2.gz NEFFNFZELKFLLB-UHFFFAOYSA-N 1 1 187.352 2.638 20 30 AFEDMO C=CC[N@H+]1CCCc2ccccc2C1 592818860 346833968 /nfs/dbraw/zinc/83/39/68/346833968.db2.gz VZPYWEVYXZYQNT-UHFFFAOYSA-N 1 1 187.286 2.621 20 30 AFEDMO CC[N@H+](CCC#N)CCCC1CCC1 595331618 346857894 /nfs/dbraw/zinc/85/78/94/346857894.db2.gz BGOWZYOSLZWPRW-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@@H](C#N)C[N@@H+](C)CCCC1CCC1 595302978 346858103 /nfs/dbraw/zinc/85/81/03/346858103.db2.gz YUBKCMUHRKFBJD-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H](C#N)C[N@@H+](C)CCCC1CCC1 595302977 346858169 /nfs/dbraw/zinc/85/81/69/346858169.db2.gz YUBKCMUHRKFBJD-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)=CCC[N@H+](C)[C@H](C)CC#N 595345229 346858791 /nfs/dbraw/zinc/85/87/91/346858791.db2.gz REKHUQFAPYIWSS-LLVKDONJSA-N 1 1 180.295 2.577 20 30 AFEDMO C[C@H](CC#N)[N@@H+](C)CCCC1CCC1 595344942 346858928 /nfs/dbraw/zinc/85/89/28/346858928.db2.gz OXLSVNMTYJVYNC-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](CC#N)[N@@H+](C)CCCC1CCC1 595344943 346859168 /nfs/dbraw/zinc/85/91/68/346859168.db2.gz OXLSVNMTYJVYNC-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)=CCC[N@H+](C)[C@@H](C)CC#N 595345230 346859192 /nfs/dbraw/zinc/85/91/92/346859192.db2.gz REKHUQFAPYIWSS-NSHDSACASA-N 1 1 180.295 2.577 20 30 AFEDMO C=CC[N@H+](CCC#N)CCC1CCC1 595502212 346859608 /nfs/dbraw/zinc/85/96/08/346859608.db2.gz QWIOHWBENDEEAB-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO C=CC[N@@H+](CCC#N)CCC1CCC1 595502212 346859611 /nfs/dbraw/zinc/85/96/11/346859611.db2.gz QWIOHWBENDEEAB-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO N#CCCCC[N@H+]1C[C@@H]2CCCC[C@@H]21 595566125 346860457 /nfs/dbraw/zinc/86/04/57/346860457.db2.gz KOGXUIVFRNNULE-RYUDHWBXSA-N 1 1 192.306 2.555 20 30 AFEDMO C=CC[C@H]1CCC[N@H+](CCSC)C1 595659117 346861162 /nfs/dbraw/zinc/86/11/62/346861162.db2.gz KMZABCUQXSNIRN-NSHDSACASA-N 1 1 199.363 2.638 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](CCSC)C1 595659116 346861061 /nfs/dbraw/zinc/86/10/61/346861061.db2.gz KMZABCUQXSNIRN-LLVKDONJSA-N 1 1 199.363 2.638 20 30 AFEDMO C=CC[N@H+](CCCC#N)C(C)(C)C 595763164 346863333 /nfs/dbraw/zinc/86/33/33/346863333.db2.gz IWMLYUVOVBKMIO-UHFFFAOYSA-N 1 1 180.295 2.577 20 30 AFEDMO C=CC[N@H+](CCCCC#N)C(C)(C)C 595764314 346863385 /nfs/dbraw/zinc/86/33/85/346863385.db2.gz ZXFXUYLEOZICNU-UHFFFAOYSA-N 1 1 194.322 2.967 20 30 AFEDMO C=CC[N@H+](CCSC)C(C)(C)C 595763245 346863638 /nfs/dbraw/zinc/86/36/38/346863638.db2.gz LTAJJEYUIZIVHP-UHFFFAOYSA-N 1 1 187.352 2.636 20 30 AFEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CCC#N 595867050 346869856 /nfs/dbraw/zinc/86/98/56/346869856.db2.gz KAGTVYLNURFRPR-WDEREUQCSA-N 1 1 180.295 2.553 20 30 AFEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CCCC#N 595867699 346870003 /nfs/dbraw/zinc/87/00/03/346870003.db2.gz OFPWBUBXLZNEDQ-NWDGAFQWSA-N 1 1 194.322 2.943 20 30 AFEDMO CC1C[C@@H]2CC[C@H](C1)[N@H+]2CCCC#N 595858274 346870191 /nfs/dbraw/zinc/87/01/91/346870191.db2.gz VHICARZDXZNNOP-YOGCLGLASA-N 1 1 192.306 2.553 20 30 AFEDMO C=CC[N@H+](C)[C@H](C)c1cccc(O)c1 600652810 346915108 /nfs/dbraw/zinc/91/51/08/346915108.db2.gz ZNWKZDRGNUKHNK-SNVBAGLBSA-N 1 1 191.274 2.571 20 30 AFEDMO C=CC[N@H+](C)[C@@H](C)c1cccc(O)c1 600652809 346915146 /nfs/dbraw/zinc/91/51/46/346915146.db2.gz ZNWKZDRGNUKHNK-JTQLQIEISA-N 1 1 191.274 2.571 20 30 AFEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]1C 602430359 346931009 /nfs/dbraw/zinc/93/10/09/346931009.db2.gz YWTVDGZGQWKVFS-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCCC[N@@H+]1C[C@H](C)CCC#N 602430357 346931059 /nfs/dbraw/zinc/93/10/59/346931059.db2.gz YWTVDGZGQWKVFS-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[N@@H+](CC)C[C@@H](C)CCC#N 602430146 346931127 /nfs/dbraw/zinc/93/11/27/346931127.db2.gz IRKVGVBZDQLPOI-NSHDSACASA-N 1 1 182.311 2.658 20 30 AFEDMO C=C(C)C[N@@H+](CC)C[C@H](C)CCC#N 602430225 346931131 /nfs/dbraw/zinc/93/11/31/346931131.db2.gz XDHYXLXLHHHLKG-GFCCVEGCSA-N 1 1 194.322 2.824 20 30 AFEDMO CCC[N@@H+](CC)C[C@H](C)CCC#N 602430145 346931148 /nfs/dbraw/zinc/93/11/48/346931148.db2.gz IRKVGVBZDQLPOI-LLVKDONJSA-N 1 1 182.311 2.658 20 30 AFEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1C 602430358 346931236 /nfs/dbraw/zinc/93/12/36/346931236.db2.gz YWTVDGZGQWKVFS-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@@H+](CC)C[C@@H](C)CCC#N 602430226 346931250 /nfs/dbraw/zinc/93/12/50/346931250.db2.gz XDHYXLXLHHHLKG-LBPRGKRZSA-N 1 1 194.322 2.824 20 30 AFEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1C 602430360 346931295 /nfs/dbraw/zinc/93/12/95/346931295.db2.gz YWTVDGZGQWKVFS-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 602428114 346931314 /nfs/dbraw/zinc/93/13/14/346931314.db2.gz FMTZFMAWGDRJQE-NEPJUHHUSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H](C)C1CC1 602443823 346931852 /nfs/dbraw/zinc/93/18/52/346931852.db2.gz WNVBLMSHBCKNKL-WDEREUQCSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)[C@H](C)[N@H+](C)C[C@@H](C)CCC#N 602439914 346931858 /nfs/dbraw/zinc/93/18/58/346931858.db2.gz RBHLJILLIJBQAS-RYUDHWBXSA-N 1 1 196.338 2.903 20 30 AFEDMO C[C@@H](C1CC1)[N@H+](C)C[C@H](C)CCC#N 602443821 346931861 /nfs/dbraw/zinc/93/18/61/346931861.db2.gz WNVBLMSHBCKNKL-MNOVXSKESA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@@H](C)[N@@H+](C)C[C@@H](C)CCC#N 602439801 346931864 /nfs/dbraw/zinc/93/18/64/346931864.db2.gz NCIFPKCWQGHPAP-WDEREUQCSA-N 1 1 182.311 2.657 20 30 AFEDMO CC(C)[N@H+](C[C@H](C)CCC#N)C1CC1 602446005 346931883 /nfs/dbraw/zinc/93/18/83/346931883.db2.gz YWFRDBBVKAOPFO-LLVKDONJSA-N 1 1 194.322 2.799 20 30 AFEDMO C[C@H](CCC#N)C[N@@H+](C)C1CCCC1 602432211 346931889 /nfs/dbraw/zinc/93/18/89/346931889.db2.gz XQCNFUPLPIEVMH-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)C1CC1 602443820 346931900 /nfs/dbraw/zinc/93/19/00/346931900.db2.gz WNVBLMSHBCKNKL-GHMZBOCLSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H](C)[N@@H+](C)C[C@@H](C)CCC#N 602439799 346931909 /nfs/dbraw/zinc/93/19/09/346931909.db2.gz NCIFPKCWQGHPAP-QWRGUYRKSA-N 1 1 182.311 2.657 20 30 AFEDMO CC(C)[C@H](C)[N@H+](C)C[C@H](C)CCC#N 602439912 346931935 /nfs/dbraw/zinc/93/19/35/346931935.db2.gz RBHLJILLIJBQAS-NEPJUHHUSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@H](C)[N@@H+](C)C[C@H](C)CCC#N 602439798 346931962 /nfs/dbraw/zinc/93/19/62/346931962.db2.gz NCIFPKCWQGHPAP-MNOVXSKESA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@@H](CCC#N)C[N@@H+](C)C1CCCC1 602432220 346931987 /nfs/dbraw/zinc/93/19/87/346931987.db2.gz XQCNFUPLPIEVMH-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CC(C)C)C[C@@H](C)CCC#N 602441826 346932180 /nfs/dbraw/zinc/93/21/80/346932180.db2.gz XUYBWWOHCFQLKI-LBPRGKRZSA-N 1 1 196.338 2.904 20 30 AFEDMO CC(C)[C@@H](C)[N@H+](C)C[C@H](C)CCC#N 602439916 346932249 /nfs/dbraw/zinc/93/22/49/346932249.db2.gz RBHLJILLIJBQAS-VXGBXAGGSA-N 1 1 196.338 2.903 20 30 AFEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)C1CC1 602443822 346932271 /nfs/dbraw/zinc/93/22/71/346932271.db2.gz WNVBLMSHBCKNKL-QWRGUYRKSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)CCC#N 602439913 346932291 /nfs/dbraw/zinc/93/22/91/346932291.db2.gz RBHLJILLIJBQAS-NWDGAFQWSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[N@@H+](CC(C)C)C[C@H](C)CCC#N 602441825 346932304 /nfs/dbraw/zinc/93/23/04/346932304.db2.gz XUYBWWOHCFQLKI-GFCCVEGCSA-N 1 1 196.338 2.904 20 30 AFEDMO CC(C)[N@H+](C[C@@H](C)CCC#N)C1CC1 602446006 346932344 /nfs/dbraw/zinc/93/23/44/346932344.db2.gz YWFRDBBVKAOPFO-NSHDSACASA-N 1 1 194.322 2.799 20 30 AFEDMO C[C@@H](CCC#N)C[N@H+]1CCC(C)(C)C1 602468460 346932621 /nfs/dbraw/zinc/93/26/21/346932621.db2.gz OVZMYUQUNDQJCH-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H](CCC#N)C[N@H+]1CCC(C)(C)C1 602468459 346932681 /nfs/dbraw/zinc/93/26/81/346932681.db2.gz OVZMYUQUNDQJCH-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H]1CCC[N@H+]1C[C@H](C)CCC#N 602448714 346932686 /nfs/dbraw/zinc/93/26/86/346932686.db2.gz MYJKADYDDWTVMJ-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H]1CCC[N@H+]1C[C@H](C)CCC#N 602449117 346932918 /nfs/dbraw/zinc/93/29/18/346932918.db2.gz MYJKADYDDWTVMJ-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H]1CCC[N@H+]1C[C@@H](C)CCC#N 602449116 346933136 /nfs/dbraw/zinc/93/31/36/346933136.db2.gz MYJKADYDDWTVMJ-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H]1CCC[N@H+]1C[C@@H](C)CCC#N 602449115 346933193 /nfs/dbraw/zinc/93/31/93/346933193.db2.gz MYJKADYDDWTVMJ-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CC[C@@H](C)[N@H+]1C[C@H](C)CCC#N 602487059 346933492 /nfs/dbraw/zinc/93/34/92/346933492.db2.gz SPKJBFRXRLIZKN-UTUOFQBUSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 602486459 346933503 /nfs/dbraw/zinc/93/35/03/346933503.db2.gz RBMCKJXCVWOUTM-VXGBXAGGSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)C[C@H]1C 602475832 346933551 /nfs/dbraw/zinc/93/35/51/346933551.db2.gz ZRYADVZQOUQJCP-IJLUTSLNSA-N 1 1 194.322 2.657 20 30 AFEDMO CC1=CC[N@@H+](C[C@H](C)CCC#N)CC1 602475275 346933628 /nfs/dbraw/zinc/93/36/28/346933628.db2.gz SGCZHLLNHLNLAD-GFCCVEGCSA-N 1 1 192.306 2.578 20 30 AFEDMO CC[C@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 602486458 346933643 /nfs/dbraw/zinc/93/36/43/346933643.db2.gz RBMCKJXCVWOUTM-RYUDHWBXSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 602486455 346933712 /nfs/dbraw/zinc/93/37/12/346933712.db2.gz RBMCKJXCVWOUTM-NEPJUHHUSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H](CCC#N)C[N@H+]1[C@@H](C)CC[C@H]1C 602487057 346933754 /nfs/dbraw/zinc/93/37/54/346933754.db2.gz SPKJBFRXRLIZKN-SDDRHHMPSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[N@H+](CC1CC1)C[C@@H](C)CCC#N 602474599 346933777 /nfs/dbraw/zinc/93/37/77/346933777.db2.gz QAROVNOROSEGKD-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 602486456 346933815 /nfs/dbraw/zinc/93/38/15/346933815.db2.gz RBMCKJXCVWOUTM-NWDGAFQWSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H]1C[C@@H](C)[N@@H+](C[C@H](C)CCC#N)C1 602475831 346933829 /nfs/dbraw/zinc/93/38/29/346933829.db2.gz ZRYADVZQOUQJCP-GRYCIOLGSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H](C)CCC#N 602475834 346933848 /nfs/dbraw/zinc/93/38/48/346933848.db2.gz ZRYADVZQOUQJCP-UTUOFQBUSA-N 1 1 194.322 2.657 20 30 AFEDMO CC1=CC[N@@H+](C[C@@H](C)CCC#N)CC1 602475276 346933899 /nfs/dbraw/zinc/93/38/99/346933899.db2.gz SGCZHLLNHLNLAD-LBPRGKRZSA-N 1 1 192.306 2.578 20 30 AFEDMO CC[N@H+](CC1CC1)C[C@H](C)CCC#N 602474598 346933942 /nfs/dbraw/zinc/93/39/42/346933942.db2.gz QAROVNOROSEGKD-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H]1C[C@H](C)[N@@H+](C[C@H](C)CCC#N)C1 602475836 346933968 /nfs/dbraw/zinc/93/39/68/346933968.db2.gz ZRYADVZQOUQJCP-WOPDTQHZSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)[C@@H]1CC[N@@H+]1C[C@H](C)CCC#N 602506355 346934288 /nfs/dbraw/zinc/93/42/88/346934288.db2.gz OTXXWKICOCWTKN-NEPJUHHUSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)[C@H]1CC[N@@H+]1C[C@@H](C)CCC#N 602506356 346934426 /nfs/dbraw/zinc/93/44/26/346934426.db2.gz OTXXWKICOCWTKN-NWDGAFQWSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)[C@H]1CC[N@@H+]1C[C@H](C)CCC#N 602506358 346934434 /nfs/dbraw/zinc/93/44/34/346934434.db2.gz OTXXWKICOCWTKN-VXGBXAGGSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](C)CCC#N 602506357 346934597 /nfs/dbraw/zinc/93/45/97/346934597.db2.gz OTXXWKICOCWTKN-RYUDHWBXSA-N 1 1 194.322 2.657 20 30 AFEDMO C=CC[N@H+](C[C@@H](C)CCC#N)C1CC1 602614207 346937948 /nfs/dbraw/zinc/93/79/48/346937948.db2.gz MRMXHLQFKNDJAD-NSHDSACASA-N 1 1 192.306 2.577 20 30 AFEDMO C=CC[N@H+](C[C@H](C)CCC#N)C1CC1 602614206 346938064 /nfs/dbraw/zinc/93/80/64/346938064.db2.gz MRMXHLQFKNDJAD-LLVKDONJSA-N 1 1 192.306 2.577 20 30 AFEDMO CC1=CCC[N@H+](C[C@@H](C)CCC#N)C1 602647264 346938714 /nfs/dbraw/zinc/93/87/14/346938714.db2.gz YUBDLGBRAAINLD-NSHDSACASA-N 1 1 192.306 2.578 20 30 AFEDMO CC1=CCC[N@H+](C[C@H](C)CCC#N)C1 602647263 346939125 /nfs/dbraw/zinc/93/91/25/346939125.db2.gz YUBDLGBRAAINLD-LLVKDONJSA-N 1 1 192.306 2.578 20 30 AFEDMO C[C@H](CCC#N)C[N@@H+](C)C(C)(C)C 602697346 346940483 /nfs/dbraw/zinc/94/04/83/346940483.db2.gz OPHPVXYMTAORFF-SNVBAGLBSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@@H](CCC#N)C[N@@H+](C)C(C)(C)C 602697345 346941087 /nfs/dbraw/zinc/94/10/87/346941087.db2.gz OPHPVXYMTAORFF-JTQLQIEISA-N 1 1 182.311 2.657 20 30 AFEDMO C=C(C)C[N@H+](CC)CC1(CC#N)CC1 602760454 346942186 /nfs/dbraw/zinc/94/21/86/346942186.db2.gz PAYPBDDBNGSNGG-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO CC(C)[N@@H+](CC1(CC#N)CC1)C1CC1 602763693 346942376 /nfs/dbraw/zinc/94/23/76/346942376.db2.gz SBKBRPIGHMJFCT-UHFFFAOYSA-N 1 1 192.306 2.553 20 30 AFEDMO CC[N@@H+](CC1(CC#N)CC1)C1CCC1 602782715 346943913 /nfs/dbraw/zinc/94/39/13/346943913.db2.gz WADFEAUBCPYWJB-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@H]1CC[C@@H](C)[N@H+]1CC1(CC#N)CC1 602786225 346944972 /nfs/dbraw/zinc/94/49/72/346944972.db2.gz DQLYEAIYQUZNNS-PHIMTYICSA-N 1 1 192.306 2.553 20 30 AFEDMO C=C(C)C[N@H+]1CCCC(C)(C)C1 602885637 346947671 /nfs/dbraw/zinc/94/76/71/346947671.db2.gz UALBUUAIMNZQFO-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCC[N@H+](C)CC(C)C 605150203 346968527 /nfs/dbraw/zinc/96/85/27/346968527.db2.gz JIKJCACZTBELNI-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=CCCC[N@H+](C)C[C@H](C)CC 605150872 346969283 /nfs/dbraw/zinc/96/92/83/346969283.db2.gz UGJPWLGZRNQNCO-LLVKDONJSA-N 1 1 169.312 2.931 20 30 AFEDMO C[C@@H](C1CC1)[N@@H+](CCCC#N)C1CC1 603848887 346959191 /nfs/dbraw/zinc/95/91/91/346959191.db2.gz YDSMTEIAALHRPD-JTQLQIEISA-N 1 1 192.306 2.553 20 30 AFEDMO C[C@H](C1CC1)[N@@H+](CCCC#N)C1CC1 603848888 346959550 /nfs/dbraw/zinc/95/95/50/346959550.db2.gz YDSMTEIAALHRPD-SNVBAGLBSA-N 1 1 192.306 2.553 20 30 AFEDMO CCC(CC)[N@@H+](CCCC#N)C1CC1 604434802 346963395 /nfs/dbraw/zinc/96/33/95/346963395.db2.gz OIRSHWRHGKECJV-UHFFFAOYSA-N 1 1 194.322 2.943 20 30 AFEDMO CCCC[N@H+](CC#N)C1CCCCC1 604494866 346964111 /nfs/dbraw/zinc/96/41/11/346964111.db2.gz NGZXQDTWFPRNRL-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO CCCC[N@@H+](CC#N)C1CCCCC1 604494866 346964114 /nfs/dbraw/zinc/96/41/14/346964114.db2.gz NGZXQDTWFPRNRL-UHFFFAOYSA-N 1 1 194.322 2.945 20 30 AFEDMO C=CCCC[N@H+](C)C1CCCC1 605149783 346968489 /nfs/dbraw/zinc/96/84/89/346968489.db2.gz PZCRDUBPDGIRDQ-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCC[N@H+](C)CCOC(C)(C)C 605737720 346972606 /nfs/dbraw/zinc/97/26/06/346972606.db2.gz RZMFCFJTSWVULV-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CCCC[N@H+](C)CCCOC(C)C 605903310 346973561 /nfs/dbraw/zinc/97/35/61/346973561.db2.gz QMLAHLAMVZFQND-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CCC[N@H+](C)Cc1cccc(F)c1 606896527 346984745 /nfs/dbraw/zinc/98/47/45/346984745.db2.gz YGZQIBCCCZIUFI-UHFFFAOYSA-N 1 1 193.265 2.834 20 30 AFEDMO C=CCC[N@H+](C)Cc1ccc(F)cc1 606896338 346984946 /nfs/dbraw/zinc/98/49/46/346984946.db2.gz IIOYONGPULTVAA-UHFFFAOYSA-N 1 1 193.265 2.834 20 30 AFEDMO C=CCC[N@H+]1CC[C@@H](c2ccco2)C1 606897476 346985305 /nfs/dbraw/zinc/98/53/05/346985305.db2.gz LISHMIFOHZAKCF-LLVKDONJSA-N 1 1 191.274 2.645 20 30 AFEDMO C=CCC[N@H+](C)C[C@@H](C)CC 606897566 346985311 /nfs/dbraw/zinc/98/53/11/346985311.db2.gz PHPGUBCEIVHAJJ-JTQLQIEISA-N 1 1 155.285 2.540 20 30 AFEDMO C=CCC[N@H+](CCOC)C(CC)CC 606897987 346985643 /nfs/dbraw/zinc/98/56/43/346985643.db2.gz UGZWGMQKFLZTOD-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CCC[N@H+]1CC[C@H](c2ccco2)C1 606897477 346985704 /nfs/dbraw/zinc/98/57/04/346985704.db2.gz LISHMIFOHZAKCF-NSHDSACASA-N 1 1 191.274 2.645 20 30 AFEDMO C=CCC[N@H+](C)C[C@H](C)CC 606897610 346985741 /nfs/dbraw/zinc/98/57/41/346985741.db2.gz PHPGUBCEIVHAJJ-SNVBAGLBSA-N 1 1 155.285 2.540 20 30 AFEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccccc1 607723932 346991772 /nfs/dbraw/zinc/99/17/72/346991772.db2.gz OYUYSJMGKCOLQD-LBPRGKRZSA-N 1 1 187.286 2.703 20 30 AFEDMO CC#CC[N@H+]1CCC[C@@H]1c1ccccc1 607724058 346991779 /nfs/dbraw/zinc/99/17/79/346991779.db2.gz SWOIOEWJNUJLNJ-CQSZACIVSA-N 1 1 199.297 2.847 20 30 AFEDMO CC#CC[N@H+]1CCC[C@H]1c1ccccc1 607724057 346991950 /nfs/dbraw/zinc/99/19/50/346991950.db2.gz SWOIOEWJNUJLNJ-AWEZNQCLSA-N 1 1 199.297 2.847 20 30 AFEDMO CC#CC[N@@H+](C)[C@H](C)c1ccccc1 607723931 346991963 /nfs/dbraw/zinc/99/19/63/346991963.db2.gz OYUYSJMGKCOLQD-GFCCVEGCSA-N 1 1 187.286 2.703 20 30 AFEDMO CC#CC[N@H+](C)C1CCC(CC)CC1 607727598 346992561 /nfs/dbraw/zinc/99/25/61/346992561.db2.gz ZCKVVRFVUPNMDI-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@H+](C(CC)CC)C1CC1 607727286 346992674 /nfs/dbraw/zinc/99/26/74/346992674.db2.gz WUZGYJIXHHGBNA-UHFFFAOYSA-N 1 1 179.307 2.663 20 30 AFEDMO CC#CC[N@H+]1CCC[C@H]1CC(C)C 607728192 346992710 /nfs/dbraw/zinc/99/27/10/346992710.db2.gz PNEDRLGTWQVGEG-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@H+]1CCC[C@@H]1CC(C)C 607728191 346992733 /nfs/dbraw/zinc/99/27/33/346992733.db2.gz PNEDRLGTWQVGEG-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCCC1 607727395 346992963 /nfs/dbraw/zinc/99/29/63/346992963.db2.gz TVKGKMYHWYUNBX-CYBMUJFWSA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CC[N@@H+](Cc1ccco1)C(C)C 607727874 346993017 /nfs/dbraw/zinc/99/30/17/346993017.db2.gz YTVMKVMWNUVLNZ-UHFFFAOYSA-N 1 1 191.274 2.513 20 30 AFEDMO CC#CC[N@H+]1CCc2ccccc2[C@H]1C 607731030 346993361 /nfs/dbraw/zinc/99/33/61/346993361.db2.gz OUQXFUWPSLGXNR-GFCCVEGCSA-N 1 1 199.297 2.629 20 30 AFEDMO CC#CC[N@H+]1CCc2ccccc2[C@@H]1C 607731031 346993405 /nfs/dbraw/zinc/99/34/05/346993405.db2.gz OUQXFUWPSLGXNR-LBPRGKRZSA-N 1 1 199.297 2.629 20 30 AFEDMO CC#CC[N@@H+](C1CC1)[C@H](C)[C@@H](C)CC 607729588 346993537 /nfs/dbraw/zinc/99/35/37/346993537.db2.gz VCCRMWOOMJCGGI-NWDGAFQWSA-N 1 1 193.334 2.909 20 30 AFEDMO CC#CC[N@@H+](C1CC1)[C@H](C)[C@H](C)CC 607729590 346993609 /nfs/dbraw/zinc/99/36/09/346993609.db2.gz VCCRMWOOMJCGGI-VXGBXAGGSA-N 1 1 193.334 2.909 20 30 AFEDMO CC#CC[N@@H+](C1CC1)[C@@H](C)[C@H](C)CC 607729587 346993725 /nfs/dbraw/zinc/99/37/25/346993725.db2.gz VCCRMWOOMJCGGI-NEPJUHHUSA-N 1 1 193.334 2.909 20 30 AFEDMO CC#CC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CC 607729589 346993835 /nfs/dbraw/zinc/99/38/35/346993835.db2.gz VCCRMWOOMJCGGI-RYUDHWBXSA-N 1 1 193.334 2.909 20 30 AFEDMO CC#CC[N@@H+](C(C)C)C1CCCC1 607729030 346993873 /nfs/dbraw/zinc/99/38/73/346993873.db2.gz OCFONIFPZQICEZ-UHFFFAOYSA-N 1 1 179.307 2.663 20 30 AFEDMO CC#CC[N@H+]1CCCC[C@H]1C(C)C 607734959 346994340 /nfs/dbraw/zinc/99/43/40/346994340.db2.gz YPURZKOTCJNFQM-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@H+]1CCC[C@H](C(C)C)CC1 607734177 346994368 /nfs/dbraw/zinc/99/43/68/346994368.db2.gz RIGUSYPOGPTHMF-ZDUSSCGKSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CC[N@H+]1CCC[C@@H](C(C)C)CC1 607734176 346994753 /nfs/dbraw/zinc/99/47/53/346994753.db2.gz RIGUSYPOGPTHMF-CYBMUJFWSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CC[N@H+]1CCCC[C@@H]1C(C)C 607734958 346994781 /nfs/dbraw/zinc/99/47/81/346994781.db2.gz YPURZKOTCJNFQM-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@@H](C)[C@H]1C 607740685 346995295 /nfs/dbraw/zinc/99/52/95/346995295.db2.gz KPRWDLXMILISRM-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@H](C)[C@@H]1C 607740687 346995517 /nfs/dbraw/zinc/99/55/17/346995517.db2.gz KPRWDLXMILISRM-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@@H](C)[C@@H]1C 607740686 346995544 /nfs/dbraw/zinc/99/55/44/346995544.db2.gz KPRWDLXMILISRM-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@H](C)[C@H]1C 607740688 346995737 /nfs/dbraw/zinc/99/57/37/346995737.db2.gz KPRWDLXMILISRM-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1C 607747568 346996461 /nfs/dbraw/zinc/99/64/61/346996461.db2.gz PCKGUDNXXKALOC-NSHDSACASA-N 1 1 187.286 2.619 20 30 AFEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1C 607747567 346996572 /nfs/dbraw/zinc/99/65/72/346996572.db2.gz PCKGUDNXXKALOC-LLVKDONJSA-N 1 1 187.286 2.619 20 30 AFEDMO CC#CC[N@@H+](C)CC1CCC(C)CC1 607742540 346996675 /nfs/dbraw/zinc/99/66/75/346996675.db2.gz MNAKJYVARHHUSU-UHFFFAOYSA-N 1 1 193.334 2.768 20 30 AFEDMO C=C(C)C[N@@H+](CC)CCC1CC1 608491938 347002583 /nfs/dbraw/zinc/00/25/83/347002583.db2.gz RQLINZFWKRFOQE-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@@H+](CC)CC1CCC1 608491950 347002655 /nfs/dbraw/zinc/00/26/55/347002655.db2.gz XDZWRIQHSZRQNA-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO CC#CC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 608500194 347007876 /nfs/dbraw/zinc/00/78/76/347007876.db2.gz WOLADYIASCBURC-FRRDWIJNSA-N 1 1 191.318 2.663 20 30 AFEDMO CC#CC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 608500195 347007924 /nfs/dbraw/zinc/00/79/24/347007924.db2.gz WOLADYIASCBURC-JHJVBQTASA-N 1 1 191.318 2.663 20 30 AFEDMO CC#CC[N@@H+]1[C@H]2CCCC[C@H]2C[C@H]1C 608500180 347007937 /nfs/dbraw/zinc/00/79/37/347007937.db2.gz WOLADYIASCBURC-AGIUHOORSA-N 1 1 191.318 2.663 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 608499267 347007987 /nfs/dbraw/zinc/00/79/87/347007987.db2.gz UODWBVZOQWKRKP-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@@H]2CCC[C@H]21 608499266 347008125 /nfs/dbraw/zinc/00/81/25/347008125.db2.gz UODWBVZOQWKRKP-NWDGAFQWSA-N 1 1 179.307 2.827 20 30 AFEDMO CC#CC[N@@H+]1[C@H]2CCCC[C@@H]2C[C@H]1C 608500196 347008167 /nfs/dbraw/zinc/00/81/67/347008167.db2.gz WOLADYIASCBURC-UPJWGTAASA-N 1 1 191.318 2.663 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@H]2CCC[C@@H]21 608499262 347008228 /nfs/dbraw/zinc/00/82/28/347008228.db2.gz UODWBVZOQWKRKP-NEPJUHHUSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@H]2CCC[C@H]21 608499268 347008243 /nfs/dbraw/zinc/00/82/43/347008243.db2.gz UODWBVZOQWKRKP-VXGBXAGGSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCCC[N@H+](C)CCC1CC1 608501704 347008808 /nfs/dbraw/zinc/00/88/08/347008808.db2.gz MJMZRJYGSBLVNN-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@@](C)(CCC)C1 608510862 347009668 /nfs/dbraw/zinc/00/96/68/347009668.db2.gz NXXMRCLRDJTFPD-CYBMUJFWSA-N 1 1 193.334 2.912 20 30 AFEDMO C=C(C)C[N@@H+](C)CCc1cccs1 608506875 347009786 /nfs/dbraw/zinc/00/97/86/347009786.db2.gz RRBMHLTWPRPWDC-UHFFFAOYSA-N 1 1 195.331 2.799 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@](C)(CCC)C1 608510864 347009943 /nfs/dbraw/zinc/00/99/43/347009943.db2.gz NXXMRCLRDJTFPD-ZDUSSCGKSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@H](C)[C@@H]1CCC 608566581 347011414 /nfs/dbraw/zinc/01/14/14/347011414.db2.gz UGBBMRGFJFBCFB-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCC 608566579 347011584 /nfs/dbraw/zinc/01/15/84/347011584.db2.gz UGBBMRGFJFBCFB-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC 608566578 347011684 /nfs/dbraw/zinc/01/16/84/347011684.db2.gz UGBBMRGFJFBCFB-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@@H+]1CCC[C@H](C)[C@H]1CCC 608566580 347011737 /nfs/dbraw/zinc/01/17/37/347011737.db2.gz UGBBMRGFJFBCFB-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@H](C)C[C@H]1CC 608752508 347013861 /nfs/dbraw/zinc/01/38/61/347013861.db2.gz YAFNBXGHPROZED-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@@H](C)C[C@@H]1CC 608752510 347014072 /nfs/dbraw/zinc/01/40/72/347014072.db2.gz YAFNBXGHPROZED-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@H](C)C[C@@H]1CC 608752509 347014092 /nfs/dbraw/zinc/01/40/92/347014092.db2.gz YAFNBXGHPROZED-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@@H](C)C[C@H]1CC 608752511 347014132 /nfs/dbraw/zinc/01/41/32/347014132.db2.gz YAFNBXGHPROZED-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO CC(C)[N@@H+](CCCCC#N)C1CC1 608832286 347014544 /nfs/dbraw/zinc/01/45/44/347014544.db2.gz RLYMZEVCDDZDLN-UHFFFAOYSA-N 1 1 180.295 2.553 20 30 AFEDMO N#CCCC[N@H+]1CCC[C@@H]1C1CCC1 609120951 347015918 /nfs/dbraw/zinc/01/59/18/347015918.db2.gz JESVHODNTNNYSI-GFCCVEGCSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CCCC[N@H+]1CCC[C@H]1C1CCC1 609120952 347015923 /nfs/dbraw/zinc/01/59/23/347015923.db2.gz JESVHODNTNNYSI-LBPRGKRZSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CCCC[N@H+](C1CCCC1)C1CC1 609144556 347016858 /nfs/dbraw/zinc/01/68/58/347016858.db2.gz MJGQOAFSSSSHLP-UHFFFAOYSA-N 1 1 192.306 2.697 20 30 AFEDMO CC(C)[N@@H+](CCCC#N)C1CCCC1 609388474 347017402 /nfs/dbraw/zinc/01/74/02/347017402.db2.gz KYFFJSAJCKKMCD-UHFFFAOYSA-N 1 1 194.322 2.943 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)CC(C)(C)C 609487388 347018211 /nfs/dbraw/zinc/01/82/11/347018211.db2.gz ONOBEEFELRIHBF-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO CCC[N@@H+](CCC#N)CC(C)(C)C 609487619 347018470 /nfs/dbraw/zinc/01/84/70/347018470.db2.gz VCCUZVQUMWFNSR-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO C=C(C)C[N@@H+](CCC#N)CC(C)(C)C 609487601 347018493 /nfs/dbraw/zinc/01/84/93/347018493.db2.gz LQZWDXKTQUGXRG-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO CC[N@@H+](CCCCC#N)C1CCC1 610001952 347020856 /nfs/dbraw/zinc/02/08/56/347020856.db2.gz OMMWDCGEZUMTLL-UHFFFAOYSA-N 1 1 180.295 2.555 20 30 AFEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCC#N 610001971 347020722 /nfs/dbraw/zinc/02/07/22/347020722.db2.gz PYIFFTSPPFTQDE-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CCC[N@@H+](CCC#N)CC(C)(C)C 610078953 347020770 /nfs/dbraw/zinc/02/07/70/347020770.db2.gz PPXDQHQODBDGMO-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)CCSC 609895592 347020889 /nfs/dbraw/zinc/02/08/89/347020889.db2.gz UGAAIYOBIBGONB-SNVBAGLBSA-N 1 1 187.352 2.636 20 30 AFEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC#N 610001972 347020987 /nfs/dbraw/zinc/02/09/87/347020987.db2.gz PYIFFTSPPFTQDE-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)CCSC 609895591 347020995 /nfs/dbraw/zinc/02/09/95/347020995.db2.gz UGAAIYOBIBGONB-JTQLQIEISA-N 1 1 187.352 2.636 20 30 AFEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC#N 610001970 347021191 /nfs/dbraw/zinc/02/11/91/347021191.db2.gz PYIFFTSPPFTQDE-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC#N 610001973 347021287 /nfs/dbraw/zinc/02/12/87/347021287.db2.gz PYIFFTSPPFTQDE-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@H+](CC)CCSCC 610150539 347021562 /nfs/dbraw/zinc/02/15/62/347021562.db2.gz TZSDPLTZVXBWQT-UHFFFAOYSA-N 1 1 187.352 2.638 20 30 AFEDMO CC(C)C[C@H]1CCCCC[N@@H+]1CC#N 610133955 347021687 /nfs/dbraw/zinc/02/16/87/347021687.db2.gz YVNHTPVPNVILJP-GFCCVEGCSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC#N 610133955 347021689 /nfs/dbraw/zinc/02/16/89/347021689.db2.gz YVNHTPVPNVILJP-GFCCVEGCSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CC[N@@H+](CCC#N)CC1CCCC1 610079993 347021738 /nfs/dbraw/zinc/02/17/38/347021738.db2.gz VIGFVRDEVUUBNE-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO CC(C)C[C@@H]1CCCCC[N@@H+]1CC#N 610133956 347021770 /nfs/dbraw/zinc/02/17/70/347021770.db2.gz YVNHTPVPNVILJP-LBPRGKRZSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CC#N 610133956 347021773 /nfs/dbraw/zinc/02/17/73/347021773.db2.gz YVNHTPVPNVILJP-LBPRGKRZSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CCCCCC[N@H+](C)CCCC#N 610079905 347021963 /nfs/dbraw/zinc/02/19/63/347021963.db2.gz PXNFXISXDIVDOB-UHFFFAOYSA-N 1 1 194.322 2.968 20 30 AFEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC#N 610336869 347023463 /nfs/dbraw/zinc/02/34/63/347023463.db2.gz SWXMTYKJZIOQMD-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC(C)(C)CC[N@@H+](C)C[C@H](C)C#N 610368474 347023347 /nfs/dbraw/zinc/02/33/47/347023347.db2.gz ACIYKNBDRBICDG-LLVKDONJSA-N 1 1 196.338 2.904 20 30 AFEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC#N 610336868 347023432 /nfs/dbraw/zinc/02/34/32/347023432.db2.gz SWXMTYKJZIOQMD-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC(C)(C)CC[N@@H+](C)C[C@@H](C)C#N 610368475 347023555 /nfs/dbraw/zinc/02/35/55/347023555.db2.gz ACIYKNBDRBICDG-NSHDSACASA-N 1 1 196.338 2.904 20 30 AFEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCC#N 610336867 347023769 /nfs/dbraw/zinc/02/37/69/347023769.db2.gz SWXMTYKJZIOQMD-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC#N 610336870 347023911 /nfs/dbraw/zinc/02/39/11/347023911.db2.gz SWXMTYKJZIOQMD-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC#N 610370052 347024439 /nfs/dbraw/zinc/02/44/39/347024439.db2.gz MMLNZQXTSLRRSS-WOPDTQHZSA-N 1 1 192.306 2.553 20 30 AFEDMO CC[C@@]1(C)CCC[N@@H+](CCCC#N)C1 610371786 347024222 /nfs/dbraw/zinc/02/42/22/347024222.db2.gz UIVUFOTWVOLQOC-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[C@]1(C)CCC[N@@H+](CCCC#N)C1 610371785 347024229 /nfs/dbraw/zinc/02/42/29/347024229.db2.gz UIVUFOTWVOLQOC-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO C=C(C)C[N@H+](CCC#N)CCC(C)C 610392374 347024274 /nfs/dbraw/zinc/02/42/74/347024274.db2.gz LLIZGYPMNKJSGD-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO C=CC[N@H+](CCC#N)CC(CC)CC 610392363 347024318 /nfs/dbraw/zinc/02/43/18/347024318.db2.gz ONXWTNICKKFXDW-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC#N 610370050 347024469 /nfs/dbraw/zinc/02/44/69/347024469.db2.gz MMLNZQXTSLRRSS-IJLUTSLNSA-N 1 1 192.306 2.553 20 30 AFEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC#N 610370049 347024559 /nfs/dbraw/zinc/02/45/59/347024559.db2.gz MMLNZQXTSLRRSS-GRYCIOLGSA-N 1 1 192.306 2.553 20 30 AFEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC#N 610370051 347024580 /nfs/dbraw/zinc/02/45/80/347024580.db2.gz MMLNZQXTSLRRSS-UTUOFQBUSA-N 1 1 192.306 2.553 20 30 AFEDMO CCC[C@@]1(C)CCC[N@@H+](CCC#N)C1 610372012 347024696 /nfs/dbraw/zinc/02/46/96/347024696.db2.gz GIZCOXKDUWNTJJ-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO CCC[C@]1(C)CCC[N@@H+](CCC#N)C1 610372011 347024744 /nfs/dbraw/zinc/02/47/44/347024744.db2.gz GIZCOXKDUWNTJJ-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO CC(C)CC[N@@H+](CCC#N)CC1CC1 610432779 347025117 /nfs/dbraw/zinc/02/51/17/347025117.db2.gz WMPRWVWJTWLDCQ-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CCCCC[N@@H+](CCC#N)CC1CC1 610485270 347025582 /nfs/dbraw/zinc/02/55/82/347025582.db2.gz QXCPSJUSQAUYOW-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO C=CCCC[N@@H+](CCC#N)CC1CC1 610485253 347025671 /nfs/dbraw/zinc/02/56/71/347025671.db2.gz SAQXKLMALPURGC-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO CC(C)=CC[N@H+](CCC#N)CC1CC1 610485265 347026051 /nfs/dbraw/zinc/02/60/51/347026051.db2.gz LCWDPUGILVDCBW-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO CC(C)=CC[N@@H+](CCC#N)CC1CC1 610485265 347026053 /nfs/dbraw/zinc/02/60/53/347026053.db2.gz LCWDPUGILVDCBW-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO C[N@H+](CCC#N)CCCC1CCCC1 610675971 347028760 /nfs/dbraw/zinc/02/87/60/347028760.db2.gz UKJSOIRTFSORBX-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CCC#N)CC1CC1 610675706 347029089 /nfs/dbraw/zinc/02/90/89/347029089.db2.gz GAQMHSYLJHNTHX-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H](C)C[N@@H+](CCC#N)CC1CC1 610675707 347029101 /nfs/dbraw/zinc/02/91/01/347029101.db2.gz GAQMHSYLJHNTHX-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)C[C@H]1CCCC[N@H+]1CCC#N 610705844 347029122 /nfs/dbraw/zinc/02/91/22/347029122.db2.gz LICZJNAKUZYLCK-GFCCVEGCSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@H]1CCC[N@@H+](CCCC#N)C1 610710349 347029915 /nfs/dbraw/zinc/02/99/15/347029915.db2.gz SCBHYIOJHCPLNA-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO CC(C)C[C@@H]1CCC[N@@H+](CCC#N)C1 610724078 347029998 /nfs/dbraw/zinc/02/99/98/347029998.db2.gz GQOVJSOKFXEDGA-LBPRGKRZSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H]1CC[C@@H](C)[N@H+]1CCCCC#N 610710583 347030033 /nfs/dbraw/zinc/03/00/33/347030033.db2.gz LEJGAUMNNMGLJK-PHIMTYICSA-N 1 1 180.295 2.553 20 30 AFEDMO CCC[C@@H]1CCC[N@@H+](CCCC#N)C1 610710348 347030171 /nfs/dbraw/zinc/03/01/71/347030171.db2.gz SCBHYIOJHCPLNA-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO CC(C)C[C@H]1CCC[N@@H+](CCC#N)C1 610724077 347030095 /nfs/dbraw/zinc/03/00/95/347030095.db2.gz GQOVJSOKFXEDGA-GFCCVEGCSA-N 1 1 194.322 2.658 20 30 AFEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC#N 610859436 347032508 /nfs/dbraw/zinc/03/25/08/347032508.db2.gz SQXVBIFMKFKVDZ-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCCC[C@H]1CCC[N@H+]1CCC#N 610859428 347032535 /nfs/dbraw/zinc/03/25/35/347032535.db2.gz LHIUMCOYERNEOO-LBPRGKRZSA-N 1 1 194.322 2.945 20 30 AFEDMO CCCCC[C@@H]1CCC[N@H+]1CCC#N 610859424 347032550 /nfs/dbraw/zinc/03/25/50/347032550.db2.gz LHIUMCOYERNEOO-GFCCVEGCSA-N 1 1 194.322 2.945 20 30 AFEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCC#N 610859434 347032608 /nfs/dbraw/zinc/03/26/08/347032608.db2.gz SQXVBIFMKFKVDZ-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC#N 610859435 347032710 /nfs/dbraw/zinc/03/27/10/347032710.db2.gz SQXVBIFMKFKVDZ-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)CC[C@H]1CCC[N@H+]1CCC#N 610859386 347032753 /nfs/dbraw/zinc/03/27/53/347032753.db2.gz MNRGKWLUKMNCSU-GFCCVEGCSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)CC[C@@H]1CCC[N@H+]1CCC#N 610859387 347032858 /nfs/dbraw/zinc/03/28/58/347032858.db2.gz MNRGKWLUKMNCSU-LBPRGKRZSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC#N 610859433 347032944 /nfs/dbraw/zinc/03/29/44/347032944.db2.gz SQXVBIFMKFKVDZ-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](SC)C1 610990552 347033703 /nfs/dbraw/zinc/03/37/03/347033703.db2.gz XWZNCLPXQZQSSR-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(C)C[N@@H+]1CCCC[C@H](SC)C1 610990553 347033905 /nfs/dbraw/zinc/03/39/05/347033905.db2.gz XWZNCLPXQZQSSR-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(C)C[N@@H+](CC)CCC(C)(C)C#N 611191665 347035723 /nfs/dbraw/zinc/03/57/23/347035723.db2.gz NCZSBDPRAVZHSS-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO CC[N@@H+](CCC#N)[C@@H]1CCCC[C@@H]1C 611290077 347036737 /nfs/dbraw/zinc/03/67/37/347036737.db2.gz OSGAKPNBBNXFQB-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CCC#N)[C@H]1CCCC[C@@H]1C 611290078 347036988 /nfs/dbraw/zinc/03/69/88/347036988.db2.gz OSGAKPNBBNXFQB-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 611265093 347037062 /nfs/dbraw/zinc/03/70/62/347037062.db2.gz GHXKLHSNIQMGAC-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N 611271313 347037082 /nfs/dbraw/zinc/03/70/82/347037082.db2.gz OBGJUEFFPOZPEB-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 611265094 347037100 /nfs/dbraw/zinc/03/71/00/347037100.db2.gz GHXKLHSNIQMGAC-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO CC[N@@H+](CCC#N)[C@@H]1CCCC[C@H]1C 611290079 347037104 /nfs/dbraw/zinc/03/71/04/347037104.db2.gz OSGAKPNBBNXFQB-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C[N@@H+](CC(C)(C)CCC#N)C1CCC1 611272314 347037194 /nfs/dbraw/zinc/03/71/94/347037194.db2.gz WIXXFAOLMAMWDH-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[N@@H+](CCC#N)[C@H]1CCCC[C@H]1C 611290076 347037199 /nfs/dbraw/zinc/03/71/99/347037199.db2.gz OSGAKPNBBNXFQB-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1CCC[N@H+]1CC(C)(C)CCC#N 611271315 347037206 /nfs/dbraw/zinc/03/72/06/347037206.db2.gz OBGJUEFFPOZPEB-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(CC)C[N@@H+](CCC#N)CC1CC1 611347885 347037908 /nfs/dbraw/zinc/03/79/08/347037908.db2.gz MEQJHCFJDOURDA-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO CC[N@@H+](CCC(C)(C)C#N)C1CCC1 611462586 347038427 /nfs/dbraw/zinc/03/84/27/347038427.db2.gz QNBHXLHTKYAIBF-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)[N@@H+](CCC(C)(C)C#N)C1CC1 611462503 347038751 /nfs/dbraw/zinc/03/87/51/347038751.db2.gz KFKNGLXFIGPUPB-UHFFFAOYSA-N 1 1 194.322 2.799 20 30 AFEDMO C=CC[N@H+](CCC(C)(C)C#N)C1CC1 611462971 347038933 /nfs/dbraw/zinc/03/89/33/347038933.db2.gz WDVOLPFJGFGDBA-UHFFFAOYSA-N 1 1 192.306 2.577 20 30 AFEDMO C=C(C)C[N@@H+](C)CCCC(C)(C)C#N 611501115 347038952 /nfs/dbraw/zinc/03/89/52/347038952.db2.gz MMOHQCRHYAPEQX-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO CC(C)(CCC#N)C[N@@H+]1CC=CCC1 611521248 347039243 /nfs/dbraw/zinc/03/92/43/347039243.db2.gz XXTAMAHUANNKDH-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO C=C(C)C[N@H+](C)CC(C)(C)CCC#N 611521504 347039858 /nfs/dbraw/zinc/03/98/58/347039858.db2.gz MYIKEJFTWASMBB-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO CC[C@@H](C)C[N@H+]1CCC[C@](C)(C#N)C1 612159402 347045292 /nfs/dbraw/zinc/04/52/92/347045292.db2.gz ULPDEJWCGCWEQI-VXGBXAGGSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H](C)C[N@H+]1CCC[C@](C)(C#N)C1 612159399 347045347 /nfs/dbraw/zinc/04/53/47/347045347.db2.gz ULPDEJWCGCWEQI-NWDGAFQWSA-N 1 1 194.322 2.658 20 30 AFEDMO CCCCC[N@H+]1CCC[C@](C)(C#N)C1 612155659 347045352 /nfs/dbraw/zinc/04/53/52/347045352.db2.gz ZRQNHWGVEYMQLH-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[C@H](C)C[N@H+]1CCC[C@@](C)(C#N)C1 612159401 347045378 /nfs/dbraw/zinc/04/53/78/347045378.db2.gz ULPDEJWCGCWEQI-RYUDHWBXSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)CC[N@H+]1CCC[C@](C)(C#N)C1 612158153 347045403 /nfs/dbraw/zinc/04/54/03/347045403.db2.gz IAVJHDUDERRNPY-GFCCVEGCSA-N 1 1 194.322 2.658 20 30 AFEDMO CCCCC[N@H+]1CCC[C@@](C)(C#N)C1 612155660 347045425 /nfs/dbraw/zinc/04/54/25/347045425.db2.gz ZRQNHWGVEYMQLH-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO CC[C@@H](C)C[N@H+]1CCC[C@@](C)(C#N)C1 612159398 347045431 /nfs/dbraw/zinc/04/54/31/347045431.db2.gz ULPDEJWCGCWEQI-NEPJUHHUSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@]1(C#N)CCC[N@H+](C2CCCC2)C1 612164466 347046180 /nfs/dbraw/zinc/04/61/80/347046180.db2.gz CONCXGYZZRVDFV-GFCCVEGCSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@@]1(C#N)CCC[N@H+](C2CCCC2)C1 612164476 347046244 /nfs/dbraw/zinc/04/62/44/347046244.db2.gz CONCXGYZZRVDFV-LBPRGKRZSA-N 1 1 192.306 2.555 20 30 AFEDMO C=CC[N@H+](CC)CC(CC)CC 613423375 347059346 /nfs/dbraw/zinc/05/93/46/347059346.db2.gz KSCHVPVRGDABLA-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@H+](Cc1ccc(C)o1)C1CC1 613443533 347059458 /nfs/dbraw/zinc/05/94/58/347059458.db2.gz UPVUUCNXUMDHKQ-UHFFFAOYSA-N 1 1 191.274 2.738 20 30 AFEDMO N#CCCCC[N@H+]1CCCC2(CC2)C1 613751249 347063781 /nfs/dbraw/zinc/06/37/81/347063781.db2.gz YBUZLIWMEHWIMV-UHFFFAOYSA-N 1 1 192.306 2.556 20 30 AFEDMO C=C(C)CC[N@@H+](CCC#N)CC1CC1 614168949 347067718 /nfs/dbraw/zinc/06/77/18/347067718.db2.gz KUFOZHSIAHVFGG-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO C[C@@H]1CCCC[N@@H+](CCCCC#N)C1 614210033 347068350 /nfs/dbraw/zinc/06/83/50/347068350.db2.gz INGQVUOYGLQRPX-GFCCVEGCSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@H]1CCCC[N@@H+](CCCCC#N)C1 614210043 347068595 /nfs/dbraw/zinc/06/85/95/347068595.db2.gz INGQVUOYGLQRPX-LBPRGKRZSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@H](C1CCCCC1)[N@@H+](C)CCC#N 614461966 347071970 /nfs/dbraw/zinc/07/19/70/347071970.db2.gz BHBGQCCCUCRHCG-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCC#N 614461972 347071985 /nfs/dbraw/zinc/07/19/85/347071985.db2.gz BHBGQCCCUCRHCG-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 614963895 347075702 /nfs/dbraw/zinc/07/57/02/347075702.db2.gz OSWMZMQQUINZFZ-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 614963893 347075949 /nfs/dbraw/zinc/07/59/49/347075949.db2.gz OSWMZMQQUINZFZ-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 614963891 347076223 /nfs/dbraw/zinc/07/62/23/347076223.db2.gz OSWMZMQQUINZFZ-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CCC[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 614963897 347076249 /nfs/dbraw/zinc/07/62/49/347076249.db2.gz OSWMZMQQUINZFZ-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CCC[N@@H+](C)CCCC(C)(C)C#N 615635850 347081816 /nfs/dbraw/zinc/08/18/16/347081816.db2.gz KYBDHXCLDWDTTC-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO C=CCC[N@H+](C)CC(C)(C)CCC#N 615651578 347082513 /nfs/dbraw/zinc/08/25/13/347082513.db2.gz ULRSAEMTQQVIOR-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO CC[C@H]1CCC[N@H+]([C@H](C)CCC#N)C1 616015699 347089895 /nfs/dbraw/zinc/08/98/95/347089895.db2.gz IJYQONVFEWZSON-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 616015701 347089910 /nfs/dbraw/zinc/08/99/10/347089910.db2.gz IJYQONVFEWZSON-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 616015700 347089963 /nfs/dbraw/zinc/08/99/63/347089963.db2.gz IJYQONVFEWZSON-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)CCC#N)C1 616015693 347089973 /nfs/dbraw/zinc/08/99/73/347089973.db2.gz CFXCARAJWAYFAZ-TUAOUCFPSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@@H]1CCC[N@H+]([C@H](C)CCC#N)C1 616015702 347090188 /nfs/dbraw/zinc/09/01/88/347090188.db2.gz IJYQONVFEWZSON-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CC[N@H+](CC)Cc1ccccc1F 616015243 347090213 /nfs/dbraw/zinc/09/02/13/347090213.db2.gz NTYMVKUPLZFRAC-UHFFFAOYSA-N 1 1 193.265 2.834 20 30 AFEDMO C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)CCC#N)C1 616015691 347090542 /nfs/dbraw/zinc/09/05/42/347090542.db2.gz CFXCARAJWAYFAZ-GRYCIOLGSA-N 1 1 194.322 2.657 20 30 AFEDMO C=CC[N@@H+](C)CCCCC(C)(C)C#N 618307236 347188661 /nfs/dbraw/zinc/18/86/61/347188661.db2.gz VJIBEFDRVYEINW-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO CC(C)[N@@H+](CCCC#N)CC1CCC1 618327844 347188667 /nfs/dbraw/zinc/18/86/67/347188667.db2.gz JELPPEXECBGGJP-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@@H]1CC[C@H](C#N)C1 618903947 347195144 /nfs/dbraw/zinc/19/51/44/347195144.db2.gz VCHNLDUEQNGKKK-NWDGAFQWSA-N 1 1 192.306 2.577 20 30 AFEDMO CCCC[N@@H+](CC)[C@@H]1CC[C@@H](C#N)C1 618903838 347195169 /nfs/dbraw/zinc/19/51/69/347195169.db2.gz DBPIMIMFZURBCA-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@H]1CC[C@@H](C#N)C1 618903946 347195173 /nfs/dbraw/zinc/19/51/73/347195173.db2.gz VCHNLDUEQNGKKK-NEPJUHHUSA-N 1 1 192.306 2.577 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@@H]1CC[C@@H](C#N)C1 618903949 347195207 /nfs/dbraw/zinc/19/52/07/347195207.db2.gz VCHNLDUEQNGKKK-VXGBXAGGSA-N 1 1 192.306 2.577 20 30 AFEDMO CCCC[N@@H+](CC)[C@@H]1CC[C@H](C#N)C1 618903836 347195225 /nfs/dbraw/zinc/19/52/25/347195225.db2.gz DBPIMIMFZURBCA-NWDGAFQWSA-N 1 1 194.322 2.801 20 30 AFEDMO CCCC[N@@H+](CC)[C@H]1CC[C@H](C#N)C1 618903837 347195415 /nfs/dbraw/zinc/19/54/15/347195415.db2.gz DBPIMIMFZURBCA-RYUDHWBXSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@H]1CC[C@H](C#N)C1 618903948 347195437 /nfs/dbraw/zinc/19/54/37/347195437.db2.gz VCHNLDUEQNGKKK-RYUDHWBXSA-N 1 1 192.306 2.577 20 30 AFEDMO CCCC[N@@H+](CC)[C@H]1CC[C@@H](C#N)C1 618903835 347195443 /nfs/dbraw/zinc/19/54/43/347195443.db2.gz DBPIMIMFZURBCA-NEPJUHHUSA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1ccoc1C 618989681 347196041 /nfs/dbraw/zinc/19/60/41/347196041.db2.gz IJNLDXACEGWOIU-UHFFFAOYSA-N 1 1 179.263 2.596 20 30 AFEDMO CC1=C(C)C[N@@H+](CCCCC#N)CC1 619517015 347201368 /nfs/dbraw/zinc/20/13/68/347201368.db2.gz IYYSKOYWZPRROJ-UHFFFAOYSA-N 1 1 192.306 2.722 20 30 AFEDMO C=C(C)C[N@H+](CC(C)C)C(C)C 620108935 347210377 /nfs/dbraw/zinc/21/03/77/347210377.db2.gz QQXACPYDZFPFAS-UHFFFAOYSA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(C)C 620807841 347217434 /nfs/dbraw/zinc/21/74/34/347217434.db2.gz VYZPZMULGMXDMS-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(C)C 620807840 347217735 /nfs/dbraw/zinc/21/77/35/347217735.db2.gz VYZPZMULGMXDMS-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccco1 621278849 347224902 /nfs/dbraw/zinc/22/49/02/347224902.db2.gz BTOFWRKJQBUQGV-JTQLQIEISA-N 1 1 179.263 2.849 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccco1 621278850 347224950 /nfs/dbraw/zinc/22/49/50/347224950.db2.gz BTOFWRKJQBUQGV-SNVBAGLBSA-N 1 1 179.263 2.849 20 30 AFEDMO C=C(C)C[N@@H+](CC)CCOC(C)(C)C 621729946 347231082 /nfs/dbraw/zinc/23/10/82/347231082.db2.gz MATCWFXJLHEDTN-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=C(C)C[N@H+]1CCCC(F)(F)CC1 625767847 347292486 /nfs/dbraw/zinc/29/24/86/347292486.db2.gz XHFBFAAWMGVHAY-UHFFFAOYSA-N 1 1 189.249 2.684 20 30 AFEDMO C=CCCCCn1cc(C)[nH+]c1C 631012530 347373959 /nfs/dbraw/zinc/37/39/59/347373959.db2.gz LVJNVDUMLGVJNS-UHFFFAOYSA-N 1 1 178.279 2.856 20 30 AFEDMO C=C(C)C[N@H+](CC)Cc1ccns1 637838545 347465745 /nfs/dbraw/zinc/46/57/45/347465745.db2.gz ZQTKNAQBNKSPAD-UHFFFAOYSA-N 1 1 196.319 2.541 20 30 AFEDMO C=C(C)C[N@H+](CC)C[C@@](C)(CC)OC 637837823 347465790 /nfs/dbraw/zinc/46/57/90/347465790.db2.gz LTHVCTWTYJUDOG-GFCCVEGCSA-N 1 1 199.338 2.700 20 30 AFEDMO C=C(C)C[N@H+](CC)C[C@](C)(CC)OC 637837824 347465867 /nfs/dbraw/zinc/46/58/67/347465867.db2.gz LTHVCTWTYJUDOG-LBPRGKRZSA-N 1 1 199.338 2.700 20 30 AFEDMO C=C(C)C[N@H+](CC)C[C@@H](CCC)OC 637838258 347465905 /nfs/dbraw/zinc/46/59/05/347465905.db2.gz TWFOLKJLYABHBL-GFCCVEGCSA-N 1 1 199.338 2.700 20 30 AFEDMO C=C(C)C[N@H+](CC)C[C@H](CCC)OC 637838259 347466020 /nfs/dbraw/zinc/46/60/20/347466020.db2.gz TWFOLKJLYABHBL-LBPRGKRZSA-N 1 1 199.338 2.700 20 30 AFEDMO C=C(C)C[N@@H+](C)CC1CCSCC1 638910971 347496030 /nfs/dbraw/zinc/49/60/30/347496030.db2.gz XADZIVARVFBNAX-UHFFFAOYSA-N 1 1 199.363 2.638 20 30 AFEDMO C=CCC[N@H+](C)C[C@@H](OC)[C@@H](C)CC 639090769 347500501 /nfs/dbraw/zinc/50/05/01/347500501.db2.gz KPXPVKGAZUKSNW-NWDGAFQWSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CCC[N@H+](C)C[C@H](OC)[C@@H](C)CC 639090771 347500549 /nfs/dbraw/zinc/50/05/49/347500549.db2.gz KPXPVKGAZUKSNW-RYUDHWBXSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[N@@H+](C)Cc1ccc(C)cc1F 639067916 347500568 /nfs/dbraw/zinc/50/05/68/347500568.db2.gz OKMSQPTZXLUCLW-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(C)cc1F 639067916 347500570 /nfs/dbraw/zinc/50/05/70/347500570.db2.gz OKMSQPTZXLUCLW-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CCC[N@H+](C)C[C@H](OC)[C@H](C)CC 639090768 347500906 /nfs/dbraw/zinc/50/09/06/347500906.db2.gz KPXPVKGAZUKSNW-NEPJUHHUSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CCC[N@H+](C)C[C@@H](OC)[C@H](C)CC 639090772 347500980 /nfs/dbraw/zinc/50/09/80/347500980.db2.gz KPXPVKGAZUKSNW-VXGBXAGGSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CCC[N@H+](C)CC1CCSCC1 639092451 347501595 /nfs/dbraw/zinc/50/15/95/347501595.db2.gz ZQNMCNSZWBSRAL-UHFFFAOYSA-N 1 1 199.363 2.638 20 30 AFEDMO C=CC[N@H+]1CC(C)(C)[C@H]1c1ccco1 639925864 347540309 /nfs/dbraw/zinc/54/03/09/347540309.db2.gz PZNPYUCTXGIEIA-LLVKDONJSA-N 1 1 191.274 2.849 20 30 AFEDMO C=CC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 639925864 347540311 /nfs/dbraw/zinc/54/03/11/347540311.db2.gz PZNPYUCTXGIEIA-LLVKDONJSA-N 1 1 191.274 2.849 20 30 AFEDMO C=CC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 639925865 347540327 /nfs/dbraw/zinc/54/03/27/347540327.db2.gz PZNPYUCTXGIEIA-NSHDSACASA-N 1 1 191.274 2.849 20 30 AFEDMO C=CC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 639925865 347540329 /nfs/dbraw/zinc/54/03/29/347540329.db2.gz PZNPYUCTXGIEIA-NSHDSACASA-N 1 1 191.274 2.849 20 30 AFEDMO C=CC[N@@H+](Cc1ccccc1)C1CC1 641864721 347585963 /nfs/dbraw/zinc/58/59/63/347585963.db2.gz OGRCLJRVYAFJQT-UHFFFAOYSA-N 1 1 187.286 2.837 20 30 AFEDMO C=CC[N@@H+](C)Cc1ccc(F)cc1F 641855241 347586126 /nfs/dbraw/zinc/58/61/26/347586126.db2.gz NXUHWJDOBIKJKW-UHFFFAOYSA-N 1 1 197.228 2.583 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(F)cc1F 641855241 347586128 /nfs/dbraw/zinc/58/61/28/347586128.db2.gz NXUHWJDOBIKJKW-UHFFFAOYSA-N 1 1 197.228 2.583 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)CC(C)C 642103396 347589468 /nfs/dbraw/zinc/58/94/68/347589468.db2.gz YOIIJNSPFVXENW-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)CC(C)C 642103397 347589735 /nfs/dbraw/zinc/58/97/35/347589735.db2.gz YOIIJNSPFVXENW-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@@H](CC)C1 642252718 347591882 /nfs/dbraw/zinc/59/18/82/347591882.db2.gz QZSOYNQHPNRRRC-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)CCC 642253508 347591888 /nfs/dbraw/zinc/59/18/88/347591888.db2.gz RLTSAFNFMRKLSM-JTQLQIEISA-N 1 1 155.285 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@H](CC)C1 642252719 347592103 /nfs/dbraw/zinc/59/21/03/347592103.db2.gz QZSOYNQHPNRRRC-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)CCC 642253509 347592279 /nfs/dbraw/zinc/59/22/79/347592279.db2.gz RLTSAFNFMRKLSM-SNVBAGLBSA-N 1 1 155.285 2.683 20 30 AFEDMO C=C(C)C[N@H+](CCCC)C1CC1 642529741 347595530 /nfs/dbraw/zinc/59/55/30/347595530.db2.gz SZCFVSCYAFPXSM-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(C)C[N@H+](C)C[C@@H](CC(C)C)OC 642700257 347601740 /nfs/dbraw/zinc/60/17/40/347601740.db2.gz VNOSQBKDMFLBRH-GFCCVEGCSA-N 1 1 199.338 2.555 20 30 AFEDMO C=C(C)C[N@H+](C)C[C@H](CC(C)C)OC 642700258 347601869 /nfs/dbraw/zinc/60/18/69/347601869.db2.gz VNOSQBKDMFLBRH-LBPRGKRZSA-N 1 1 199.338 2.555 20 30 AFEDMO C=C(C)CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 642721958 347602556 /nfs/dbraw/zinc/60/25/56/347602556.db2.gz JAXUCBCKZUECNZ-SRVKXCTJSA-N 1 1 181.323 2.929 20 30 AFEDMO C=C(C)CC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 642721957 347602632 /nfs/dbraw/zinc/60/26/32/347602632.db2.gz JAXUCBCKZUECNZ-SDDRHHMPSA-N 1 1 181.323 2.929 20 30 AFEDMO C=C(C)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 642721959 347602697 /nfs/dbraw/zinc/60/26/97/347602697.db2.gz JAXUCBCKZUECNZ-TUAOUCFPSA-N 1 1 181.323 2.929 20 30 AFEDMO C=C(C)CC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 642721956 347603061 /nfs/dbraw/zinc/60/30/61/347603061.db2.gz JAXUCBCKZUECNZ-QJPTWQEYSA-N 1 1 181.323 2.929 20 30 AFEDMO C=CCCC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 642723068 347604687 /nfs/dbraw/zinc/60/46/87/347604687.db2.gz VNGZRUANODWNEB-SDDRHHMPSA-N 1 1 181.323 2.929 20 30 AFEDMO C=CCCC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 642723070 347604724 /nfs/dbraw/zinc/60/47/24/347604724.db2.gz VNGZRUANODWNEB-TUAOUCFPSA-N 1 1 181.323 2.929 20 30 AFEDMO C=CCCCC[N@H+](C)CCCCOC 642727239 347604952 /nfs/dbraw/zinc/60/49/52/347604952.db2.gz VGTGIUVAECJVJP-UHFFFAOYSA-N 1 1 199.338 2.701 20 30 AFEDMO C=CCCC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 642723067 347605198 /nfs/dbraw/zinc/60/51/98/347605198.db2.gz VNGZRUANODWNEB-QJPTWQEYSA-N 1 1 181.323 2.929 20 30 AFEDMO C=CCCC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 642723069 347605257 /nfs/dbraw/zinc/60/52/57/347605257.db2.gz VNGZRUANODWNEB-SRVKXCTJSA-N 1 1 181.323 2.929 20 30 AFEDMO CC(C)C[C@H](C)[N@@H+](C)C[C@@H](C)C#N 42582520 351523976 /nfs/dbraw/zinc/52/39/76/351523976.db2.gz YSDANTMJQMLIKR-QWRGUYRKSA-N 1 1 182.311 2.512 20 30 AFEDMO CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)C#N 42582517 351524160 /nfs/dbraw/zinc/52/41/60/351524160.db2.gz YSDANTMJQMLIKR-WDEREUQCSA-N 1 1 182.311 2.512 20 30 AFEDMO CC(C)CC[N@@H+](CCC#N)CC(C)C 44295933 351537790 /nfs/dbraw/zinc/53/77/90/351537790.db2.gz MSSKZVPDXCLZEM-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO CC[C@@H](C)C[N@@H+](C)CCCCC#N 49579381 351547202 /nfs/dbraw/zinc/54/72/02/351547202.db2.gz UPQOHMRMAPTCGX-LLVKDONJSA-N 1 1 182.311 2.658 20 30 AFEDMO CC(C)CC[N@@H+](C)CCCCC#N 49579434 351547455 /nfs/dbraw/zinc/54/74/55/351547455.db2.gz ROCNTEGNIDYXHB-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO C[C@@H](c1ccccc1)[N@H+](C)CCC#N 49806300 351550263 /nfs/dbraw/zinc/55/02/63/351550263.db2.gz DAFDZQBWDNOANZ-NSHDSACASA-N 1 1 188.274 2.593 20 30 AFEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCC#N 49806300 351550268 /nfs/dbraw/zinc/55/02/68/351550268.db2.gz DAFDZQBWDNOANZ-NSHDSACASA-N 1 1 188.274 2.593 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](C)C#N 50424519 351554523 /nfs/dbraw/zinc/55/45/23/351554523.db2.gz WMAUAVQKAJQFQA-MNOVXSKESA-N 1 1 182.311 2.514 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CCC#N)C(C)C 50424525 351554553 /nfs/dbraw/zinc/55/45/53/351554553.db2.gz VOGGQUJTIQEHKP-LLVKDONJSA-N 1 1 182.311 2.657 20 30 AFEDMO C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 83640482 351646321 /nfs/dbraw/zinc/64/63/21/351646321.db2.gz IEDBADUVRFSHTL-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H]1CCCC[N@H+]1CCC(C)(C)C#N 83640479 351646419 /nfs/dbraw/zinc/64/64/19/351646419.db2.gz MKCHGFPBIIOFBE-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC1(C)CCC[N@@H+](CCCC#N)CC1 83680484 351646442 /nfs/dbraw/zinc/64/64/42/351646442.db2.gz ZEHGPGSAOXIKGC-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO C[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N 83640478 351646511 /nfs/dbraw/zinc/64/65/11/351646511.db2.gz MKCHGFPBIIOFBE-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO N#CCCC[N@H+]1CCC[C@@H]2CCC[C@H]21 83700982 351646582 /nfs/dbraw/zinc/64/65/82/351646582.db2.gz PINNIIZUOSBBDK-NWDGAFQWSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CCCC[N@H+]1CCC[C@H]2CCC[C@H]21 83700979 351646605 /nfs/dbraw/zinc/64/66/05/351646605.db2.gz PINNIIZUOSBBDK-VXGBXAGGSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 83640481 351646989 /nfs/dbraw/zinc/64/69/89/351646989.db2.gz IEDBADUVRFSHTL-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[N@@H+](CCC#N)C1CCC(C)(C)CC1 87287476 351658908 /nfs/dbraw/zinc/65/89/08/351658908.db2.gz AHLCYOQHKLBNBA-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO CC(C)(C#N)CC[N@H+]1CCC(C)(C)C1 87254227 351659049 /nfs/dbraw/zinc/65/90/49/351659049.db2.gz VAWDCHXRCNOFGR-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO N#CCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 132764051 351736836 /nfs/dbraw/zinc/73/68/36/351736836.db2.gz UUXHHKDKYAUWLM-RYUDHWBXSA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@H]1C[C@@H](C)C[N@@H+]1CCC(C)(C)C#N 160364620 351755497 /nfs/dbraw/zinc/75/54/97/351755497.db2.gz ANENKMMIUOXONO-MNOVXSKESA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H]1C[C@H](C)[N@@H+](CCC(C)(C)C#N)C1 160364735 351755512 /nfs/dbraw/zinc/75/55/12/351755512.db2.gz ANENKMMIUOXONO-QWRGUYRKSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1 160364854 351756457 /nfs/dbraw/zinc/75/64/57/351756457.db2.gz ANENKMMIUOXONO-GHMZBOCLSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H]1C[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1 160364991 351756473 /nfs/dbraw/zinc/75/64/73/351756473.db2.gz ANENKMMIUOXONO-WDEREUQCSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCC#N)C1 201005851 351781149 /nfs/dbraw/zinc/78/11/49/351781149.db2.gz PHYSFYSXQQQMRC-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCC#N)C1 201005887 351781246 /nfs/dbraw/zinc/78/12/46/351781246.db2.gz PHYSFYSXQQQMRC-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C=C(C)CCn1c[nH+]c2c1CCCC2 229083991 351806866 /nfs/dbraw/zinc/80/68/66/351806866.db2.gz VTWMRPPDWCJEDP-UHFFFAOYSA-N 1 1 190.290 2.728 20 30 AFEDMO C[N@@H+](CC1(C#N)CC1)C1CCCCC1 258835282 351867036 /nfs/dbraw/zinc/86/70/36/351867036.db2.gz DOBVBWRBFYRQGR-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO C[N@@H+](CC1(C#N)CCC1)C1CCCC1 258919473 351868117 /nfs/dbraw/zinc/86/81/17/351868117.db2.gz NBFHBCJLTCARQU-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO C=C(C)CC[N@H+]1CCC=C(F)C1 306432312 351929042 /nfs/dbraw/zinc/92/90/42/351929042.db2.gz SIQIHUSVUMIWCS-UHFFFAOYSA-N 1 1 169.243 2.512 20 30 AFEDMO C=C(C)C[N@H+]1CCc2ccsc2C1 306441150 351930272 /nfs/dbraw/zinc/93/02/72/351930272.db2.gz LBLIKAXGWNNSKC-UHFFFAOYSA-N 1 1 193.315 2.682 20 30 AFEDMO C=CC[N@H+]1CC[C@H]1c1ccccc1 306506523 351939926 /nfs/dbraw/zinc/93/99/26/351939926.db2.gz VTRFFNJCSZRTNV-LBPRGKRZSA-N 1 1 173.259 2.619 20 30 AFEDMO C[C@H]1CC[N@@H+](CCC(C)(C)C#N)[C@@H]1C 306947630 351976585 /nfs/dbraw/zinc/97/65/85/351976585.db2.gz QGRZGXFSPCONGW-WDEREUQCSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H]1CC[N@@H+](CCC(C)(C)C#N)[C@H]1C 306947629 351976591 /nfs/dbraw/zinc/97/65/91/351976591.db2.gz QGRZGXFSPCONGW-QWRGUYRKSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@@H]1C 306947627 351976685 /nfs/dbraw/zinc/97/66/85/351976685.db2.gz QGRZGXFSPCONGW-GHMZBOCLSA-N 1 1 194.322 2.657 20 30 AFEDMO C[C@H]1[C@H](C)CC[N@H+]1CCC(C)(C)C#N 306947628 351976700 /nfs/dbraw/zinc/97/67/00/351976700.db2.gz QGRZGXFSPCONGW-MNOVXSKESA-N 1 1 194.322 2.657 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 307083643 351985822 /nfs/dbraw/zinc/98/58/22/351985822.db2.gz KRTNVJGRRSGYOU-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 307083644 351985932 /nfs/dbraw/zinc/98/59/32/351985932.db2.gz KRTNVJGRRSGYOU-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 307083646 351986063 /nfs/dbraw/zinc/98/60/63/351986063.db2.gz KRTNVJGRRSGYOU-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C)[C@H]1CCC[C@H](C)C1 307083645 351986114 /nfs/dbraw/zinc/98/61/14/351986114.db2.gz KRTNVJGRRSGYOU-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@H+]1CCc2ccsc2C1 307334714 352004060 /nfs/dbraw/zinc/00/40/60/352004060.db2.gz RFKWQKYOZQAZBJ-UHFFFAOYSA-N 1 1 193.315 2.682 20 30 AFEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](C)C1 307458144 352014579 /nfs/dbraw/zinc/01/45/79/352014579.db2.gz ABYYNBHLQGNVBS-SECBINFHSA-N 1 1 189.249 2.540 20 30 AFEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](C)C1 307458151 352014661 /nfs/dbraw/zinc/01/46/61/352014661.db2.gz ABYYNBHLQGNVBS-VIFPVBQESA-N 1 1 189.249 2.540 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)C(C)C 307628522 352026728 /nfs/dbraw/zinc/02/67/28/352026728.db2.gz KMBJQKQHISXKFU-SNVBAGLBSA-N 1 1 155.285 2.539 20 30 AFEDMO C=CC[N@H+](C)[C@@H](C)C(C)(C)C 307626631 352026783 /nfs/dbraw/zinc/02/67/83/352026783.db2.gz QNWICJUMWBUYEA-VIFPVBQESA-N 1 1 155.285 2.539 20 30 AFEDMO C=CC[N@H+](C)[C@H](C)C(C)(C)C 307626629 352026812 /nfs/dbraw/zinc/02/68/12/352026812.db2.gz QNWICJUMWBUYEA-SECBINFHSA-N 1 1 155.285 2.539 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(C)C 307628521 352026919 /nfs/dbraw/zinc/02/69/19/352026919.db2.gz KMBJQKQHISXKFU-JTQLQIEISA-N 1 1 155.285 2.539 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)CCC[C@@H]1C 307710776 352034310 /nfs/dbraw/zinc/03/43/10/352034310.db2.gz QZPMFUMYJIHSMN-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@H+]1C[C@@H](C)CCC[C@@H]1C 307710778 352034402 /nfs/dbraw/zinc/03/44/02/352034402.db2.gz QZPMFUMYJIHSMN-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@H+]1C[C@@H](C)CCC[C@H]1C 307710777 352034833 /nfs/dbraw/zinc/03/48/33/352034833.db2.gz QZPMFUMYJIHSMN-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)CCC[C@H]1C 307710779 352034851 /nfs/dbraw/zinc/03/48/51/352034851.db2.gz QZPMFUMYJIHSMN-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](C)C1 307745254 352037397 /nfs/dbraw/zinc/03/73/97/352037397.db2.gz RHCYBWVBEMSYJS-SECBINFHSA-N 1 1 189.249 2.540 20 30 AFEDMO C=CCC[N@H+]1CCC(F)(F)[C@@H](C)C1 307745255 352037494 /nfs/dbraw/zinc/03/74/94/352037494.db2.gz RHCYBWVBEMSYJS-VIFPVBQESA-N 1 1 189.249 2.540 20 30 AFEDMO C=CC[N@H+](CCC(C)C)C1CC1 307961263 352041306 /nfs/dbraw/zinc/04/13/06/352041306.db2.gz LODIRXXQZXHMFY-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 334234803 352059681 /nfs/dbraw/zinc/05/96/81/352059681.db2.gz ASLCPGKRXHVTFK-WDEREUQCSA-N 1 1 194.322 2.657 20 30 AFEDMO N#CCC[N@H+]1CCCC12CCCCC2 334349397 352065960 /nfs/dbraw/zinc/06/59/60/352065960.db2.gz DVTUOWONFDHNBX-UHFFFAOYSA-N 1 1 192.306 2.699 20 30 AFEDMO CC[C@H]1CC[C@H](C)[N@H+]1CC1(C#N)CC1 334479192 352072620 /nfs/dbraw/zinc/07/26/20/352072620.db2.gz SNPPRJXHBUTVGB-QWRGUYRKSA-N 1 1 192.306 2.553 20 30 AFEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC1(C#N)CC1 334479191 352072765 /nfs/dbraw/zinc/07/27/65/352072765.db2.gz SNPPRJXHBUTVGB-MNOVXSKESA-N 1 1 192.306 2.553 20 30 AFEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC1(C#N)CC1 334479189 352072858 /nfs/dbraw/zinc/07/28/58/352072858.db2.gz SNPPRJXHBUTVGB-GHMZBOCLSA-N 1 1 192.306 2.553 20 30 AFEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC1(C#N)CC1 334479194 352072887 /nfs/dbraw/zinc/07/28/87/352072887.db2.gz SNPPRJXHBUTVGB-WDEREUQCSA-N 1 1 192.306 2.553 20 30 AFEDMO C=CC[N@H+]1CCSC2(CCC2)CC1 334637233 352077718 /nfs/dbraw/zinc/07/77/18/352077718.db2.gz GOKSSFWJIRJUQA-UHFFFAOYSA-N 1 1 197.347 2.534 20 30 AFEDMO C[C@@H]1CCC(C)(C)[N@H+]1CC1(C#N)CC1 334692604 352079840 /nfs/dbraw/zinc/07/98/40/352079840.db2.gz UIVUVKAXPDPCKL-SNVBAGLBSA-N 1 1 192.306 2.553 20 30 AFEDMO C[C@H]1CCC(C)(C)[N@H+]1CC1(C#N)CC1 334692603 352080159 /nfs/dbraw/zinc/08/01/59/352080159.db2.gz UIVUVKAXPDPCKL-JTQLQIEISA-N 1 1 192.306 2.553 20 30 AFEDMO C[C@H]1CCC(C)(C)[N@H+]1CCCC#N 334866834 352084191 /nfs/dbraw/zinc/08/41/91/352084191.db2.gz MYFFTXSDQJZSME-JTQLQIEISA-N 1 1 180.295 2.553 20 30 AFEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCCC#N 334866836 352084713 /nfs/dbraw/zinc/08/47/13/352084713.db2.gz MYFFTXSDQJZSME-SNVBAGLBSA-N 1 1 180.295 2.553 20 30 AFEDMO C=CCC[N@@H+]1Cc2cccc(F)c2C1 335167827 352089877 /nfs/dbraw/zinc/08/98/77/352089877.db2.gz MMRFQKQCWORGTJ-UHFFFAOYSA-N 1 1 191.249 2.717 20 30 AFEDMO C=CCC[N@H+]1Cc2cccc(F)c2C1 335167827 352089880 /nfs/dbraw/zinc/08/98/80/352089880.db2.gz MMRFQKQCWORGTJ-UHFFFAOYSA-N 1 1 191.249 2.717 20 30 AFEDMO CC[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 335232002 352092025 /nfs/dbraw/zinc/09/20/25/352092025.db2.gz FNUHQEHKPGNFCM-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO CC[C@H]1CCC[N@H+]1CC1(C#N)CCC1 335232004 352092240 /nfs/dbraw/zinc/09/22/40/352092240.db2.gz FNUHQEHKPGNFCM-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@@H]1CCCCC[N@H+]1CC1(C#N)CC1 335729426 352110424 /nfs/dbraw/zinc/11/04/24/352110424.db2.gz OLBPPVJTZIHQPZ-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO C=CCC[N@H+]1CCCc2occc2C1 335792345 352112357 /nfs/dbraw/zinc/11/23/57/352112357.db2.gz YFMKTPKPQSVIBT-UHFFFAOYSA-N 1 1 191.274 2.604 20 30 AFEDMO N#CC[N@@H+]1CCC[C@@H]1C1CCCCC1 336028075 352122880 /nfs/dbraw/zinc/12/28/80/352122880.db2.gz COUVWHUNOIBUAO-GFCCVEGCSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CC[N@H+]1CCC[C@@H]1C1CCCCC1 336028075 352122883 /nfs/dbraw/zinc/12/28/83/352122883.db2.gz COUVWHUNOIBUAO-GFCCVEGCSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CC[N@@H+]1CCC[C@H]1C1CCCCC1 336028076 352122939 /nfs/dbraw/zinc/12/29/39/352122939.db2.gz COUVWHUNOIBUAO-LBPRGKRZSA-N 1 1 192.306 2.555 20 30 AFEDMO N#CC[N@H+]1CCC[C@H]1C1CCCCC1 336028076 352122943 /nfs/dbraw/zinc/12/29/43/352122943.db2.gz COUVWHUNOIBUAO-LBPRGKRZSA-N 1 1 192.306 2.555 20 30 AFEDMO CC1(C)CCC[N@H+]1CC1(C#N)CCC1 336201739 352128813 /nfs/dbraw/zinc/12/88/13/352128813.db2.gz GYCUWDLOALZKLW-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccc[nH]1 336340978 352136552 /nfs/dbraw/zinc/13/65/52/352136552.db2.gz NDWSIDBAVOSOTG-LBPRGKRZSA-N 1 1 190.290 2.728 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 336340977 352136664 /nfs/dbraw/zinc/13/66/64/352136664.db2.gz NDWSIDBAVOSOTG-GFCCVEGCSA-N 1 1 190.290 2.728 20 30 AFEDMO C[C@H]1CC[N@@H+](CCCC#N)C[C@H](C)C1 336460529 352141890 /nfs/dbraw/zinc/14/18/90/352141890.db2.gz NDHUGTWEWZJYPD-NWDGAFQWSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]1CC[N@@H+](CCCC#N)C[C@@H](C)C1 336460514 352142332 /nfs/dbraw/zinc/14/23/32/352142332.db2.gz NDHUGTWEWZJYPD-NEPJUHHUSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H]1C[C@@H](C)CC[N@@H+](CCCC#N)C1 336460532 352142365 /nfs/dbraw/zinc/14/23/65/352142365.db2.gz NDHUGTWEWZJYPD-RYUDHWBXSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]1CC[N@@H+](CCCC#N)C[C@H](C)C1 336460534 352142462 /nfs/dbraw/zinc/14/24/62/352142462.db2.gz NDHUGTWEWZJYPD-VXGBXAGGSA-N 1 1 194.322 2.658 20 30 AFEDMO CC1=CC[N@@H+](CCC(C)(C)C#N)CC1 336553563 352146381 /nfs/dbraw/zinc/14/63/81/352146381.db2.gz KAMZOUSJRFTUQG-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO C[C@H]1CC[C@@H](C)[N@H+]1CCC(C)(C)C#N 336574223 352148298 /nfs/dbraw/zinc/14/82/98/352148298.db2.gz WHVXURUYWRAWCR-PHIMTYICSA-N 1 1 194.322 2.799 20 30 AFEDMO C=C(C)C[N@@H+]1CCC(F)(F)C[C@H]1C 528768109 352181397 /nfs/dbraw/zinc/18/13/97/352181397.db2.gz NGRLMHALGMNOMP-SECBINFHSA-N 1 1 189.249 2.682 20 30 AFEDMO C=CCC[N@@H+]1CCC(F)(F)C[C@@H]1C 528766128 352181416 /nfs/dbraw/zinc/18/14/16/352181416.db2.gz JTEHDLRWPMWYLQ-VIFPVBQESA-N 1 1 189.249 2.682 20 30 AFEDMO C=CCC[N@@H+]1CCC(F)(F)C[C@H]1C 528766125 352181515 /nfs/dbraw/zinc/18/15/15/352181515.db2.gz JTEHDLRWPMWYLQ-SECBINFHSA-N 1 1 189.249 2.682 20 30 AFEDMO C=C(C)C[N@@H+]1CCC(F)(F)C[C@@H]1C 528768111 352181973 /nfs/dbraw/zinc/18/19/73/352181973.db2.gz NGRLMHALGMNOMP-VIFPVBQESA-N 1 1 189.249 2.682 20 30 AFEDMO C=CCCCn1cc[nH+]c1C1CC1 530130438 352185994 /nfs/dbraw/zinc/18/59/94/352185994.db2.gz VZDWHVRSEDYEAI-UHFFFAOYSA-N 1 1 176.263 2.727 20 30 AFEDMO C=C(Cl)Cn1cc[nH+]c1C1CC1 530130966 352186501 /nfs/dbraw/zinc/18/65/01/352186501.db2.gz VDGNMBXHROWYGS-UHFFFAOYSA-N 1 1 182.654 2.513 20 30 AFEDMO C=C(CC)Cn1cc[nH+]c1C1CC1 530129264 352186515 /nfs/dbraw/zinc/18/65/15/352186515.db2.gz JTLOIZOGMKRXIA-UHFFFAOYSA-N 1 1 176.263 2.727 20 30 AFEDMO CCC(CC)C[N@@H+](C)CC(C)(C)C#N 590373274 352913365 /nfs/dbraw/zinc/91/33/65/352913365.db2.gz QDXVRWSULPRAEZ-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO C[C@@H](C[NH+]1CC(C)(C#N)C1)C(C)(C)C 590967822 352915307 /nfs/dbraw/zinc/91/53/07/352915307.db2.gz RJCQUEAHEUCRFX-JTQLQIEISA-N 1 1 194.322 2.514 20 30 AFEDMO C[C@H](C[NH+]1CC(C)(C#N)C1)C(C)(C)C 590967823 352915475 /nfs/dbraw/zinc/91/54/75/352915475.db2.gz RJCQUEAHEUCRFX-SNVBAGLBSA-N 1 1 194.322 2.514 20 30 AFEDMO CCC1(CC)CCC[N@@H+](CCC#N)C1 595752040 352921725 /nfs/dbraw/zinc/92/17/25/352921725.db2.gz JGONNYMFNGRGAO-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CC#CC[N@H+](CC)Cc1ccccc1 607725173 352926292 /nfs/dbraw/zinc/92/62/92/352926292.db2.gz RLXWGTYAQMKLTQ-UHFFFAOYSA-N 1 1 187.286 2.532 20 30 AFEDMO CC#CC[N@H+](C1CCCCC1)C1CC1 607726570 352926791 /nfs/dbraw/zinc/92/67/91/352926791.db2.gz VMBZDYXSSMPMFY-UHFFFAOYSA-N 1 1 191.318 2.807 20 30 AFEDMO CC[N@@H+](CC(C)(C)CCC#N)C1CC1 611254435 352928609 /nfs/dbraw/zinc/92/86/09/352928609.db2.gz XOIZBCXVDPDWBW-UHFFFAOYSA-N 1 1 194.322 2.801 20 30 AFEDMO C[N@@H+](CCC#N)CC1CCCCCC1 611249405 352929010 /nfs/dbraw/zinc/92/90/10/352929010.db2.gz VAWBBVZESYHYCY-UHFFFAOYSA-N 1 1 194.322 2.802 20 30 AFEDMO CC(C)C[N@@H+](C)CC(C)(C)CCC#N 611253890 352929072 /nfs/dbraw/zinc/92/90/72/352929072.db2.gz HFOSOVAHRFUTDV-UHFFFAOYSA-N 1 1 196.338 2.904 20 30 AFEDMO CC[C@H](C)C[N@@H+](CC)CC1(C#N)CC1 611430070 352929474 /nfs/dbraw/zinc/92/94/74/352929474.db2.gz VRDCTDVWKMRJJB-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@H]([N@@H+](C)CC1(C#N)CC1)C(C)(C)C 611429137 352929483 /nfs/dbraw/zinc/92/94/83/352929483.db2.gz NWBZDCLCJRDENX-JTQLQIEISA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CC)CC1(C#N)CC1 611430069 352929498 /nfs/dbraw/zinc/92/94/98/352929498.db2.gz VRDCTDVWKMRJJB-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO C[C@@H]([N@@H+](C)CC1(C#N)CC1)C(C)(C)C 611429138 352929514 /nfs/dbraw/zinc/92/95/14/352929514.db2.gz NWBZDCLCJRDENX-SNVBAGLBSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[N@@H+](CC1(C#N)CC1)[C@H](C)C(C)C 611429302 352929530 /nfs/dbraw/zinc/92/95/30/352929530.db2.gz IUSXCBMGKBPNBR-LLVKDONJSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[N@@H+](CC1(C#N)CC1)[C@@H](C)C(C)C 611429303 352929542 /nfs/dbraw/zinc/92/95/42/352929542.db2.gz IUSXCBMGKBPNBR-NSHDSACASA-N 1 1 194.322 2.657 20 30 AFEDMO CCC[N@@H+](CC(C)C)CC1(C#N)CC1 611429296 352929555 /nfs/dbraw/zinc/92/95/55/352929555.db2.gz DIFNYYYHLYEWPC-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CCCC[N@@H+](CC1(C#N)CC1)C1CC1 611429177 352929608 /nfs/dbraw/zinc/92/96/08/352929608.db2.gz YSHZPWYPZAIFTL-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO C=CCC[N@H+](C)CCSC(C)C 619781836 352933055 /nfs/dbraw/zinc/93/30/55/352933055.db2.gz WLNXULCJSGHAGC-UHFFFAOYSA-N 1 1 187.352 2.636 20 30 AFEDMO CC[N@@H+](CCC#N)C[C@H](C)C(C)(C)C 619844089 352933100 /nfs/dbraw/zinc/93/31/00/352933100.db2.gz PYIBRZZVXYCSPB-NSHDSACASA-N 1 1 196.338 2.904 20 30 AFEDMO CC[N@@H+](CCC#N)C[C@@H](C)C(C)(C)C 619844088 352933296 /nfs/dbraw/zinc/93/32/96/352933296.db2.gz PYIBRZZVXYCSPB-LLVKDONJSA-N 1 1 196.338 2.904 20 30 AFEDMO CC#CCC[N@H+](CC)CC(C)(C)C 643409548 352951121 /nfs/dbraw/zinc/95/11/21/352951121.db2.gz VROCFEWVAIKPGH-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO C=CC[NH2+]Cc1c(F)cc(C)cc1F 643744217 353006115 /nfs/dbraw/zinc/00/61/15/353006115.db2.gz WJJSEMJZIQKTAD-UHFFFAOYSA-N 1 1 197.228 2.549 20 30 AFEDMO C[N@@H+](CCCC#N)C1CCCCC1 19518877 371628696 /nfs/dbraw/zinc/62/86/96/371628696.db2.gz NPOCVPAUMZHKCW-UHFFFAOYSA-N 1 1 180.295 2.555 20 30 AFEDMO CC[C@@H](C)C[N@H+](CC#N)C1CCCC1 70715039 371644838 /nfs/dbraw/zinc/64/48/38/371644838.db2.gz VIUGKSXCQUAYOT-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CC#N)C1CCCC1 70715039 371644845 /nfs/dbraw/zinc/64/48/45/371644845.db2.gz VIUGKSXCQUAYOT-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H](C)C[N@H+](CC#N)C1CCCC1 70715041 371645281 /nfs/dbraw/zinc/64/52/81/371645281.db2.gz VIUGKSXCQUAYOT-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO CC[C@H](C)C[N@@H+](CC#N)C1CCCC1 70715041 371645284 /nfs/dbraw/zinc/64/52/84/371645284.db2.gz VIUGKSXCQUAYOT-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H]1C 86009921 371651421 /nfs/dbraw/zinc/65/14/21/371651421.db2.gz KVYKGIADDBLXDJ-PHIMTYICSA-N 1 1 194.322 2.514 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 306926166 371767197 /nfs/dbraw/zinc/76/71/97/371767197.db2.gz PFLQKQSMCFJWJI-NSHDSACASA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@H](C)CC(C)(C)C1 306926165 371767563 /nfs/dbraw/zinc/76/75/63/371767563.db2.gz PFLQKQSMCFJWJI-LLVKDONJSA-N 1 1 181.323 2.931 20 30 AFEDMO CC[N@@H+](CC(C)C)[C@@H]1CC[C@@H](C#N)C1 590153418 371849611 /nfs/dbraw/zinc/84/96/11/371849611.db2.gz IOEDHHOQROMDRB-VXGBXAGGSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)CC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 590154713 371849642 /nfs/dbraw/zinc/84/96/42/371849642.db2.gz SHWSNTSVVQNROP-RYUDHWBXSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)CC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 590154708 371849653 /nfs/dbraw/zinc/84/96/53/371849653.db2.gz SHWSNTSVVQNROP-NEPJUHHUSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)CC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 590154711 371849715 /nfs/dbraw/zinc/84/97/15/371849715.db2.gz SHWSNTSVVQNROP-NWDGAFQWSA-N 1 1 194.322 2.657 20 30 AFEDMO CC(C)CC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 590154715 371849763 /nfs/dbraw/zinc/84/97/63/371849763.db2.gz SHWSNTSVVQNROP-VXGBXAGGSA-N 1 1 194.322 2.657 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(F)c(F)c1 613408704 371865845 /nfs/dbraw/zinc/86/58/45/371865845.db2.gz SYCZXIAYNSWZTH-UHFFFAOYSA-N 1 1 197.228 2.583 20 30 AFEDMO C=C(C)C[N@H+](CC(C)C)C1CC1 613409730 371866374 /nfs/dbraw/zinc/86/63/74/371866374.db2.gz IUJCWOSWRAUVSB-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO CC#CCC[N@H+]1CC[C@@H](C)C[C@H]1C 644951178 371936139 /nfs/dbraw/zinc/93/61/39/371936139.db2.gz JBAIXMFZMBRQJB-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCOCC[N@H+](CCC)CC(C)C 645080550 371943043 /nfs/dbraw/zinc/94/30/43/371943043.db2.gz JZRQJSAZWZRTON-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO C=CCOCC[N@H+](CC)C[C@H](C)CC 645091068 371943156 /nfs/dbraw/zinc/94/31/56/371943156.db2.gz QZNUDSFGNCROLG-GFCCVEGCSA-N 1 1 199.338 2.557 20 30 AFEDMO C=CCOCC[N@H+](CC)C[C@@H](C)CC 645091069 371943913 /nfs/dbraw/zinc/94/39/13/371943913.db2.gz QZNUDSFGNCROLG-LBPRGKRZSA-N 1 1 199.338 2.557 20 30 AFEDMO C=CCOCC[N@H+](C)[C@@H](C)CCCC 645150659 371947404 /nfs/dbraw/zinc/94/74/04/371947404.db2.gz UCBALCSASBWQHW-LBPRGKRZSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CCOCC[N@H+](CC)C(CC)CC 645150295 371948146 /nfs/dbraw/zinc/94/81/46/371948146.db2.gz KORKWRUUYCZVIW-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CCOCC[N@H+](CC)CC(C)(C)C 645150681 371948209 /nfs/dbraw/zinc/94/82/09/371948209.db2.gz YFBRSWTVCGLFJX-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO C=CCOCC[N@H+](C)[C@H](C)CCCC 645150658 371948187 /nfs/dbraw/zinc/94/81/87/371948187.db2.gz UCBALCSASBWQHW-GFCCVEGCSA-N 1 1 199.338 2.700 20 30 AFEDMO CC#CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 645248344 371955163 /nfs/dbraw/zinc/95/51/63/371955163.db2.gz AFKHMNHGAZBULW-VXGBXAGGSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 645248340 371955272 /nfs/dbraw/zinc/95/52/72/371955272.db2.gz AFKHMNHGAZBULW-NWDGAFQWSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 645248337 371955504 /nfs/dbraw/zinc/95/55/04/371955504.db2.gz AFKHMNHGAZBULW-NEPJUHHUSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 645248342 371955955 /nfs/dbraw/zinc/95/59/55/371955955.db2.gz AFKHMNHGAZBULW-RYUDHWBXSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@@H+](C)[C@H]1C=CCCCCC1 645262169 371957322 /nfs/dbraw/zinc/95/73/22/371957322.db2.gz JBRCPXGRBGOHNY-ZDUSSCGKSA-N 1 1 191.318 2.830 20 30 AFEDMO CC#CC[N@@H+](C)[C@@H]1C=CCCCCC1 645262168 371958019 /nfs/dbraw/zinc/95/80/19/371958019.db2.gz JBRCPXGRBGOHNY-CYBMUJFWSA-N 1 1 191.318 2.830 20 30 AFEDMO CC#CC[N@@H+](C)CCCC1CCCC1 645262418 371960125 /nfs/dbraw/zinc/96/01/25/371960125.db2.gz RTWAGWKIHVQMIE-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C=C(C)C[N@H+](CC)CC1=CCCC1 645772901 371965159 /nfs/dbraw/zinc/96/51/59/371965159.db2.gz WGOAZUMYQIYKRI-UHFFFAOYSA-N 1 1 179.307 2.995 20 30 AFEDMO C=C(C)C[N@H+](C)CC1=CCCC1 645847938 371969101 /nfs/dbraw/zinc/96/91/01/371969101.db2.gz UNSCLHOBDKXKOW-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO C#CC[N@H+]1CCC[C@H]1c1ccsc1 306496803 375449854 /nfs/dbraw/zinc/44/98/54/375449854.db2.gz YLLIYDLIJUQAMB-NSHDSACASA-N 1 1 191.299 2.518 20 30 AFEDMO C#CC[N@H+]1CCC[C@@H]1c1ccsc1 306496802 375450263 /nfs/dbraw/zinc/45/02/63/375450263.db2.gz YLLIYDLIJUQAMB-LLVKDONJSA-N 1 1 191.299 2.518 20 30 AFEDMO C[C@H]1CC[C@@H](C)[N@H+]1CC1(C#N)CCC1 336191521 375493027 /nfs/dbraw/zinc/49/30/27/375493027.db2.gz XSTWYIOSMMSJAG-PHIMTYICSA-N 1 1 192.306 2.553 20 30 AFEDMO C[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 336190485 375493044 /nfs/dbraw/zinc/49/30/44/375493044.db2.gz JIPGYPVGEUICMQ-NSHDSACASA-N 1 1 192.306 2.555 20 30 AFEDMO C[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 336190484 375493128 /nfs/dbraw/zinc/49/31/28/375493128.db2.gz JIPGYPVGEUICMQ-LLVKDONJSA-N 1 1 192.306 2.555 20 30 AFEDMO CC[C@@H](C)C[N@H+]1CCC[C@@H](CC#N)C1 397589538 375500375 /nfs/dbraw/zinc/50/03/75/375500375.db2.gz JUWHHEXRMQNDOZ-NEPJUHHUSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H](C)C[N@H+]1CCC[C@H](CC#N)C1 397589539 375500430 /nfs/dbraw/zinc/50/04/30/375500430.db2.gz JUWHHEXRMQNDOZ-NWDGAFQWSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@@H](C)C[N@H+]1CCC[C@H](CC#N)C1 397589541 375500678 /nfs/dbraw/zinc/50/06/78/375500678.db2.gz JUWHHEXRMQNDOZ-VXGBXAGGSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[C@H](C)C[N@H+]1CCC[C@@H](CC#N)C1 397589540 375501038 /nfs/dbraw/zinc/50/10/38/375501038.db2.gz JUWHHEXRMQNDOZ-RYUDHWBXSA-N 1 1 194.322 2.658 20 30 AFEDMO C=CCOCC[N@H+](C)CCC(C)(C)C 646029057 375570396 /nfs/dbraw/zinc/57/03/96/375570396.db2.gz ZBORSFIVDZNMSC-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO C=C(CC)C[N@@H+](C)C(C)(C)C 646088437 375575683 /nfs/dbraw/zinc/57/56/83/375575683.db2.gz ISPMVSNFCOSHEG-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CC[N@H+](C)Cc1ccsc1C 646164630 375583016 /nfs/dbraw/zinc/58/30/16/375583016.db2.gz OKIAHMLJUKPRAL-UHFFFAOYSA-N 1 1 181.304 2.674 20 30 AFEDMO C=CC[N@H+](C)Cc1cccc(C)c1F 648529077 375716016 /nfs/dbraw/zinc/71/60/16/375716016.db2.gz FOQRXJDJILPUJV-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@@H+](C)Cc1cccc(C)c1F 648529077 375716014 /nfs/dbraw/zinc/71/60/14/375716014.db2.gz FOQRXJDJILPUJV-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@H+](C)Cc1csc(C)c1 648529120 375717227 /nfs/dbraw/zinc/71/72/27/375717227.db2.gz PJDOFYIXDRRYCP-UHFFFAOYSA-N 1 1 181.304 2.674 20 30 AFEDMO CC(C)c1[nH+]ccn1CCCCC#N 49579483 409373435 /nfs/dbraw/zinc/37/34/35/409373435.db2.gz MDKPKBGNHFAGFG-UHFFFAOYSA-N 1 1 191.278 2.700 20 30 AFEDMO CC#CCC[N@H+](CCC)C(C)C 653798675 409379338 /nfs/dbraw/zinc/37/93/38/409379338.db2.gz KPNYWARRWFIDLG-UHFFFAOYSA-N 1 1 167.296 2.520 20 30 AFEDMO C=C(C)C[N@H+](CCC)C(C)C 653797409 409381033 /nfs/dbraw/zinc/38/10/33/409381033.db2.gz KESQMXSAFWHQOC-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CCOc1cc[nH+]c2c1CCCC2 655702502 409416131 /nfs/dbraw/zinc/41/61/31/409416131.db2.gz ZBAPIWNGRXIROA-UHFFFAOYSA-N 1 1 189.258 2.525 20 30 AFEDMO CC#CCC[N@@H+](C)C1CC(C)(C)C1 657245081 409460516 /nfs/dbraw/zinc/46/05/16/409460516.db2.gz LHQMUXANDUTXFH-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(C)C[N@H+](C)C1CC(C)(C)C1 657242096 409460615 /nfs/dbraw/zinc/46/06/15/409460615.db2.gz VAYQJWWETZFTSB-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCCn1c[nH+]c2c1CCCC2 124057604 409471149 /nfs/dbraw/zinc/47/11/49/409471149.db2.gz UYBQETCOVKBEQP-UHFFFAOYSA-N 1 1 190.290 2.728 20 30 AFEDMO C=C(C)C[N@@H+](CC)CC1CC=CC1 659829579 409548789 /nfs/dbraw/zinc/54/87/89/409548789.db2.gz RUCZRAWSJIQRRD-UHFFFAOYSA-N 1 1 179.307 2.851 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C)C[C@H]1C 306251328 409551264 /nfs/dbraw/zinc/55/12/64/409551264.db2.gz TVJQDWRREZIBOQ-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(CC)CNc1cccc(C)[nH+]1 306369292 409561137 /nfs/dbraw/zinc/56/11/37/409561137.db2.gz LGHAJBGCUDEMHL-UHFFFAOYSA-N 1 1 176.263 2.768 20 30 AFEDMO C=C(C)C[N@@H+](C)CCC=C(C)C 660221510 409588179 /nfs/dbraw/zinc/58/81/79/409588179.db2.gz QBJBYIKCVQZXRQ-UHFFFAOYSA-N 1 1 167.296 2.851 20 30 AFEDMO C=CC[N@@H+](CC1CC=CC1)C1CC1 660171135 409588729 /nfs/dbraw/zinc/58/87/29/409588729.db2.gz UFONKOVPAQELGK-UHFFFAOYSA-N 1 1 177.291 2.603 20 30 AFEDMO C=CC[N@H+](CCC=C(C)C)C1CC1 660169992 409588980 /nfs/dbraw/zinc/58/89/80/409588980.db2.gz NNNXDRJGVZHEKW-UHFFFAOYSA-N 1 1 179.307 2.993 20 30 AFEDMO C=C[C@H]1CCCC[N@H+]1CC1CC=CC1 660430374 409601595 /nfs/dbraw/zinc/60/15/95/409601595.db2.gz SQYFJGKIJFWFEL-ZDUSSCGKSA-N 1 1 191.318 2.993 20 30 AFEDMO C=C[C@@H]1CCCC[N@H+]1CC1CC=CC1 660430373 409602723 /nfs/dbraw/zinc/60/27/23/409602723.db2.gz SQYFJGKIJFWFEL-CYBMUJFWSA-N 1 1 191.318 2.993 20 30 AFEDMO CC#CC[N@@H+](C)CCCC1CCC1 660645459 409612467 /nfs/dbraw/zinc/61/24/67/409612467.db2.gz VDUVNLHMVNVQLL-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21 660933608 409624574 /nfs/dbraw/zinc/62/45/74/409624574.db2.gz VJXGDVNNOOHUIF-AGIUHOORSA-N 1 1 191.318 2.663 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21 660933609 409626692 /nfs/dbraw/zinc/62/66/92/409626692.db2.gz VJXGDVNNOOHUIF-AVGNSLFASA-N 1 1 191.318 2.663 20 30 AFEDMO CC#CCC[N@H+](CC)[C@H](C)CC 661104349 409628392 /nfs/dbraw/zinc/62/83/92/409628392.db2.gz KWRTXBNLKFSGCU-LLVKDONJSA-N 1 1 167.296 2.520 20 30 AFEDMO CC#CCC[N@H+](CC)[C@@H](C)CC 661104350 409628628 /nfs/dbraw/zinc/62/86/28/409628628.db2.gz KWRTXBNLKFSGCU-NSHDSACASA-N 1 1 167.296 2.520 20 30 AFEDMO C=CCC[N@H+](CC)[C@H](C)CC 661104021 409628738 /nfs/dbraw/zinc/62/87/38/409628738.db2.gz JHUYTAHLEVMDIL-SNVBAGLBSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CCC[N@H+](CC)[C@@H](C)CC 661104019 409629475 /nfs/dbraw/zinc/62/94/75/409629475.db2.gz JHUYTAHLEVMDIL-JTQLQIEISA-N 1 1 155.285 2.683 20 30 AFEDMO C=CC[N@H+](CCCCC)[C@H](C)COC 661240958 409636505 /nfs/dbraw/zinc/63/65/05/409636505.db2.gz UMPCCJXYJLKMNY-GFCCVEGCSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CC[N@H+](C[C@H](C)CC)[C@@H](C)COC 661241488 409636529 /nfs/dbraw/zinc/63/65/29/409636529.db2.gz ZENLVTTZBUFFSA-NEPJUHHUSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[N@H+](C[C@H](C)CC)[C@H](C)COC 661241491 409636777 /nfs/dbraw/zinc/63/67/77/409636777.db2.gz ZENLVTTZBUFFSA-VXGBXAGGSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[N@@H+]1CCc2ccc(C)cc2C1 661375468 409636841 /nfs/dbraw/zinc/63/68/41/409636841.db2.gz MYOHUCVBTSEHBD-UHFFFAOYSA-N 1 1 187.286 2.539 20 30 AFEDMO C=CC[N@H+](CCCCC)[C@@H](C)COC 661240959 409637338 /nfs/dbraw/zinc/63/73/38/409637338.db2.gz UMPCCJXYJLKMNY-LBPRGKRZSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CC[N@H+](C[C@@H](C)CC)[C@@H](C)COC 661241490 409637652 /nfs/dbraw/zinc/63/76/52/409637652.db2.gz ZENLVTTZBUFFSA-RYUDHWBXSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[N@H+](CCC(C)C)[C@@H](C)COC 661244421 409637797 /nfs/dbraw/zinc/63/77/97/409637797.db2.gz TZVOIMXXBLGLSZ-LBPRGKRZSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[N@H+](C[C@@H](C)CC)[C@H](C)COC 661241489 409637921 /nfs/dbraw/zinc/63/79/21/409637921.db2.gz ZENLVTTZBUFFSA-NWDGAFQWSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[N@H+](CCC(C)C)[C@H](C)COC 661244420 409638276 /nfs/dbraw/zinc/63/82/76/409638276.db2.gz TZVOIMXXBLGLSZ-GFCCVEGCSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[C@H]1CCC[N@H+](CCCF)C1 661381264 409639895 /nfs/dbraw/zinc/63/98/95/409639895.db2.gz YUSRFKRMWAMDTK-NSHDSACASA-N 1 1 185.286 2.634 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](CCC#CC)C1 661387187 409640010 /nfs/dbraw/zinc/64/00/10/409640010.db2.gz XELLHTQDDKVKJW-CYBMUJFWSA-N 1 1 191.318 2.688 20 30 AFEDMO C=CC[C@H]1CCC[N@H+](CCC#CC)C1 661387189 409640039 /nfs/dbraw/zinc/64/00/39/409640039.db2.gz XELLHTQDDKVKJW-ZDUSSCGKSA-N 1 1 191.318 2.688 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](CCCF)C1 661381263 409640108 /nfs/dbraw/zinc/64/01/08/409640108.db2.gz YUSRFKRMWAMDTK-LLVKDONJSA-N 1 1 185.286 2.634 20 30 AFEDMO C=CC[C@@H]1CCC[N@@H+](CC2CC2)C1 661380953 409640719 /nfs/dbraw/zinc/64/07/19/409640719.db2.gz RVEUZZIZKTVTNH-LLVKDONJSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](CCC)C1 661379406 409641081 /nfs/dbraw/zinc/64/10/81/409641081.db2.gz XZLWHASXEOOWSD-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[C@H]1CCC[N@H+](CCC)C1 661379407 409641141 /nfs/dbraw/zinc/64/11/41/409641141.db2.gz XZLWHASXEOOWSD-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[C@H]1CCC[N@H+](CC(=C)C)C1 661377499 409641261 /nfs/dbraw/zinc/64/12/61/409641261.db2.gz OHPCDCVADPUWGW-LBPRGKRZSA-N 1 1 179.307 2.851 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](CC(=C)C)C1 661377498 409641279 /nfs/dbraw/zinc/64/12/79/409641279.db2.gz OHPCDCVADPUWGW-GFCCVEGCSA-N 1 1 179.307 2.851 20 30 AFEDMO C=CC[C@H]1CCC[N@@H+](CC2CC2)C1 661380954 409641693 /nfs/dbraw/zinc/64/16/93/409641693.db2.gz RVEUZZIZKTVTNH-NSHDSACASA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](CC(C)C)C1 661379378 409642446 /nfs/dbraw/zinc/64/24/46/409642446.db2.gz XQIOZIQQEZSZSO-GFCCVEGCSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[C@H]1CCC[N@H+](CC(C)C)C1 661379379 409642759 /nfs/dbraw/zinc/64/27/59/409642759.db2.gz XQIOZIQQEZSZSO-LBPRGKRZSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 661514075 409646252 /nfs/dbraw/zinc/64/62/52/409646252.db2.gz WMJXWYNYHJNAOF-GFCCVEGCSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 661514075 409646260 /nfs/dbraw/zinc/64/62/60/409646260.db2.gz WMJXWYNYHJNAOF-GFCCVEGCSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CC[N@H+]1CC[C@H]1c1ccc(F)cc1 661514076 409646678 /nfs/dbraw/zinc/64/66/78/409646678.db2.gz WMJXWYNYHJNAOF-LBPRGKRZSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 661514076 409646683 /nfs/dbraw/zinc/64/66/83/409646683.db2.gz WMJXWYNYHJNAOF-LBPRGKRZSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CC[N@H+](CCOC(C)C)C(C)(C)C 661755532 409657952 /nfs/dbraw/zinc/65/79/52/409657952.db2.gz NVTUPSMYRRVZBQ-UHFFFAOYSA-N 1 1 199.338 2.698 20 30 AFEDMO C=CC[N@H+](CCCCOC)C(C)(C)C 661756310 409658245 /nfs/dbraw/zinc/65/82/45/409658245.db2.gz JPQYZYICHWDABC-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CC[N@H+](CCCF)C(C)(C)C 661756300 409658844 /nfs/dbraw/zinc/65/88/44/409658844.db2.gz JIWLOOHJOABZPV-UHFFFAOYSA-N 1 1 173.275 2.633 20 30 AFEDMO C=CC[N@H+](CCC)C(C)(C)C 661755427 409660172 /nfs/dbraw/zinc/66/01/72/409660172.db2.gz QNWRVJKJPDTWAM-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CC[N@@H+](CC1CC1)C(C)(C)C 661756438 409662503 /nfs/dbraw/zinc/66/25/03/409662503.db2.gz PARQXSXUCHSJOX-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](C[C@@H](CC)OC)C(C)(C)C 661758860 409663680 /nfs/dbraw/zinc/66/36/80/409663680.db2.gz XBTFTQLJKDBWEM-LLVKDONJSA-N 1 1 199.338 2.698 20 30 AFEDMO C=CC[N@H+](CCC#CC)C(C)(C)C 661760739 409663732 /nfs/dbraw/zinc/66/37/32/409663732.db2.gz YMLCXEXLBSGQAI-UHFFFAOYSA-N 1 1 179.307 2.686 20 30 AFEDMO C=CC[N@H+](C[C@H](CC)OC)C(C)(C)C 661758861 409664147 /nfs/dbraw/zinc/66/41/47/409664147.db2.gz XBTFTQLJKDBWEM-NSHDSACASA-N 1 1 199.338 2.698 20 30 AFEDMO CC#CCC[N@H+]1C[C@H](CC)CC[C@H]1C 661861100 409669057 /nfs/dbraw/zinc/66/90/57/409669057.db2.gz MOOPCTDPLHHLCT-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO C=CC[N@H+]1C[C@H](CC)CC[C@H]1C 661861836 409669554 /nfs/dbraw/zinc/66/95/54/409669554.db2.gz XVURKFBKDKBBDB-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCCC[N@H+]1CC[C@@H]2C[C@@H]2C1 661966002 409670076 /nfs/dbraw/zinc/67/00/76/409670076.db2.gz CWRAZVPRSNDNII-VXGBXAGGSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CCCCC[N@H+]1CC[C@H]2C[C@H]2C1 661966001 409670331 /nfs/dbraw/zinc/67/03/31/409670331.db2.gz CWRAZVPRSNDNII-RYUDHWBXSA-N 1 1 179.307 2.685 20 30 AFEDMO CC#CC[N@H+]1C[C@H](CC)CC[C@H]1C 661860531 409670535 /nfs/dbraw/zinc/67/05/35/409670535.db2.gz DDIVXDNLSMBRPF-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@@H+]1[C@@H](C)CCC[C@H]1CC 662158765 409692834 /nfs/dbraw/zinc/69/28/34/409692834.db2.gz XGQPQHNAKAAXKV-NWDGAFQWSA-N 1 1 179.307 2.663 20 30 AFEDMO C=C(CC)C[N@@H+](C)CC1=CCSC1 662263292 409707076 /nfs/dbraw/zinc/70/70/76/409707076.db2.gz IZVDYNQMLMTDMP-UHFFFAOYSA-N 1 1 197.347 2.558 20 30 AFEDMO C=CCCC[N@H+](C)CC1=CCSC1 662269078 409707880 /nfs/dbraw/zinc/70/78/80/409707880.db2.gz WSVWALFVNFAXID-UHFFFAOYSA-N 1 1 197.347 2.558 20 30 AFEDMO C=CCC[N@H+](C)C[C@@H]1CC1(C)C 662343900 409720075 /nfs/dbraw/zinc/72/00/75/409720075.db2.gz NPPSHDOPRJWNFB-JTQLQIEISA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCC[N@H+](C)C[C@H]1CC1(C)C 662343902 409721307 /nfs/dbraw/zinc/72/13/07/409721307.db2.gz NPPSHDOPRJWNFB-SNVBAGLBSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCCC[N@H+](C)C[C@H]1CC1(C)C 662346843 409722550 /nfs/dbraw/zinc/72/25/50/409722550.db2.gz WCTMCGVPSIQUII-LLVKDONJSA-N 1 1 181.323 2.931 20 30 AFEDMO CC#CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 662377369 409723065 /nfs/dbraw/zinc/72/30/65/409723065.db2.gz YTIICVNQBFHFHR-STQMWFEESA-N 1 1 191.318 2.664 20 30 AFEDMO C=CCCC[N@H+](C)C[C@@H]1CC1(C)C 662346844 409724029 /nfs/dbraw/zinc/72/40/29/409724029.db2.gz WCTMCGVPSIQUII-NSHDSACASA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@@H+](C)C[C@H]1CC1(C)C 662347053 409724043 /nfs/dbraw/zinc/72/40/43/409724043.db2.gz YDSIRCNWIHMYAE-SNVBAGLBSA-N 1 1 167.296 2.540 20 30 AFEDMO C=C(C)C[N@@H+](C)C[C@@H]1CC1(C)C 662347052 409724537 /nfs/dbraw/zinc/72/45/37/409724537.db2.gz YDSIRCNWIHMYAE-JTQLQIEISA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@H+](CC1(C)CCC1)C1CC1 308430094 409724745 /nfs/dbraw/zinc/72/47/45/409724745.db2.gz ZESLHPNZRSDJOW-UHFFFAOYSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(CC)C[NH2+][C@@H](C)c1cscn1 313489912 409778879 /nfs/dbraw/zinc/77/88/79/409778879.db2.gz UKNROSVVYFNETF-VIFPVBQESA-N 1 1 196.319 2.760 20 30 AFEDMO C=C(CC)C[NH2+][C@H](C)c1cscn1 313489911 409779388 /nfs/dbraw/zinc/77/93/88/409779388.db2.gz UKNROSVVYFNETF-SECBINFHSA-N 1 1 196.319 2.760 20 30 AFEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCCC#N)C1 336184434 409795594 /nfs/dbraw/zinc/79/55/94/409795594.db2.gz ZHWGFOFJXVYICI-VXGBXAGGSA-N 1 1 194.322 2.801 20 30 AFEDMO C=CC[N@H+](C)[C@H]1C=CCCCCC1 378856407 409804739 /nfs/dbraw/zinc/80/47/39/409804739.db2.gz KQYQEFALGVHPIA-LBPRGKRZSA-N 1 1 179.307 2.993 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1C=CCCCCC1 378856406 409806271 /nfs/dbraw/zinc/80/62/71/409806271.db2.gz KQYQEFALGVHPIA-GFCCVEGCSA-N 1 1 179.307 2.993 20 30 AFEDMO CC#CC[N@@H+](C)C[C@@H](C)CC(C)C 378869200 409812048 /nfs/dbraw/zinc/81/20/48/409812048.db2.gz JJRAZUTUFAEPMC-LBPRGKRZSA-N 1 1 181.323 2.624 20 30 AFEDMO CC#CC[N@@H+](C)C[C@H](C)CC(C)C 378869199 409813675 /nfs/dbraw/zinc/81/36/75/409813675.db2.gz JJRAZUTUFAEPMC-GFCCVEGCSA-N 1 1 181.323 2.624 20 30 AFEDMO C=C(C)C[N@@H+]1CC(C)(C)C[C@H]1C 665220334 409848597 /nfs/dbraw/zinc/84/85/97/409848597.db2.gz OWMRWVHINLICDG-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CC(C)(C)C[C@@H]1C 665220333 409849480 /nfs/dbraw/zinc/84/94/80/409849480.db2.gz OWMRWVHINLICDG-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO CC#CCC[N@H+]1CC(C)(C)C[C@@H]1C 665221905 409852458 /nfs/dbraw/zinc/85/24/58/409852458.db2.gz QCSHYSATHNDGPP-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@H+]1CC(C)(C)C[C@H]1C 665221904 409853638 /nfs/dbraw/zinc/85/36/38/409853638.db2.gz QCSHYSATHNDGPP-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCC[N@@H+]1CC(C)(C)C[C@H]1C 665221202 409854232 /nfs/dbraw/zinc/85/42/32/409854232.db2.gz JEORNQWSRWRZQP-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@@H+]1CC(C)(C)C[C@@H]1C 665221201 409854247 /nfs/dbraw/zinc/85/42/47/409854247.db2.gz JEORNQWSRWRZQP-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@H+](CC)Cc1occc1C 665239528 409856813 /nfs/dbraw/zinc/85/68/13/409856813.db2.gz OGYMHECGHJQRKP-UHFFFAOYSA-N 1 1 193.290 2.986 20 30 AFEDMO C=CCC[N@H+]1CC[C@@H](C2CCC2)C1 665286583 409868258 /nfs/dbraw/zinc/86/82/58/409868258.db2.gz PLMHYAWUOTUXIM-GFCCVEGCSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CCC[N@H+]1CC[C@H](C2CCC2)C1 665286584 409870540 /nfs/dbraw/zinc/87/05/40/409870540.db2.gz PLMHYAWUOTUXIM-LBPRGKRZSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[N@H+](C1CCCCC1)C1CC1 388732123 409961117 /nfs/dbraw/zinc/96/11/17/409961117.db2.gz VPWBJQCSCCYAFC-UHFFFAOYSA-N 1 1 179.307 2.970 20 30 AFEDMO CC#CC[N@H+](C)CCC(C)(C)CC 393529926 409987778 /nfs/dbraw/zinc/98/77/78/409987778.db2.gz WGRUDJBMPCSOAD-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO C=C(C)C[N@@H+](C1CC1)[C@H](C)C1CC1 393727013 409990374 /nfs/dbraw/zinc/99/03/74/409990374.db2.gz XDICZVBILLZXML-SNVBAGLBSA-N 1 1 179.307 2.825 20 30 AFEDMO C=C(C)C[N@@H+](C1CC1)[C@@H](C)C1CC1 393727012 409991002 /nfs/dbraw/zinc/99/10/02/409991002.db2.gz XDICZVBILLZXML-JTQLQIEISA-N 1 1 179.307 2.825 20 30 AFEDMO CC#CC[N@@H+](C)CCCC(C)(C)C 393917055 409992561 /nfs/dbraw/zinc/99/25/61/409992561.db2.gz WMOXSIGSALNQCO-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO C=CCCCC[N@H+](C)CC1CC1 649250057 410180014 /nfs/dbraw/zinc/18/00/14/410180014.db2.gz RXDIPTKQOFBCOO-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCCC[N@H+](CC)C1CC1 649244666 410180294 /nfs/dbraw/zinc/18/02/94/410180294.db2.gz SBFPTDINKIFXMK-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCCC[N@H+](C)CCC 649271183 410182760 /nfs/dbraw/zinc/18/27/60/410182760.db2.gz IUERZMVDARPGLG-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=CCCCC[N@@H+]1CC[C@H](C)C1 649278376 410183600 /nfs/dbraw/zinc/18/36/00/410183600.db2.gz RDTMXVAMCPCDRR-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCCC[N@H+]1CCS[C@H](C)C1 649286212 410183828 /nfs/dbraw/zinc/18/38/28/410183828.db2.gz GDHIWYWXWOTOKS-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCCC[N@@H+]1CC[C@@H](C)C1 649278375 410184223 /nfs/dbraw/zinc/18/42/23/410184223.db2.gz RDTMXVAMCPCDRR-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCCC[N@H+](C)CC(C)C 649258691 410184318 /nfs/dbraw/zinc/18/43/18/410184318.db2.gz KZDCIFKEHNEXPA-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCCCC[N@@H+]1CCSC[C@H]1C 649319497 410187545 /nfs/dbraw/zinc/18/75/45/410187545.db2.gz LNKBAABHZTXUCJ-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 649323445 410187613 /nfs/dbraw/zinc/18/76/13/410187613.db2.gz NBLUQYYDHQISGE-TXEJJXNPSA-N 1 1 193.334 2.931 20 30 AFEDMO C=CCCCCn1c[nH+]c(C)c1C 649311614 410187649 /nfs/dbraw/zinc/18/76/49/410187649.db2.gz WTXNAALFNARQTE-UHFFFAOYSA-N 1 1 178.279 2.856 20 30 AFEDMO C=CCCCC[N@@H+]1CCSC[C@@H]1C 649319498 410188211 /nfs/dbraw/zinc/18/82/11/410188211.db2.gz LNKBAABHZTXUCJ-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCCC[N@H+](CC)CCOCC 649302582 410188244 /nfs/dbraw/zinc/18/82/44/410188244.db2.gz ILRQJUWNWPDXGJ-UHFFFAOYSA-N 1 1 199.338 2.701 20 30 AFEDMO C=CCCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 649332167 410191516 /nfs/dbraw/zinc/19/15/16/410191516.db2.gz UICNXEPOBZKYPD-TXEJJXNPSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCCCC[N@H+](C)[C@@H]1CCSC1 649397263 410192484 /nfs/dbraw/zinc/19/24/84/410192484.db2.gz ZVACUBRRKQAKDO-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCCC[N@H+](C)[C@H]1CCSC1 649397264 410192620 /nfs/dbraw/zinc/19/26/20/410192620.db2.gz ZVACUBRRKQAKDO-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCCC[N@@H+]1CC=C(C)CC1 649396877 410193194 /nfs/dbraw/zinc/19/31/94/410193194.db2.gz VHNAUCNNGRVFCT-UHFFFAOYSA-N 1 1 179.307 2.995 20 30 AFEDMO C=CCCCC[N@@H+](CC=C)C1CC1 649407402 410195262 /nfs/dbraw/zinc/19/52/62/410195262.db2.gz LKSOVCMBDPKVTG-UHFFFAOYSA-N 1 1 179.307 2.993 20 30 AFEDMO C=CCCCCn1cc[nH+]c1C 649396828 410193734 /nfs/dbraw/zinc/19/37/34/410193734.db2.gz KDUUMICKOWGBTC-UHFFFAOYSA-N 1 1 164.252 2.548 20 30 AFEDMO C=CCCCC[N@H+](C)CC(=C)C 649416341 410195017 /nfs/dbraw/zinc/19/50/17/410195017.db2.gz NEIFBRFGTHQJKP-UHFFFAOYSA-N 1 1 167.296 2.851 20 30 AFEDMO C=CCCCC[N@@H+]1CC=CCC1 649417279 410197242 /nfs/dbraw/zinc/19/72/42/410197242.db2.gz QAHAAXJKFYUBKM-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO C=CCCCC[N@@H+]1CCC=C(F)C1 649407349 410198091 /nfs/dbraw/zinc/19/80/91/410198091.db2.gz ZIYGYFZWWIVMIX-UHFFFAOYSA-N 1 1 183.270 2.902 20 30 AFEDMO C=CC[N@@H+](C)CCC1=CCCCC1 649455728 410204371 /nfs/dbraw/zinc/20/43/71/410204371.db2.gz OPTRKDYLMSGLBC-UHFFFAOYSA-N 1 1 179.307 2.995 20 30 AFEDMO C=CCCCC[N@H+](C)CCC=C 649471450 410205016 /nfs/dbraw/zinc/20/50/16/410205016.db2.gz UYUAKQNXXIFIMI-UHFFFAOYSA-N 1 1 167.296 2.851 20 30 AFEDMO C=CC[N@H+](CCOC)[C@@H](C)CC(C)C 649482892 410206919 /nfs/dbraw/zinc/20/69/19/410206919.db2.gz OWEIIQXLCJIUHI-LBPRGKRZSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CC[N@H+](CCOC)[C@H](C)CC(C)C 649482891 410207184 /nfs/dbraw/zinc/20/71/84/410207184.db2.gz OWEIIQXLCJIUHI-GFCCVEGCSA-N 1 1 199.338 2.555 20 30 AFEDMO C=CCCCCn1cc[nH+]c1CC 649528083 410211440 /nfs/dbraw/zinc/21/14/40/410211440.db2.gz KJCWCYJOEUJGNO-UHFFFAOYSA-N 1 1 178.279 2.802 20 30 AFEDMO C=CCCCC[N@H+](CC)C[C@H](C)OC 649636568 410217133 /nfs/dbraw/zinc/21/71/33/410217133.db2.gz POTXASVIVCTBRO-LBPRGKRZSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CCCCC[N@H+](CC)C[C@@H](C)OC 649636567 410219036 /nfs/dbraw/zinc/21/90/36/410219036.db2.gz POTXASVIVCTBRO-GFCCVEGCSA-N 1 1 199.338 2.700 20 30 AFEDMO CC#CC[N@@H+](C)CCC1=CCCCC1 649655393 410223218 /nfs/dbraw/zinc/22/32/18/410223218.db2.gz OUVBOXWTSOEZLS-UHFFFAOYSA-N 1 1 191.318 2.832 20 30 AFEDMO C=CC[N@@H+](C)CCc1ccccc1C 649732708 410229708 /nfs/dbraw/zinc/22/97/08/410229708.db2.gz JOKJUZDUJBJLQX-UHFFFAOYSA-N 1 1 189.302 2.655 20 30 AFEDMO C=CCCCCC[N@@H+]1CC[C@H](F)C1 649940612 410247470 /nfs/dbraw/zinc/24/74/70/410247470.db2.gz LGNCBBIPLFDGDA-NSHDSACASA-N 1 1 185.286 2.777 20 30 AFEDMO C=CCCCCC[N@@H+]1CC[C@@H](F)C1 649946042 410251704 /nfs/dbraw/zinc/25/17/04/410251704.db2.gz LGNCBBIPLFDGDA-LLVKDONJSA-N 1 1 185.286 2.777 20 30 AFEDMO C=C(C)C[N@H+]1C[C@H]2CCCC[C@H]2C1 650013920 410252909 /nfs/dbraw/zinc/25/29/09/410252909.db2.gz MLPLYERKZQYHDL-TXEJJXNPSA-N 1 1 179.307 2.685 20 30 AFEDMO CC#CCC[N@H+]1C[C@H]2CCCC[C@H]2C1 650016763 410253318 /nfs/dbraw/zinc/25/33/18/410253318.db2.gz QCFXBNOJZFSSKD-BETUJISGSA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(C)C[N@H+]1[C@H](C)CCC1(C)C 650287034 410262769 /nfs/dbraw/zinc/26/27/69/410262769.db2.gz LLFKLMNEYAILBF-SNVBAGLBSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CC[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 650312274 410263027 /nfs/dbraw/zinc/26/30/27/410263027.db2.gz DHLFKQCSQKBPPN-MROQNXINSA-N 1 1 191.318 2.540 20 30 AFEDMO C=CC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 650312275 410263213 /nfs/dbraw/zinc/26/32/13/410263213.db2.gz DHLFKQCSQKBPPN-YVECIDJPSA-N 1 1 191.318 2.540 20 30 AFEDMO C=CCC[N@H+]1[C@@H](C)CCC1(C)C 650287031 410263333 /nfs/dbraw/zinc/26/33/33/410263333.db2.gz KGMSAWDUDGHPSF-JTQLQIEISA-N 1 1 167.296 2.825 20 30 AFEDMO C=CCC[N@H+]1[C@H](C)CCC1(C)C 650287032 410263625 /nfs/dbraw/zinc/26/36/25/410263625.db2.gz KGMSAWDUDGHPSF-SNVBAGLBSA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(C)C[N@H+]1[C@@H](C)CCC1(C)C 650287033 410264210 /nfs/dbraw/zinc/26/42/10/410264210.db2.gz LLFKLMNEYAILBF-JTQLQIEISA-N 1 1 167.296 2.825 20 30 AFEDMO Cc1c(Cl)cccc1[C@H]([NH3+])CC#N 104684941 573184627 /nfs/dbraw/zinc/18/46/27/573184627.db2.gz KKUMWOWBNUYRBG-SNVBAGLBSA-N 1 1 194.665 2.562 20 30 AFEDMO C#CC[N@@H+](CC)CCCC(C)(C)C 388690019 573479263 /nfs/dbraw/zinc/47/92/63/573479263.db2.gz KPJIGQUWODJDJC-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO Cc1ccc(Cl)c([C@@H]([NH3+])CC#N)c1 238481415 573697190 /nfs/dbraw/zinc/69/71/90/573697190.db2.gz PTRUZXCEABUJAL-JTQLQIEISA-N 1 1 194.665 2.562 20 30 AFEDMO C[C@@H]1C[N@@H+](CCCCC#N)C(C)(C)C1 308426362 573732126 /nfs/dbraw/zinc/73/21/26/573732126.db2.gz SSDYYEIEGVUPNQ-NSHDSACASA-N 1 1 194.322 2.801 20 30 AFEDMO C=C(Cl)C[NH2+]Cc1cc(C)oc1C 127671189 573902940 /nfs/dbraw/zinc/90/29/40/573902940.db2.gz OQGYYQYOAGBASK-UHFFFAOYSA-N 1 1 199.681 2.739 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C)CC1 306755052 629672396 /nfs/dbraw/zinc/67/23/96/629672396.db2.gz KPNSDZVCWLMXMT-VIFPVBQESA-N 1 1 187.714 2.861 20 30 AFEDMO C#CCC[N@H+]1C[C@H](CC)CC[C@H]1C 306735670 629674231 /nfs/dbraw/zinc/67/42/31/629674231.db2.gz WKHCDCRTQQLEOS-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](C)C1 306362645 629692915 /nfs/dbraw/zinc/69/29/15/629692915.db2.gz UJEWGBJKBIHATM-DTWKUNHWSA-N 1 1 187.714 2.717 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H]1C(C)(C)C 307155603 629751139 /nfs/dbraw/zinc/75/11/39/629751139.db2.gz FBZGYCKISYUIJN-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@@H+]1C[C@H](C)CC1(C)C 307749221 629810715 /nfs/dbraw/zinc/81/07/15/629810715.db2.gz FVBDFARKWZTXDN-MRVPVSSYSA-N 1 1 187.714 2.859 20 30 AFEDMO CC[C@H](C)C[N@@H+](CCC#N)CC(C)C 50424534 629818857 /nfs/dbraw/zinc/81/88/57/629818857.db2.gz SNUFVXJTEOKWNE-LBPRGKRZSA-N 1 1 196.338 2.904 20 30 AFEDMO CC[C@@H](C)C[N@@H+](CCC#N)CC(C)C 50424532 629819879 /nfs/dbraw/zinc/81/98/79/629819879.db2.gz SNUFVXJTEOKWNE-GFCCVEGCSA-N 1 1 196.338 2.904 20 30 AFEDMO C=CC[N@@H+](C/C=C\Cl)C(C)C 307903859 629822001 /nfs/dbraw/zinc/82/20/01/629822001.db2.gz PXUUODQMTOTRKL-WAYWQWQTSA-N 1 1 173.687 2.635 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1C 306448806 629827398 /nfs/dbraw/zinc/82/73/98/629827398.db2.gz XGESZQNYLNVUHD-VIFPVBQESA-N 1 1 173.687 2.613 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C)CC1 306755049 629831282 /nfs/dbraw/zinc/83/12/82/629831282.db2.gz KPNSDZVCWLMXMT-SECBINFHSA-N 1 1 187.714 2.861 20 30 AFEDMO C=CC[N@@H+](C[C@H]1C[C@@H]1C)C(C)C 308120923 629834998 /nfs/dbraw/zinc/83/49/98/629834998.db2.gz PRSSRIUOCKJYGN-WDEREUQCSA-N 1 1 167.296 2.539 20 30 AFEDMO C=CC[N@@H+](C[C@@H]1C[C@@H]1C)C(C)C 308120922 629836524 /nfs/dbraw/zinc/83/65/24/629836524.db2.gz PRSSRIUOCKJYGN-QWRGUYRKSA-N 1 1 167.296 2.539 20 30 AFEDMO C=CC[N@@H+](C[C@@H]1C[C@H]1C)C(C)C 308120921 629836827 /nfs/dbraw/zinc/83/68/27/629836827.db2.gz PRSSRIUOCKJYGN-MNOVXSKESA-N 1 1 167.296 2.539 20 30 AFEDMO C#C[C@H](C)[N@H+](C)C[C@H](C)CC(C)C 308168559 629841984 /nfs/dbraw/zinc/84/19/84/629841984.db2.gz YOJDZWLNBOWCAV-NEPJUHHUSA-N 1 1 181.323 2.622 20 30 AFEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C 308275621 629849468 /nfs/dbraw/zinc/84/94/68/629849468.db2.gz UYBZUMYJTLQVQA-MNOVXSKESA-N 1 1 181.323 2.622 20 30 AFEDMO C#C[C@H](C)[N@H+](C)C[C@H](C)C(C)(C)C 308275623 629850923 /nfs/dbraw/zinc/85/09/23/629850923.db2.gz UYBZUMYJTLQVQA-QWRGUYRKSA-N 1 1 181.323 2.622 20 30 AFEDMO C#CC[N@@H+](C1CC1)[C@H](C)[C@@H](C)CC 308318405 629857601 /nfs/dbraw/zinc/85/76/01/629857601.db2.gz XDDOTFIBQSUWOZ-WDEREUQCSA-N 1 1 179.307 2.519 20 30 AFEDMO C#CC[N@H+](CCCCCC)C1CC1 308355135 629860370 /nfs/dbraw/zinc/86/03/70/629860370.db2.gz KLKFWKHJSQZLDQ-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CC[N@@H+](C)CCC1CCCCC1 308499794 629864690 /nfs/dbraw/zinc/86/46/90/629864690.db2.gz WCKYQAOLTMHENY-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CC[N@H+](C)CCCCCC 39082413 629880346 /nfs/dbraw/zinc/88/03/46/629880346.db2.gz IHZRTJKMVVGKNI-UHFFFAOYSA-N 1 1 167.296 2.522 20 30 AFEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccoc1 161744175 629943280 /nfs/dbraw/zinc/94/32/80/629943280.db2.gz GYNMKDFOUAPDEZ-QMMMGPOBSA-N 1 1 185.654 2.683 20 30 AFEDMO C=C(Cl)C[NH2+][C@H](C)c1ccoc1 161744276 629943381 /nfs/dbraw/zinc/94/33/81/629943381.db2.gz GYNMKDFOUAPDEZ-MRVPVSSYSA-N 1 1 185.654 2.683 20 30 AFEDMO C=C(C)CC[N@H+]1CC[C@@H](C2CC2)C1 393726458 629946682 /nfs/dbraw/zinc/94/66/82/629946682.db2.gz UCSAAIYKYHMMRD-GFCCVEGCSA-N 1 1 179.307 2.685 20 30 AFEDMO C=C(C)CC[N@H+]1CC[C@H](C2CC2)C1 393726459 629948942 /nfs/dbraw/zinc/94/89/42/629948942.db2.gz UCSAAIYKYHMMRD-LBPRGKRZSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[N@@H+](C[C@H]1C[C@H]1C)C(C)C 308120920 629985599 /nfs/dbraw/zinc/98/55/99/629985599.db2.gz PRSSRIUOCKJYGN-GHMZBOCLSA-N 1 1 167.296 2.539 20 30 AFEDMO C=CCCCCC[N@@H+](C)CCF 308176202 629992744 /nfs/dbraw/zinc/99/27/44/629992744.db2.gz ZIXZXUGVSXZEDW-UHFFFAOYSA-N 1 1 173.275 2.634 20 30 AFEDMO C=C(Cl)C[N@@H+](C)CC1CCCC1 308161047 629993837 /nfs/dbraw/zinc/99/38/37/629993837.db2.gz RIJULHVACJAJHB-UHFFFAOYSA-N 1 1 187.714 2.861 20 30 AFEDMO C#CCCC[N@H+](CC)C(CC)CC 308216851 630002393 /nfs/dbraw/zinc/00/23/93/630002393.db2.gz JRWWIYUMSMRENP-UHFFFAOYSA-N 1 1 181.323 2.910 20 30 AFEDMO C#CCCC[N@H+](CCC)CC(C)C 308209444 630003905 /nfs/dbraw/zinc/00/39/05/630003905.db2.gz KIKSMIQNWGPUGD-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO C#C[C@H](C)[N@H+](C)CCC(C)(C)CC 308307152 630009736 /nfs/dbraw/zinc/00/97/36/630009736.db2.gz OZBUVJOCXPVMGD-NSHDSACASA-N 1 1 181.323 2.766 20 30 AFEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 82493874 630039724 /nfs/dbraw/zinc/03/97/24/630039724.db2.gz ASEYEMPWSKMOKI-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+]1CCC[C@@H]1C1CCCC1 82493982 630041035 /nfs/dbraw/zinc/04/10/35/630041035.db2.gz JKRLKPFWZXNVQP-CYBMUJFWSA-N 1 1 191.318 2.664 20 30 AFEDMO C#CCC[N@H+](C)[C@H]1CCCC[C@@H]1C 82493940 630041223 /nfs/dbraw/zinc/04/12/23/630041223.db2.gz IGIISSMELISXBK-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)[C@H]1CCCC[C@H]1C 82493939 630041275 /nfs/dbraw/zinc/04/12/75/630041275.db2.gz IGIISSMELISXBK-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 82493871 630041341 /nfs/dbraw/zinc/04/13/41/630041341.db2.gz ASEYEMPWSKMOKI-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)[C@@H]1CCCC[C@@H]1C 82493943 630041852 /nfs/dbraw/zinc/04/18/52/630041852.db2.gz IGIISSMELISXBK-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC(C)(C)[N@@H+](C)CC1(C)CCC1 306398686 630103431 /nfs/dbraw/zinc/10/34/31/630103431.db2.gz JOKYOEYRFVBAMK-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@H+]1CCC2(CCC2)C1 306529160 630118513 /nfs/dbraw/zinc/11/85/13/630118513.db2.gz FFOWRPDROCJUNW-UHFFFAOYSA-N 1 1 185.698 2.615 20 30 AFEDMO N#CCCC[N@H+]1CCC2(CCCC2)C1 306674034 630129655 /nfs/dbraw/zinc/12/96/55/630129655.db2.gz PEJVEPHFCGYZAF-UHFFFAOYSA-N 1 1 192.306 2.556 20 30 AFEDMO C=C(Cl)Cn1c[nH+]c2c1CCCC2 124058319 630193692 /nfs/dbraw/zinc/19/36/92/630193692.db2.gz UQJORLKSXUGCMJ-UHFFFAOYSA-N 1 1 196.681 2.514 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H](CC)CC1 70614051 630195536 /nfs/dbraw/zinc/19/55/36/630195536.db2.gz PTODASBDCXFLIV-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H](C(C)C)CC1 70614055 630195698 /nfs/dbraw/zinc/19/56/98/630195698.db2.gz NKIBSMXXEBEVEQ-CYBMUJFWSA-N 1 1 193.334 2.768 20 30 AFEDMO C=C(Cl)C[N@H+]1CCCC2(CC2)C1 306504404 630244569 /nfs/dbraw/zinc/24/45/69/630244569.db2.gz REGNWPIWJPOREM-UHFFFAOYSA-N 1 1 185.698 2.615 20 30 AFEDMO C#CC[N@@H+]1CCCC[C@@H]1[C@H](C)CC 306291212 630246052 /nfs/dbraw/zinc/24/60/52/630246052.db2.gz QSQKCCDPQGCPNL-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 306362647 630246631 /nfs/dbraw/zinc/24/66/31/630246631.db2.gz UJEWGBJKBIHATM-RKDXNWHRSA-N 1 1 187.714 2.717 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 306362644 630246828 /nfs/dbraw/zinc/24/68/28/630246828.db2.gz UJEWGBJKBIHATM-BDAKNGLRSA-N 1 1 187.714 2.717 20 30 AFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=C)Cl 307712061 630249981 /nfs/dbraw/zinc/24/99/81/630249981.db2.gz WCBLOUFVXQNCJD-SNVBAGLBSA-N 1 1 185.698 2.779 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=C)Cl 307712061 630249982 /nfs/dbraw/zinc/24/99/82/630249982.db2.gz WCBLOUFVXQNCJD-SNVBAGLBSA-N 1 1 185.698 2.779 20 30 AFEDMO C#CCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 82493875 630454487 /nfs/dbraw/zinc/45/44/87/630454487.db2.gz ASEYEMPWSKMOKI-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)C1CCC(CC)CC1 82493880 630454587 /nfs/dbraw/zinc/45/45/87/630454587.db2.gz CQMXUQOHXAWDGR-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@H+](C)[C@@H](C)c1cccs1 82493897 630455033 /nfs/dbraw/zinc/45/50/33/630455033.db2.gz XJUWTOMTJWCEOA-JTQLQIEISA-N 1 1 193.315 2.764 20 30 AFEDMO C#CC[N@@H+](CC(C)C)C(CC)CC 86453593 630456392 /nfs/dbraw/zinc/45/63/92/630456392.db2.gz OYQVQGFVDLBVNW-UHFFFAOYSA-N 1 1 181.323 2.766 20 30 AFEDMO C#CC[N@H+](C)C1CCC(C)(C)CC1 87287592 630481919 /nfs/dbraw/zinc/48/19/19/630481919.db2.gz RGEQKEOLQSLKSM-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)C1CCC(C)(C)CC1 87287591 630482023 /nfs/dbraw/zinc/48/20/23/630482023.db2.gz MAPXITQARCDTPY-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](C)[C@H]1CCCC[C@H]1C 163556249 630507507 /nfs/dbraw/zinc/50/75/07/630507507.db2.gz QLWLQPGVIKQZAP-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](C)[C@@H]1CCCC[C@H]1C 163556453 630507776 /nfs/dbraw/zinc/50/77/76/630507776.db2.gz QLWLQPGVIKQZAP-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](C)[C@@H]1CCCC[C@@H]1C 163556553 630507949 /nfs/dbraw/zinc/50/79/49/630507949.db2.gz QLWLQPGVIKQZAP-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+](C)[C@H]1CCCC[C@@H]1C 163556351 630750566 /nfs/dbraw/zinc/75/05/66/630750566.db2.gz QLWLQPGVIKQZAP-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@H+](C)[C@H](C)C1CCCCC1 31555283 630769215 /nfs/dbraw/zinc/76/92/15/630769215.db2.gz MHLKPSPQFYMKOR-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](C)[C@@H](C)C1CCCCC1 31555282 630771181 /nfs/dbraw/zinc/77/11/81/630771181.db2.gz MHLKPSPQFYMKOR-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 917053122 630787969 /nfs/dbraw/zinc/78/79/69/630787969.db2.gz LYTKWOIXNZOUSL-AVGNSLFASA-N 1 1 191.318 2.520 20 30 AFEDMO C#CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 917053125 630788002 /nfs/dbraw/zinc/78/80/02/630788002.db2.gz LYTKWOIXNZOUSL-YNEHKIRRSA-N 1 1 191.318 2.520 20 30 AFEDMO C#CC[N@@H+](CC1CCCCC1)C1CC1 917072815 630788273 /nfs/dbraw/zinc/78/82/73/630788273.db2.gz RQOJIIZGAMOWGT-UHFFFAOYSA-N 1 1 191.318 2.664 20 30 AFEDMO C#CC[N@@H+]1CCC[C@H]1c1ccccc1C 917070663 630788972 /nfs/dbraw/zinc/78/89/72/630788972.db2.gz XRQHGUJDIFBWMG-AWEZNQCLSA-N 1 1 199.297 2.765 20 30 AFEDMO C=CC[N@@H+](Cc1ccc(C)o1)C(C)C 917067552 630789060 /nfs/dbraw/zinc/78/90/60/630789060.db2.gz MKESFQYYFPYWEP-UHFFFAOYSA-N 1 1 193.290 2.984 20 30 AFEDMO C#CC[N@H+](CC)[C@@H]1CCc2ccccc21 917118010 630789322 /nfs/dbraw/zinc/78/93/22/630789322.db2.gz ZMRGXXFMPRCALC-CQSZACIVSA-N 1 1 199.297 2.629 20 30 AFEDMO C#CC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 917053124 630790129 /nfs/dbraw/zinc/79/01/29/630790129.db2.gz LYTKWOIXNZOUSL-XQQFMLRXSA-N 1 1 191.318 2.520 20 30 AFEDMO C#CC[N@H+](C1CCC(C)CC1)C1CC1 917064716 630790539 /nfs/dbraw/zinc/79/05/39/630790539.db2.gz IGESQTVHXYJXRO-UHFFFAOYSA-N 1 1 191.318 2.663 20 30 AFEDMO C#CC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 917053123 630790591 /nfs/dbraw/zinc/79/05/91/630790591.db2.gz LYTKWOIXNZOUSL-RWMBFGLXSA-N 1 1 191.318 2.520 20 30 AFEDMO C#CC[N@@H+]1CCC[C@@H]1c1ccccc1C 917070665 630790931 /nfs/dbraw/zinc/79/09/31/630790931.db2.gz XRQHGUJDIFBWMG-CQSZACIVSA-N 1 1 199.297 2.765 20 30 AFEDMO C#CC[N@H+](CC)[C@H]1CCc2ccccc21 917118008 630790963 /nfs/dbraw/zinc/79/09/63/630790963.db2.gz ZMRGXXFMPRCALC-AWEZNQCLSA-N 1 1 199.297 2.629 20 30 AFEDMO C#CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 917834079 630800176 /nfs/dbraw/zinc/80/01/76/630800176.db2.gz QOJUEHDYEHTLLQ-AWEZNQCLSA-N 1 1 199.297 2.765 20 30 AFEDMO C#CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 917834080 630800679 /nfs/dbraw/zinc/80/06/79/630800679.db2.gz QOJUEHDYEHTLLQ-CQSZACIVSA-N 1 1 199.297 2.765 20 30 AFEDMO C#CC[N@H+](CCC)CC1CCCCC1 918742118 630808040 /nfs/dbraw/zinc/80/80/40/630808040.db2.gz WSPZERKHNWWDSU-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C#CCC[N@H+]1Cc2ccccc2[C@H](C)C1 920417788 630814366 /nfs/dbraw/zinc/81/43/66/630814366.db2.gz NRTSDMATYFKCKA-GFCCVEGCSA-N 1 1 199.297 2.629 20 30 AFEDMO C#CCC[N@H+]1Cc2ccccc2[C@@H](C)C1 920417794 630816597 /nfs/dbraw/zinc/81/65/97/630816597.db2.gz NRTSDMATYFKCKA-LBPRGKRZSA-N 1 1 199.297 2.629 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H](CC)CC1 70614052 630835631 /nfs/dbraw/zinc/83/56/31/630835631.db2.gz PTODASBDCXFLIV-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H](C(C)C)CC1 70614056 630835668 /nfs/dbraw/zinc/83/56/68/630835668.db2.gz NKIBSMXXEBEVEQ-ZDUSSCGKSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@H](C(C)(C)C)C1 164580422 630836861 /nfs/dbraw/zinc/83/68/61/630836861.db2.gz LHQOGMQQNNTDTF-LBPRGKRZSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 164580308 630837135 /nfs/dbraw/zinc/83/71/35/630837135.db2.gz LHQOGMQQNNTDTF-GFCCVEGCSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@H+](C)[C@H](C)c1cccs1 82493899 630841897 /nfs/dbraw/zinc/84/18/97/630841897.db2.gz XJUWTOMTJWCEOA-SNVBAGLBSA-N 1 1 193.315 2.764 20 30 AFEDMO C#CCC[N@H+](C)[C@@H]1CCCC[C@H]1C 82493942 630842050 /nfs/dbraw/zinc/84/20/50/630842050.db2.gz IGIISSMELISXBK-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+]1CCC[C@H]1C1CCCC1 82493983 630842386 /nfs/dbraw/zinc/84/23/86/630842386.db2.gz JKRLKPFWZXNVQP-ZDUSSCGKSA-N 1 1 191.318 2.664 20 30 AFEDMO C#CCC[N@H+](C)[C@H]1CCC[C@H](C)C1 82493872 630844073 /nfs/dbraw/zinc/84/40/73/630844073.db2.gz ASEYEMPWSKMOKI-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](C)[C@H](C)c1ccc(C)cc1 169207004 630858164 /nfs/dbraw/zinc/85/81/64/630858164.db2.gz WXJVBXXBSXKNEK-GFCCVEGCSA-N 1 1 187.286 2.621 20 30 AFEDMO C#CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 169207091 630858953 /nfs/dbraw/zinc/85/89/53/630858953.db2.gz WXJVBXXBSXKNEK-LBPRGKRZSA-N 1 1 187.286 2.621 20 30 AFEDMO CCCCCC[N@@H+](C)[C@H](C)CC#N 63095760 630886908 /nfs/dbraw/zinc/88/69/08/630886908.db2.gz OUYSBJDQHJVXOH-LLVKDONJSA-N 1 1 182.311 2.801 20 30 AFEDMO C=C(Cl)C[NH2+]Cc1ccsc1 63152910 630888197 /nfs/dbraw/zinc/88/81/97/630888197.db2.gz DVXGQTUXFLFGPV-UHFFFAOYSA-N 1 1 187.695 2.590 20 30 AFEDMO CCCCCC[N@@H+](C)[C@@H](C)CC#N 63095757 630889320 /nfs/dbraw/zinc/88/93/20/630889320.db2.gz OUYSBJDQHJVXOH-NSHDSACASA-N 1 1 182.311 2.801 20 30 AFEDMO C#CCCC[N@H+]1CC[C@H]1c1ccccc1 766906421 630911853 /nfs/dbraw/zinc/91/18/53/630911853.db2.gz QIJQLAFJUXMCMI-AWEZNQCLSA-N 1 1 199.297 2.847 20 30 AFEDMO C#CCCC[N@H+]1CC[C@@H]1c1ccccc1 766906424 630912650 /nfs/dbraw/zinc/91/26/50/630912650.db2.gz QIJQLAFJUXMCMI-CQSZACIVSA-N 1 1 199.297 2.847 20 30 AFEDMO C=CC[N@@H+]1CCc2c(C)cccc2C1 200956817 631002146 /nfs/dbraw/zinc/00/21/46/631002146.db2.gz SIMNYTAEYJAYHJ-UHFFFAOYSA-N 1 1 187.286 2.539 20 30 AFEDMO CC[N@H+](CC1CC(C)C1)C[C@H](C)C#N 929429555 631091219 /nfs/dbraw/zinc/09/12/19/631091219.db2.gz NGIHYKCDNNHFIT-MOENNCHZSA-N 1 1 194.322 2.514 20 30 AFEDMO CC[N@H+](CC1CC(C)C1)C[C@@H](C)C#N 929429554 631092358 /nfs/dbraw/zinc/09/23/58/631092358.db2.gz NGIHYKCDNNHFIT-CXQJBGSLSA-N 1 1 194.322 2.514 20 30 AFEDMO C=C(C)C[N@H+](C)CC1CC(C)C1 930245498 631109268 /nfs/dbraw/zinc/10/92/68/631109268.db2.gz USYYAWNTXYOZQU-UHFFFAOYSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@H+](C[C@@H]1C[C@H]1CC)C1CC1 930176060 631108074 /nfs/dbraw/zinc/10/80/74/631108074.db2.gz PZHNUZSMUBDGJC-MNOVXSKESA-N 1 1 179.307 2.683 20 30 AFEDMO C=CC[N@H+](CC1CC(C)C1)C1CC1 930176045 631108258 /nfs/dbraw/zinc/10/82/58/631108258.db2.gz POBRZCUICDXQLL-UHFFFAOYSA-N 1 1 179.307 2.683 20 30 AFEDMO C=CCC[N@H+](C)C[C@@H]1C[C@H]1CC 930252739 631108831 /nfs/dbraw/zinc/10/88/31/631108831.db2.gz CZWJQUBICGNPAX-MNOVXSKESA-N 1 1 167.296 2.540 20 30 AFEDMO C=C(C)C[N@H+](C)C[C@@H]1C[C@H]1CC 930245691 631109553 /nfs/dbraw/zinc/10/95/53/631109553.db2.gz XFVSJAQNRANCRS-MNOVXSKESA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCC[N@H+](C)CC1CC(C)C1 930253133 631109790 /nfs/dbraw/zinc/10/97/90/631109790.db2.gz LHXIDJWXHSFSEY-UHFFFAOYSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@@H+]1CCSC[C@@H]1C(C)(C)C 931589984 631126028 /nfs/dbraw/zinc/12/60/28/631126028.db2.gz LALFFYPSCBAVMN-SNVBAGLBSA-N 1 1 199.363 2.636 20 30 AFEDMO C=CC[N@@H+]1CCSC[C@H]1C(C)(C)C 931589983 631126484 /nfs/dbraw/zinc/12/64/84/631126484.db2.gz LALFFYPSCBAVMN-JTQLQIEISA-N 1 1 199.363 2.636 20 30 AFEDMO CC/C=C\CC[N@H+]1CCC[C@H](C#N)C1 932148909 631128846 /nfs/dbraw/zinc/12/88/46/631128846.db2.gz TZVXSZRHBOKPIT-VSQXVHSFSA-N 1 1 192.306 2.578 20 30 AFEDMO CC/C=C/CC[N@H+]1CCC[C@@H](C#N)C1 932148908 631129470 /nfs/dbraw/zinc/12/94/70/631129470.db2.gz TZVXSZRHBOKPIT-PCAWENJQSA-N 1 1 192.306 2.578 20 30 AFEDMO CC/C=C/CC[N@H+]1CCC[C@H](C#N)C1 932148905 631129619 /nfs/dbraw/zinc/12/96/19/631129619.db2.gz TZVXSZRHBOKPIT-AAOUONPWSA-N 1 1 192.306 2.578 20 30 AFEDMO CC/C=C\CC[N@H+]1CCC[C@@H](C#N)C1 932148906 631129997 /nfs/dbraw/zinc/12/99/97/631129997.db2.gz TZVXSZRHBOKPIT-MVZIDQBPSA-N 1 1 192.306 2.578 20 30 AFEDMO C#CC[N@H+](CCC=C(C)C)C(C)C 932383667 631130747 /nfs/dbraw/zinc/13/07/47/631130747.db2.gz KHOIZHMYJUJZBJ-UHFFFAOYSA-N 1 1 179.307 2.686 20 30 AFEDMO C#CC[N@H+](CCCC1CC1)C(C)C 932384368 631131502 /nfs/dbraw/zinc/13/15/02/631131502.db2.gz QQNMYWYJKNBJKY-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+](Cc1ccsc1)C(C)C 932384540 631131675 /nfs/dbraw/zinc/13/16/75/631131675.db2.gz SMHNYAFYZBDIAO-UHFFFAOYSA-N 1 1 193.315 2.592 20 30 AFEDMO C#CC[N@H+](CCC(C)C)C1CCCC1 82263285 631157217 /nfs/dbraw/zinc/15/72/17/631157217.db2.gz LRMJOUZUPMKYAL-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@H+](CCC=C)Cc1ccccc1 196743260 631158221 /nfs/dbraw/zinc/15/82/21/631158221.db2.gz PJINKVKJQMDKQN-UHFFFAOYSA-N 1 1 199.297 2.698 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)s1 306284032 631170220 /nfs/dbraw/zinc/17/02/20/631170220.db2.gz IZUZNOHIHWGGPP-SECBINFHSA-N 1 1 193.315 2.510 20 30 AFEDMO C#CC[N@@H+]1CCCC[C@H]1[C@H](C)CC 306291209 631170753 /nfs/dbraw/zinc/17/07/53/631170753.db2.gz QSQKCCDPQGCPNL-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+]1CCCC[C@@H]1[C@@H](C)CC 306291210 631170770 /nfs/dbraw/zinc/17/07/70/631170770.db2.gz QSQKCCDPQGCPNL-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO Cc1ccc([C@@H](C)[NH2+]CCC#N)s1 20199994 1224164888 /nfs/dbraw/zinc/16/48/88/1224164888.db2.gz XFNCLFWDECDOIM-SECBINFHSA-N 1 1 194.303 2.621 20 30 AFEDMO Cc1ccc([C@H](C)[NH2+]CCC#N)s1 20199996 1224165098 /nfs/dbraw/zinc/16/50/98/1224165098.db2.gz XFNCLFWDECDOIM-VIFPVBQESA-N 1 1 194.303 2.621 20 30 AFEDMO C=C(CC)COc1cc[nH+]c(C)c1 200474822 1224210911 /nfs/dbraw/zinc/21/09/11/1224210911.db2.gz TVSUQFKWAFAKFO-UHFFFAOYSA-N 1 1 177.247 2.735 20 30 AFEDMO C=C(C)C[N@H+](C)C1CCCCC1 206434152 1224215685 /nfs/dbraw/zinc/21/56/85/1224215685.db2.gz MRGLSRXDIAYEBU-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C#CCC[N@@H+]1CC[C@H](CC(C)(C)C)C1 307823781 1224291257 /nfs/dbraw/zinc/29/12/57/1224291257.db2.gz SZMBUOHTIXXSOK-GFCCVEGCSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 307823782 1224291416 /nfs/dbraw/zinc/29/14/16/1224291416.db2.gz SZMBUOHTIXXSOK-LBPRGKRZSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H](CCC)C1 308326532 1224298255 /nfs/dbraw/zinc/29/82/55/1224298255.db2.gz FRBFCELUKHPCQY-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H](CCC)C1 308326534 1224298419 /nfs/dbraw/zinc/29/84/19/1224298419.db2.gz FRBFCELUKHPCQY-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CC[N@H+]1CCC[C@H]1C1CCCCC1 606264704 1224347377 /nfs/dbraw/zinc/34/73/77/1224347377.db2.gz MCOFZKJORLHLPH-ZDUSSCGKSA-N 1 1 191.318 2.664 20 30 AFEDMO C#CC[N@H+]1CCC[C@@H]1C1CCCCC1 606264698 1224347657 /nfs/dbraw/zinc/34/76/57/1224347657.db2.gz MCOFZKJORLHLPH-CYBMUJFWSA-N 1 1 191.318 2.664 20 30 AFEDMO C#CCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 760842273 1224352438 /nfs/dbraw/zinc/35/24/38/1224352438.db2.gz FQTHKKXXTVAWCJ-GXTWGEPZSA-N 1 1 199.297 2.703 20 30 AFEDMO C#CCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 760842274 1224352473 /nfs/dbraw/zinc/35/24/73/1224352473.db2.gz FQTHKKXXTVAWCJ-JSGCOSHPSA-N 1 1 199.297 2.703 20 30 AFEDMO C=CC[N@@H+](CCCCCC)CCOC 792407336 1224354498 /nfs/dbraw/zinc/35/44/98/1224354498.db2.gz QZFZOOIQGBFSIL-UHFFFAOYSA-N 1 1 199.338 2.701 20 30 AFEDMO C#CC[N@H+](C)C1CCC(CCC)CC1 792471718 1224354910 /nfs/dbraw/zinc/35/49/10/1224354910.db2.gz XIXVVSMJZSKOHV-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C=CC[N@H+](C)[C@@H](C)Cc1ccsc1 388586394 538433725 /nfs/dbraw/zinc/43/37/25/538433725.db2.gz IKORNTIUXOEHDT-JTQLQIEISA-N 1 1 195.331 2.797 20 30 AFEDMO C=C(C)C[N@H+]1CCc2ccccc2C1 41391921 537839913 /nfs/dbraw/zinc/83/99/13/537839913.db2.gz KDFTWRIAMYQQLJ-UHFFFAOYSA-N 1 1 187.286 2.621 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1cccs1 41392512 537842058 /nfs/dbraw/zinc/84/20/58/537842058.db2.gz YGGRKWVOOSPRQQ-UHFFFAOYSA-N 1 1 181.304 2.756 20 30 AFEDMO C=CC[N@H+](C)Cc1cc(C)ccc1C 142205626 537995594 /nfs/dbraw/zinc/99/55/94/537995594.db2.gz ZUCSNJMALXTGCR-UHFFFAOYSA-N 1 1 189.302 2.921 20 30 AFEDMO C=CC[N@H+]1CCC=C(c2ccccc2)C1 147738924 538003972 /nfs/dbraw/zinc/00/39/72/538003972.db2.gz VEFCNSXUKVOHQG-UHFFFAOYSA-N 1 1 199.297 2.962 20 30 AFEDMO C=CC[N@H+](CC)C1CCCCC1 147435182 538004350 /nfs/dbraw/zinc/00/43/50/538004350.db2.gz RXRKZRBPHBKJFM-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCCCCn1cc[nH+]c1C 148477815 538009140 /nfs/dbraw/zinc/00/91/40/538009140.db2.gz WXRBWNQTGBIXNG-UHFFFAOYSA-N 1 1 178.279 2.938 20 30 AFEDMO C=C[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 160556054 538045434 /nfs/dbraw/zinc/04/54/34/538045434.db2.gz BWANINMHLCFWCS-MRVPVSSYSA-N 1 1 187.246 2.549 20 30 AFEDMO C=C[C@H](C)Nc1[nH]c2ccccc2[nH+]1 160555930 538045895 /nfs/dbraw/zinc/04/58/95/538045895.db2.gz BWANINMHLCFWCS-QMMMGPOBSA-N 1 1 187.246 2.549 20 30 AFEDMO C=CC[N@H+](C)C/C=C/c1ccccc1 163506971 538083004 /nfs/dbraw/zinc/08/30/04/538083004.db2.gz SPKLKZCZVOQSIL-JXMROGBWSA-N 1 1 187.286 2.818 20 30 AFEDMO C=C(C)CC[N@H+](C)CCCC 196585506 538181640 /nfs/dbraw/zinc/18/16/40/538181640.db2.gz XYAYHLXAHCSYNN-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=C(C)C[N@@H+](CC)CC=C(C)C 379315641 538342589 /nfs/dbraw/zinc/34/25/89/538342589.db2.gz SYUDLIVJSWAOFC-UHFFFAOYSA-N 1 1 167.296 2.851 20 30 AFEDMO C=CCC[N@H+](CC(F)F)C(C)C 379319325 538342728 /nfs/dbraw/zinc/34/27/28/538342728.db2.gz PXSZYMUXAVFNOJ-UHFFFAOYSA-N 1 1 177.238 2.538 20 30 AFEDMO C=CCC[N@@H+](CC(F)F)C(C)C 379319325 538342732 /nfs/dbraw/zinc/34/27/32/538342732.db2.gz PXSZYMUXAVFNOJ-UHFFFAOYSA-N 1 1 177.238 2.538 20 30 AFEDMO C=CC[N@H+](CCCCC)C1CC1 379315919 538342739 /nfs/dbraw/zinc/34/27/39/538342739.db2.gz VQUVVNNVDLRWTG-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCC[N@@H+](CC=C)C1CC1 379323230 538344018 /nfs/dbraw/zinc/34/40/18/538344018.db2.gz ONALFEQWAULPJC-UHFFFAOYSA-N 1 1 165.280 2.603 20 30 AFEDMO C=CC[N@H+](CC=C(C)C)C1CC1 379322463 538345115 /nfs/dbraw/zinc/34/51/15/538345115.db2.gz JGYDDTDLDKHBBK-UHFFFAOYSA-N 1 1 165.280 2.603 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H]1CC 379328092 538346708 /nfs/dbraw/zinc/34/67/08/538346708.db2.gz NUBXZLGOOLOFMK-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H]1CC 379328093 538347761 /nfs/dbraw/zinc/34/77/61/538347761.db2.gz NUBXZLGOOLOFMK-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H]1CC 379328094 538348597 /nfs/dbraw/zinc/34/85/97/538348597.db2.gz NUBXZLGOOLOFMK-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H]1CC 379328091 538348697 /nfs/dbraw/zinc/34/86/97/538348697.db2.gz NUBXZLGOOLOFMK-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@@H+]1CCCC[C@@H]1CCC 379333134 538350558 /nfs/dbraw/zinc/35/05/58/538350558.db2.gz JFGOGFARZBGETP-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(CC)C[N@@H+]1CCC[C@H]1CC 379333168 538351122 /nfs/dbraw/zinc/35/11/22/538351122.db2.gz JLCMZSUWIXXORW-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(C)C[N@H+](C)CC1(C)CCC1 379330812 538351710 /nfs/dbraw/zinc/35/17/10/538351710.db2.gz YJXDQVWKIMEHPD-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(CC)C[N@@H+]1CCC[C@@H]1CC 379333169 538352397 /nfs/dbraw/zinc/35/23/97/538352397.db2.gz JLCMZSUWIXXORW-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=CC[N@@H+]1CCCC[C@H]1CCC 379333133 538352430 /nfs/dbraw/zinc/35/24/30/538352430.db2.gz JFGOGFARZBGETP-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(C)CC[N@H+](C)CC(C)(C)C 379336477 538353447 /nfs/dbraw/zinc/35/34/47/538353447.db2.gz QODMKONNFIQTJZ-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=C(C)CC[N@H+](C)C1CCCC1 379337289 538354653 /nfs/dbraw/zinc/35/46/53/538354653.db2.gz WIWHZHNFFJSHEX-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO CC#CCC[N@H+](C)[C@H](C)CCC 379333426 538355338 /nfs/dbraw/zinc/35/53/38/538355338.db2.gz KLCIPHWBUIGICQ-LLVKDONJSA-N 1 1 167.296 2.520 20 30 AFEDMO CC#CCC[N@H+](C)[C@@H](C)CCC 379333427 538355690 /nfs/dbraw/zinc/35/56/90/538355690.db2.gz KLCIPHWBUIGICQ-NSHDSACASA-N 1 1 167.296 2.520 20 30 AFEDMO C=CC[N@H+](CCCCCF)C1CC1 379356858 538360114 /nfs/dbraw/zinc/36/01/14/538360114.db2.gz PPUPIKYZZULYIF-UHFFFAOYSA-N 1 1 185.286 2.777 20 30 AFEDMO C=CCCC[N@H+]1CCC2(CCC2)C1 379386294 538381120 /nfs/dbraw/zinc/38/11/20/538381120.db2.gz XEXXGQHQNXPHIL-UHFFFAOYSA-N 1 1 179.307 2.829 20 30 AFEDMO C=CCCC[N@H+]1CCS[C@@H](C)CC1 379386109 538381287 /nfs/dbraw/zinc/38/12/87/538381287.db2.gz WMDAIFDVTCCXDG-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@H+]1CCS[C@H](C)CC1 379386108 538382566 /nfs/dbraw/zinc/38/25/66/538382566.db2.gz WMDAIFDVTCCXDG-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CC[N@@H+](C)CCCc1ccsc1 379393852 538387633 /nfs/dbraw/zinc/38/76/33/538387633.db2.gz VTAJAVIUSVIDQU-UHFFFAOYSA-N 1 1 195.331 2.799 20 30 AFEDMO C=CCC[N@@H+](CC1CC1)C1CCC1 379418129 538408553 /nfs/dbraw/zinc/40/85/53/538408553.db2.gz VPUVXDMHBABKOW-UHFFFAOYSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCC[N@H+](CC)C[C@@H](C)CC 381846612 538427816 /nfs/dbraw/zinc/42/78/16/538427816.db2.gz NWOQIAKMIJPDBZ-NSHDSACASA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCC[N@H+](CC)C[C@H](C)CC 381846593 538427983 /nfs/dbraw/zinc/42/79/83/538427983.db2.gz NWOQIAKMIJPDBZ-LLVKDONJSA-N 1 1 169.312 2.931 20 30 AFEDMO C=C(CC)C[N@@H+](C)CC(C)C 388154585 538429412 /nfs/dbraw/zinc/42/94/12/538429412.db2.gz PDRGIUMSCXMJOO-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=C(C)CC[N@H+](CC)CCC 388100051 538429472 /nfs/dbraw/zinc/42/94/72/538429472.db2.gz SEYYEGOLNSILAK-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO CC#CCC[N@H+](CC)C(CC)CC 388284710 538430948 /nfs/dbraw/zinc/43/09/48/538430948.db2.gz POFLGIWFMRRUTA-UHFFFAOYSA-N 1 1 181.323 2.910 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCF 388278521 538430916 /nfs/dbraw/zinc/43/09/16/538430916.db2.gz KBPAYBVQVYBPLI-LLVKDONJSA-N 1 1 185.286 2.777 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1CCCCF 388278522 538431283 /nfs/dbraw/zinc/43/12/83/538431283.db2.gz KBPAYBVQVYBPLI-NSHDSACASA-N 1 1 185.286 2.777 20 30 AFEDMO C=CCCC[N@@H+]1CC=C(C)CC1 388397692 538431921 /nfs/dbraw/zinc/43/19/21/538431921.db2.gz KGMVKRRGYZYZIB-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO C=CCC[N@H+](C)[C@H]1C=CCCC1 388446853 538432744 /nfs/dbraw/zinc/43/27/44/538432744.db2.gz VXSUDIBVEUVMFB-NSHDSACASA-N 1 1 165.280 2.603 20 30 AFEDMO C=CCC[N@H+](C)[C@@H]1C=CCCC1 388446847 538432781 /nfs/dbraw/zinc/43/27/81/538432781.db2.gz VXSUDIBVEUVMFB-LLVKDONJSA-N 1 1 165.280 2.603 20 30 AFEDMO C=C(CC)C[N@@H+](C)CC(C)(C)C 388517310 538433547 /nfs/dbraw/zinc/43/35/47/538433547.db2.gz VBXFOUXZXLZENM-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@H+](C)[C@H](C)Cc1ccsc1 388586395 538433696 /nfs/dbraw/zinc/43/36/96/538433696.db2.gz IKORNTIUXOEHDT-SNVBAGLBSA-N 1 1 195.331 2.797 20 30 AFEDMO CC#CCC[N@H+](C)[C@@H](C)CCCC 388587379 538433747 /nfs/dbraw/zinc/43/37/47/538433747.db2.gz JBKWXWDAHZSDSW-LBPRGKRZSA-N 1 1 181.323 2.910 20 30 AFEDMO CC#CCC[N@H+](C)[C@H](C)CCCC 388587377 538433764 /nfs/dbraw/zinc/43/37/64/538433764.db2.gz JBKWXWDAHZSDSW-GFCCVEGCSA-N 1 1 181.323 2.910 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(CC)s1 388600921 538434860 /nfs/dbraw/zinc/43/48/60/538434860.db2.gz RKITXPLIRAYXTO-UHFFFAOYSA-N 1 1 195.331 2.928 20 30 AFEDMO C=CCC[N@H+]1CCC[C@H](C2CC2)C1 388604027 538434505 /nfs/dbraw/zinc/43/45/05/538434505.db2.gz UHNPJVWFIQLKGH-LBPRGKRZSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CCCC[N@@H+]1CCSC[C@H](C)C1 388603177 538434648 /nfs/dbraw/zinc/43/46/48/538434648.db2.gz TYYQRVBAEFUYJE-LLVKDONJSA-N 1 1 199.363 2.638 20 30 AFEDMO C=CCCC[N@@H+]1CCSC[C@@H](C)C1 388603178 538434719 /nfs/dbraw/zinc/43/47/19/538434719.db2.gz TYYQRVBAEFUYJE-NSHDSACASA-N 1 1 199.363 2.638 20 30 AFEDMO C=CCC[N@H+]1CCC[C@@H](C2CC2)C1 388604026 538434805 /nfs/dbraw/zinc/43/48/05/538434805.db2.gz UHNPJVWFIQLKGH-GFCCVEGCSA-N 1 1 179.307 2.685 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=C)CC 388649758 538435468 /nfs/dbraw/zinc/43/54/68/538435468.db2.gz RIGXAOQECJQCJR-LBPRGKRZSA-N 1 1 179.307 2.993 20 30 AFEDMO C=CC[NH2+][C@@H](C)c1csc(CC)n1 388648851 538435473 /nfs/dbraw/zinc/43/54/73/538435473.db2.gz RCWCLISPCXIHJF-QMMMGPOBSA-N 1 1 196.319 2.542 20 30 AFEDMO C=CC[NH2+][C@H](C)c1csc(CC)n1 388648825 538435511 /nfs/dbraw/zinc/43/55/11/538435511.db2.gz RCWCLISPCXIHJF-MRVPVSSYSA-N 1 1 196.319 2.542 20 30 AFEDMO C=CCCC[N@H+]1CC[C@@H]2CCC[C@H]21 388694505 538436150 /nfs/dbraw/zinc/43/61/50/538436150.db2.gz LVGRWCWKKUPFLU-NWDGAFQWSA-N 1 1 179.307 2.827 20 30 AFEDMO CCC#C[C@@H](C)[N@@H+](CC)CC1CC1 388661796 538435621 /nfs/dbraw/zinc/43/56/21/538435621.db2.gz VNWYOTASKKYRCB-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO CCC#C[C@H](C)[N@@H+](CC)CC1CC1 388661797 538435760 /nfs/dbraw/zinc/43/57/60/538435760.db2.gz VNWYOTASKKYRCB-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=C)CC 388649757 538435956 /nfs/dbraw/zinc/43/59/56/538435956.db2.gz RIGXAOQECJQCJR-GFCCVEGCSA-N 1 1 179.307 2.993 20 30 AFEDMO C=CCCC[N@H+]1CC[C@H]2CCC[C@H]21 388694507 538436044 /nfs/dbraw/zinc/43/60/44/538436044.db2.gz LVGRWCWKKUPFLU-VXGBXAGGSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCCC[N@H+]1CC[C@H]2CCC[C@@H]21 388694504 538436179 /nfs/dbraw/zinc/43/61/79/538436179.db2.gz LVGRWCWKKUPFLU-NEPJUHHUSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 388694506 538436197 /nfs/dbraw/zinc/43/61/97/538436197.db2.gz LVGRWCWKKUPFLU-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@H](C)C1 388672350 538436211 /nfs/dbraw/zinc/43/62/11/538436211.db2.gz YGAVRJHIRTXBSJ-NWDGAFQWSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 388672357 538436224 /nfs/dbraw/zinc/43/62/24/538436224.db2.gz YGAVRJHIRTXBSJ-RYUDHWBXSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCCC[N@@H+]1CCSCC[C@@H]1C 388705549 538436583 /nfs/dbraw/zinc/43/65/83/538436583.db2.gz OHIXEYKRCILKRQ-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 388672359 538436297 /nfs/dbraw/zinc/43/62/97/538436297.db2.gz YGAVRJHIRTXBSJ-VXGBXAGGSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 388672347 538436301 /nfs/dbraw/zinc/43/63/01/538436301.db2.gz YGAVRJHIRTXBSJ-NEPJUHHUSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCCC[N@@H+]1CCSCC[C@H]1C 388705548 538436966 /nfs/dbraw/zinc/43/69/66/538436966.db2.gz OHIXEYKRCILKRQ-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(C)CC[N@H+](C)Cc1ccoc1 388848620 538438298 /nfs/dbraw/zinc/43/82/98/538438298.db2.gz ZVRUDTOQIXRUJW-UHFFFAOYSA-N 1 1 179.263 2.678 20 30 AFEDMO C=C(C)CC[N@H+]1CCC[C@H]1C1CC1 388882118 538438346 /nfs/dbraw/zinc/43/83/46/538438346.db2.gz IYHIKPRPSHDFIU-LBPRGKRZSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C1CC1 388882116 538438520 /nfs/dbraw/zinc/43/85/20/538438520.db2.gz IYHIKPRPSHDFIU-GFCCVEGCSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCCC[N@H+]1CCC(C)=C(C)C1 388947181 538438859 /nfs/dbraw/zinc/43/88/59/538438859.db2.gz YVIPUFBXVGUTGJ-UHFFFAOYSA-N 1 1 179.307 2.995 20 30 AFEDMO C=CCC[C@H]([NH2+]CCF)c1ccco1 389350962 538441038 /nfs/dbraw/zinc/44/10/38/538441038.db2.gz NZJVWVGJOLAJMG-JTQLQIEISA-N 1 1 197.253 2.846 20 30 AFEDMO C=CCC[C@@H]([NH2+]CCF)c1ccco1 389350963 538441257 /nfs/dbraw/zinc/44/12/57/538441257.db2.gz NZJVWVGJOLAJMG-SNVBAGLBSA-N 1 1 197.253 2.846 20 30 AFEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1C 201307149 541314219 /nfs/dbraw/zinc/31/42/19/541314219.db2.gz RKDSHSPSWLJWMU-LLVKDONJSA-N 1 1 187.286 2.792 20 30 AFEDMO C=CC[N@@H+](C)CCCC(C)(C)C 201289381 541314630 /nfs/dbraw/zinc/31/46/30/541314630.db2.gz PJVVHUXNFCILLN-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1C 201307184 541314721 /nfs/dbraw/zinc/31/47/21/541314721.db2.gz RKDSHSPSWLJWMU-NSHDSACASA-N 1 1 187.286 2.792 20 30 AFEDMO C=CCC[N@H+]1CCSC(C)(C)CC1 306511473 541329680 /nfs/dbraw/zinc/32/96/80/541329680.db2.gz NAYRDEZGHVLTLG-UHFFFAOYSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CC[N@@H+](C)CCC(C)(C)C 379295279 541337244 /nfs/dbraw/zinc/33/72/44/541337244.db2.gz MJVVFMHGAWSZOG-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=CCC[N@H+](C)CCC(C)(C)C 388380317 541341355 /nfs/dbraw/zinc/34/13/55/541341355.db2.gz MNPVMAAVMFZWFY-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@H](CC)C1 388354386 541342026 /nfs/dbraw/zinc/34/20/26/541342026.db2.gz PTLDDKWJNOYSAL-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CC[NH+](CC=C)CCC(F)(F)F 388368886 541342080 /nfs/dbraw/zinc/34/20/80/541342080.db2.gz WMVYNMWTAVBWFC-UHFFFAOYSA-N 1 1 193.212 2.613 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@@H](CC)C1 388354387 541342382 /nfs/dbraw/zinc/34/23/82/541342382.db2.gz PTLDDKWJNOYSAL-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1ccccc1 6820326 756961905 /nfs/dbraw/zinc/96/19/05/756961905.db2.gz LZFFEXINDCZKKM-UHFFFAOYSA-N 1 1 175.275 2.695 20 30 AFEDMO CC(C)CCC[N@H+]1CCC[C@@H](C#N)C1 165331262 757010084 /nfs/dbraw/zinc/01/00/84/757010084.db2.gz YQPNLLQSWYRUHX-LBPRGKRZSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)CCC[N@H+]1CCC[C@H](C#N)C1 165331133 757010799 /nfs/dbraw/zinc/01/07/99/757010799.db2.gz YQPNLLQSWYRUHX-GFCCVEGCSA-N 1 1 194.322 2.658 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)CC1CCCCCC1 769961537 674008571 /nfs/dbraw/zinc/00/85/71/674008571.db2.gz RKHOFBHAVHHIPH-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@@H+]1CCCC(C)(C)[C@H]1CC=C 769954859 674008598 /nfs/dbraw/zinc/00/85/98/674008598.db2.gz XVZLHJTUFWMCGJ-GFCCVEGCSA-N 1 1 191.318 2.686 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)CC1CCCCCC1 769961540 674008616 /nfs/dbraw/zinc/00/86/16/674008616.db2.gz RKHOFBHAVHHIPH-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#C[C@@H](C)[N@H+](C)C[C@H](C)C(C)(C)C 308275625 757108660 /nfs/dbraw/zinc/10/86/60/757108660.db2.gz UYBZUMYJTLQVQA-WDEREUQCSA-N 1 1 181.323 2.622 20 30 AFEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C 308275619 757108823 /nfs/dbraw/zinc/10/88/23/757108823.db2.gz UYBZUMYJTLQVQA-GHMZBOCLSA-N 1 1 181.323 2.622 20 30 AFEDMO C[N@@H+](CCCC1CC1)CC(C)(C)C#N 405132785 757191920 /nfs/dbraw/zinc/19/19/20/757191920.db2.gz HOJGJAWWZNMELE-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO N#CCCCC[N@@H+]1CCC=C(Cl)C1 404480105 757195960 /nfs/dbraw/zinc/19/59/60/757195960.db2.gz ROWVROWZHJQJFW-UHFFFAOYSA-N 1 1 198.697 2.509 20 30 AFEDMO CC[N@@H+](CCCC1CC1)C[C@H](C)C#N 406050566 757237637 /nfs/dbraw/zinc/23/76/37/757237637.db2.gz YVAFWNZLAIYIDX-LLVKDONJSA-N 1 1 194.322 2.658 20 30 AFEDMO CC[N@@H+](CCCC1CC1)C[C@@H](C)C#N 406050567 757239837 /nfs/dbraw/zinc/23/98/37/757239837.db2.gz YVAFWNZLAIYIDX-NSHDSACASA-N 1 1 194.322 2.658 20 30 AFEDMO C#CCC[N@H+](C)Cc1ccc(C)s1 685969395 757299886 /nfs/dbraw/zinc/29/98/86/757299886.db2.gz MYHZHYDUTJAIAN-UHFFFAOYSA-N 1 1 193.315 2.512 20 30 AFEDMO C#CCCC[N@H+]1CCC[C@@H]1C1CCC1 688174771 757336548 /nfs/dbraw/zinc/33/65/48/757336548.db2.gz RKLKPUMYBLCJJN-CYBMUJFWSA-N 1 1 191.318 2.664 20 30 AFEDMO C#CCCC[N@H+]1CCC[C@H]1C1CCC1 688174773 757337118 /nfs/dbraw/zinc/33/71/18/757337118.db2.gz RKLKPUMYBLCJJN-ZDUSSCGKSA-N 1 1 191.318 2.664 20 30 AFEDMO C#CC[N@@H+]1CCCC(CC)(CC)C1 689184297 757342979 /nfs/dbraw/zinc/34/29/79/757342979.db2.gz LHDHFJQIKLSQLZ-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CC1CC(C[N@@H+](C)CC(C)(C)C#N)C1 691954508 757367579 /nfs/dbraw/zinc/36/75/79/757367579.db2.gz AJKLVOYUQQDTLS-UHFFFAOYSA-N 1 1 194.322 2.514 20 30 AFEDMO C[C@H](CCC#N)[N@@H+]1CCC=C(Cl)C1 695814349 757417396 /nfs/dbraw/zinc/41/73/96/757417396.db2.gz YJXKJHCOEPHQQW-SECBINFHSA-N 1 1 198.697 2.507 20 30 AFEDMO C[C@H](CCC#N)[N@H+]1CCC=C(Cl)C1 695814349 757417410 /nfs/dbraw/zinc/41/74/10/757417410.db2.gz YJXKJHCOEPHQQW-SECBINFHSA-N 1 1 198.697 2.507 20 30 AFEDMO C[C@@H](CCC#N)[N@@H+]1CCC=C(Cl)C1 695814352 757420548 /nfs/dbraw/zinc/42/05/48/757420548.db2.gz YJXKJHCOEPHQQW-VIFPVBQESA-N 1 1 198.697 2.507 20 30 AFEDMO C[C@@H](CCC#N)[N@H+]1CCC=C(Cl)C1 695814352 757420561 /nfs/dbraw/zinc/42/05/61/757420561.db2.gz YJXKJHCOEPHQQW-VIFPVBQESA-N 1 1 198.697 2.507 20 30 AFEDMO C#CC(C)(C)[N@@H+](C)CCCC1CCC1 851986589 757504917 /nfs/dbraw/zinc/50/49/17/757504917.db2.gz LVHVHXYFNJYFEP-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@@H+]1C[C@@H](C)CC1(C)C 306925236 572820476 /nfs/dbraw/zinc/82/04/76/572820476.db2.gz LSRXNXVKZUBPCQ-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+](CCC1CCC1)CC1CC1 1118496652 757693095 /nfs/dbraw/zinc/69/30/95/757693095.db2.gz ZYOWRKNLTMZRJE-UHFFFAOYSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CC[N@@H+](CC1CC1)[C@H](C)CCC 308484845 573020824 /nfs/dbraw/zinc/02/08/24/573020824.db2.gz OQNOFWNWIFSZDN-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCCN(C)c1ccc(CC)c[nH+]1 1120926004 757822890 /nfs/dbraw/zinc/82/28/90/757822890.db2.gz NVIOJFUEDAITTI-UHFFFAOYSA-N 1 1 190.290 2.656 20 30 AFEDMO C#CC[N@H+](C)Cc1ccccc1C1CC1 1139882382 757889911 /nfs/dbraw/zinc/88/99/11/757889911.db2.gz JEWAZIMYXSOXRE-UHFFFAOYSA-N 1 1 199.297 2.629 20 30 AFEDMO C#CC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CC 308318404 573220819 /nfs/dbraw/zinc/22/08/19/573220819.db2.gz XDDOTFIBQSUWOZ-QWRGUYRKSA-N 1 1 179.307 2.519 20 30 AFEDMO C#CC[N@@H+](C1CC1)[C@H](C)[C@H](C)CC 308318402 573224621 /nfs/dbraw/zinc/22/46/21/573224621.db2.gz XDDOTFIBQSUWOZ-GHMZBOCLSA-N 1 1 179.307 2.519 20 30 AFEDMO C#CC[N@@H+](CC1CC1)CC1(C)CCC1 1261233984 1170113346 /nfs/dbraw/zinc/11/33/46/1170113346.db2.gz OYCINXICHKJQLN-UHFFFAOYSA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C)[C@@H]1C 306401509 572633102 /nfs/dbraw/zinc/63/31/02/572633102.db2.gz PPJDDMRHMYDXRY-WPRPVWTQSA-N 1 1 187.714 2.859 20 30 AFEDMO C#CCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 306595544 572680614 /nfs/dbraw/zinc/68/06/14/572680614.db2.gz UITUEFUIFVRONW-NWDGAFQWSA-N 1 1 191.318 2.520 20 30 AFEDMO C#CC[N@H+](CC)CCCCCCC 308217934 572999849 /nfs/dbraw/zinc/99/98/49/572999849.db2.gz KALYOEJHRSVQBT-UHFFFAOYSA-N 1 1 181.323 2.912 20 30 AFEDMO Cc1ccc([C@@H]([NH3+])CC#N)c(Cl)c1 104684938 573183470 /nfs/dbraw/zinc/18/34/70/573183470.db2.gz YQOPGVQVXZXWFR-JTQLQIEISA-N 1 1 194.665 2.562 20 30 AFEDMO Cc1c(Cl)cccc1[C@@H]([NH3+])CC#N 104684944 573183209 /nfs/dbraw/zinc/18/32/09/573183209.db2.gz KKUMWOWBNUYRBG-JTQLQIEISA-N 1 1 194.665 2.562 20 30 AFEDMO C=C(Cl)C[N@H+](C)CCC(C)C 393660271 573222790 /nfs/dbraw/zinc/22/27/90/573222790.db2.gz IRXQZADHJNEOQT-UHFFFAOYSA-N 1 1 175.703 2.717 20 30 AFEDMO C=CC[N@H+](CC1(SC)CC1)C(C)C 308301322 573236445 /nfs/dbraw/zinc/23/64/45/573236445.db2.gz KQKLFVHDBIFZOZ-UHFFFAOYSA-N 1 1 199.363 2.778 20 30 AFEDMO CCCCO[NH+]=C(N)CCC(C)C 308377672 573381185 /nfs/dbraw/zinc/38/11/85/573381185.db2.gz TUNGWPFSROMTRF-UHFFFAOYSA-N 1 1 186.299 2.512 20 30 AFEDMO CCCCCC[N@@H+](CC)CCC#N 44413424 573910044 /nfs/dbraw/zinc/91/00/44/573910044.db2.gz PXMQADUIBBUQDG-UHFFFAOYSA-N 1 1 182.311 2.802 20 30 AFEDMO CC(C)CC[N@@H+](CCC#N)C(C)C 42530765 573967903 /nfs/dbraw/zinc/96/79/03/573967903.db2.gz YMYQLSNBQJJCDK-UHFFFAOYSA-N 1 1 182.311 2.657 20 30 AFEDMO Cc1cccc([C@H]([NH3+])CC#N)c1Cl 104507286 574018410 /nfs/dbraw/zinc/01/84/10/574018410.db2.gz QXBDIEGLGGFSJQ-SECBINFHSA-N 1 1 194.665 2.562 20 30 AFEDMO Cc1cc(Cl)cc([C@H]([NH3+])CC#N)c1 104507290 574019842 /nfs/dbraw/zinc/01/98/42/574019842.db2.gz HCZQJCZSQSSAIN-SNVBAGLBSA-N 1 1 194.665 2.562 20 30 AFEDMO C=C(C)C[N@H+]1CC(C)(C)C1(C)C 1252638574 767186372 /nfs/dbraw/zinc/18/63/72/767186372.db2.gz SZYUBHMUQBKWBV-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C#CC[N@H+](CC)[C@H]1CCCC[C@H]1C 307133635 673924796 /nfs/dbraw/zinc/92/47/96/673924796.db2.gz NARKOYYTTZZKBN-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO CC[C@@H]1C[C@H]1C[N@@H+](CC)C[C@@H](C)C#N 723124126 673926291 /nfs/dbraw/zinc/92/62/91/673926291.db2.gz NKZLNBPURBRXPR-TUAOUCFPSA-N 1 1 194.322 2.514 20 30 AFEDMO C=CC[N@H+](Cc1nccs1)C(C)C 308141929 673926605 /nfs/dbraw/zinc/92/66/05/673926605.db2.gz JEEKDGQXZIHGPJ-UHFFFAOYSA-N 1 1 196.319 2.540 20 30 AFEDMO C=CC[N@@H+](Cc1nccs1)C(C)C 308141929 673926607 /nfs/dbraw/zinc/92/66/07/673926607.db2.gz JEEKDGQXZIHGPJ-UHFFFAOYSA-N 1 1 196.319 2.540 20 30 AFEDMO C#CC[N@H+](CC)C[C@H](C)C(C)(C)C 308427393 673945000 /nfs/dbraw/zinc/94/50/00/673945000.db2.gz RSZOYVWRJOOFKB-NSHDSACASA-N 1 1 181.323 2.624 20 30 AFEDMO C=CC[N@H+](CCCCCOC)C(C)C 728688345 673958792 /nfs/dbraw/zinc/95/87/92/673958792.db2.gz JNSPPSCGQAMKLW-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C#CCC[N@@H+]1CCCC(C)(C)CC1 83680974 673963125 /nfs/dbraw/zinc/96/31/25/673963125.db2.gz ZBKGBPBIGLXZBF-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C=C[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 158867427 673977443 /nfs/dbraw/zinc/97/74/43/673977443.db2.gz YKVNUSCXTMJXHC-YUMQZZPRSA-N 1 1 196.319 2.677 20 30 AFEDMO C=C[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 158867547 673977692 /nfs/dbraw/zinc/97/76/92/673977692.db2.gz YKVNUSCXTMJXHC-HTQZYQBOSA-N 1 1 196.319 2.677 20 30 AFEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 158867693 673977760 /nfs/dbraw/zinc/97/77/60/673977760.db2.gz YKVNUSCXTMJXHC-SFYZADRCSA-N 1 1 196.319 2.677 20 30 AFEDMO C=C[C@H](C)[NH2+][C@H](C)c1csc(C)n1 158867297 673977818 /nfs/dbraw/zinc/97/78/18/673977818.db2.gz YKVNUSCXTMJXHC-JGVFFNPUSA-N 1 1 196.319 2.677 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@H](CC=C)C1 703690128 673983060 /nfs/dbraw/zinc/98/30/60/673983060.db2.gz LKBHGQHRMFFQBL-ZDUSSCGKSA-N 1 1 191.318 2.688 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@@H](CC=C)C1 703690127 673983442 /nfs/dbraw/zinc/98/34/42/673983442.db2.gz LKBHGQHRMFFQBL-CYBMUJFWSA-N 1 1 191.318 2.688 20 30 AFEDMO CC(C)=CCC[N@H+]1CCC[C@@H](C#N)C1 704710382 673985101 /nfs/dbraw/zinc/98/51/01/673985101.db2.gz ZMDOAMOQBCBHMP-LBPRGKRZSA-N 1 1 192.306 2.578 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@@H](CCC)C1 708434951 673990934 /nfs/dbraw/zinc/99/09/34/673990934.db2.gz YKFGRMAXZUYQRE-CYBMUJFWSA-N 1 1 193.334 2.912 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@H](CCC)C1 708434953 673990937 /nfs/dbraw/zinc/99/09/37/673990937.db2.gz YKFGRMAXZUYQRE-ZDUSSCGKSA-N 1 1 193.334 2.912 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 708434419 673991105 /nfs/dbraw/zinc/99/11/05/673991105.db2.gz SVCDCFUMLPLOOF-LBPRGKRZSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 708434418 673991164 /nfs/dbraw/zinc/99/11/64/673991164.db2.gz SVCDCFUMLPLOOF-GFCCVEGCSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@H+]1CC[C@@H](C2CCCC2)C1 708767891 673991481 /nfs/dbraw/zinc/99/14/81/673991481.db2.gz XRRVRVUWGAJSIM-CYBMUJFWSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CC[N@H+]1CC[C@H](C2CCCCC2)C1 708766012 673991723 /nfs/dbraw/zinc/99/17/23/673991723.db2.gz OTPWYOZJEZYCHB-ZDUSSCGKSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CCC[N@H+]1CC[C@H](C2CCCC2)C1 708767893 673992069 /nfs/dbraw/zinc/99/20/69/673992069.db2.gz XRRVRVUWGAJSIM-ZDUSSCGKSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CC[N@H+]1CC[C@@H](C2CCCCC2)C1 708766011 673992250 /nfs/dbraw/zinc/99/22/50/673992250.db2.gz OTPWYOZJEZYCHB-CYBMUJFWSA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(Cl)Cn1cc(C)[nH+]c1CC 715072548 674006107 /nfs/dbraw/zinc/00/61/07/674006107.db2.gz UEGLDMVKTLXPPH-UHFFFAOYSA-N 1 1 184.670 2.506 20 30 AFEDMO C#CC[N@@H+]1CCCC[C@H]1CCC(C)C 760962250 674007519 /nfs/dbraw/zinc/00/75/19/674007519.db2.gz YWVRXDZOGARVFB-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@@H+]1CCCC[C@@H]1CCC(C)C 760962248 674007572 /nfs/dbraw/zinc/00/75/72/674007572.db2.gz YWVRXDZOGARVFB-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@@H+]1CCCC(C)(C)[C@@H]1CC=C 769954868 674008536 /nfs/dbraw/zinc/00/85/36/674008536.db2.gz XVZLHJTUFWMCGJ-LBPRGKRZSA-N 1 1 191.318 2.686 20 30 AFEDMO C=CCCCn1cc(C)[nH+]c1CC 715072183 674019880 /nfs/dbraw/zinc/01/98/80/674019880.db2.gz OCVKUDZEPSVDEE-UHFFFAOYSA-N 1 1 178.279 2.720 20 30 AFEDMO C=CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 148474828 1169243925 /nfs/dbraw/zinc/24/39/25/1169243925.db2.gz LUMQNTNUYDZPBJ-NWDGAFQWSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 148475078 1169244711 /nfs/dbraw/zinc/24/47/11/1169244711.db2.gz LUMQNTNUYDZPBJ-VXGBXAGGSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[N@@H+](CC1=CCCC1)C(C)C 827799925 674031583 /nfs/dbraw/zinc/03/15/83/674031583.db2.gz WIMKNCYXEYEFNB-UHFFFAOYSA-N 1 1 179.307 2.993 20 30 AFEDMO CC(C)CC/[NH+]=C/c1ccccc1O 5962531 674052363 /nfs/dbraw/zinc/05/23/63/674052363.db2.gz XOVCOZPZAACWRA-UKTHLTGXSA-N 1 1 191.274 2.857 20 30 AFEDMO CC[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C#N 930570249 674053691 /nfs/dbraw/zinc/05/36/91/674053691.db2.gz VMROKSVUCLMALJ-MNOVXSKESA-N 1 1 194.322 2.514 20 30 AFEDMO C#CCC[N@H+](CC(C)C)C1CCCC1 87286825 674059097 /nfs/dbraw/zinc/05/90/97/674059097.db2.gz ASYCKUCPNMGAIF-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1C[C@H]1C 722873498 674079359 /nfs/dbraw/zinc/07/93/59/674079359.db2.gz KDARRMIUWMEGCT-VXGBXAGGSA-N 1 1 194.322 2.514 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1C[C@H]1C 722873495 674079475 /nfs/dbraw/zinc/07/94/75/674079475.db2.gz KDARRMIUWMEGCT-NEPJUHHUSA-N 1 1 194.322 2.514 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1C[C@@H]1C 722873496 674079869 /nfs/dbraw/zinc/07/98/69/674079869.db2.gz KDARRMIUWMEGCT-NWDGAFQWSA-N 1 1 194.322 2.514 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1C[C@@H]1C 722873497 674080071 /nfs/dbraw/zinc/08/00/71/674080071.db2.gz KDARRMIUWMEGCT-RYUDHWBXSA-N 1 1 194.322 2.514 20 30 AFEDMO C#CC[N@H+]1CCCC[C@@H]1c1ccccc1 217553664 1169336439 /nfs/dbraw/zinc/33/64/39/1169336439.db2.gz SJECFFGRDUMYLA-CQSZACIVSA-N 1 1 199.297 2.847 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@H](C#N)C1 306356587 1169473589 /nfs/dbraw/zinc/47/35/89/1169473589.db2.gz SZIHSGWTBJVXJN-QJPTWQEYSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](C#N)C1 306356595 1169473755 /nfs/dbraw/zinc/47/37/55/1169473755.db2.gz SZIHSGWTBJVXJN-SDDRHHMPSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@@H](C#N)C1 306356611 1169473790 /nfs/dbraw/zinc/47/37/90/1169473790.db2.gz SZIHSGWTBJVXJN-TUAOUCFPSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C#N)C1 306356604 1169475157 /nfs/dbraw/zinc/47/51/57/1169475157.db2.gz SZIHSGWTBJVXJN-SRVKXCTJSA-N 1 1 194.322 2.657 20 30 AFEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CC1 307225267 1169511838 /nfs/dbraw/zinc/51/18/38/1169511838.db2.gz UGJMUOAWHLGIQP-SNVBAGLBSA-N 1 1 185.698 2.613 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@@H+](CC)C[C@H](C)C#N 319716350 1169555449 /nfs/dbraw/zinc/55/54/49/1169555449.db2.gz ALWQQRCPZDITKH-WOPDTQHZSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N 319716345 1169555548 /nfs/dbraw/zinc/55/55/48/1169555548.db2.gz ALWQQRCPZDITKH-GRYCIOLGSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N 319716348 1169556431 /nfs/dbraw/zinc/55/64/31/1169556431.db2.gz ALWQQRCPZDITKH-SRVKXCTJSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N 319716347 1169556591 /nfs/dbraw/zinc/55/65/91/1169556591.db2.gz ALWQQRCPZDITKH-SDDRHHMPSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@@H+](C)C[C@H](C)C#N 379354745 1169572383 /nfs/dbraw/zinc/57/23/83/1169572383.db2.gz JIRFYIFNOAWXKO-VWYCJHECSA-N 1 1 182.311 2.512 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@@H+](C)C[C@H](C)C#N 379354744 1169573029 /nfs/dbraw/zinc/57/30/29/1169573029.db2.gz JIRFYIFNOAWXKO-OUAUKWLOSA-N 1 1 182.311 2.512 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N 379354743 1169573922 /nfs/dbraw/zinc/57/39/22/1169573922.db2.gz JIRFYIFNOAWXKO-GARJFASQSA-N 1 1 182.311 2.512 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@@H+](C)C[C@@H](C)C#N 379354742 1169573939 /nfs/dbraw/zinc/57/39/39/1169573939.db2.gz JIRFYIFNOAWXKO-DCAQKATOSA-N 1 1 182.311 2.512 20 30 AFEDMO N#CCCCC[N@H+]1CC2CCC1CC2 379589232 1169588246 /nfs/dbraw/zinc/58/82/46/1169588246.db2.gz VCABAHLQKZAPCJ-UHFFFAOYSA-N 1 1 192.306 2.555 20 30 AFEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC)CCC#N 388780700 1169632924 /nfs/dbraw/zinc/63/29/24/1169632924.db2.gz JLLPIGRXDNGIAA-MNOVXSKESA-N 1 1 182.311 2.657 20 30 AFEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC)CCC#N 388780695 1169633187 /nfs/dbraw/zinc/63/31/87/1169633187.db2.gz JLLPIGRXDNGIAA-GHMZBOCLSA-N 1 1 182.311 2.657 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC)CCC#N 388780713 1169633872 /nfs/dbraw/zinc/63/38/72/1169633872.db2.gz JLLPIGRXDNGIAA-WDEREUQCSA-N 1 1 182.311 2.657 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@@H+](CC)CCC#N 388780706 1169634251 /nfs/dbraw/zinc/63/42/51/1169634251.db2.gz JLLPIGRXDNGIAA-QWRGUYRKSA-N 1 1 182.311 2.657 20 30 AFEDMO C#CCCC[N@H+](C1CCCC1)C1CC1 766900942 1169776731 /nfs/dbraw/zinc/77/67/31/1169776731.db2.gz PHMSZKKLQZVWCJ-UHFFFAOYSA-N 1 1 191.318 2.807 20 30 AFEDMO C=CC[N@H+](CC(=C)C)C(C)(C)C 196329734 566274793 /nfs/dbraw/zinc/27/47/93/566274793.db2.gz MOCYXIBKEKXSHD-UHFFFAOYSA-N 1 1 167.296 2.849 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=C)C 196329783 566275008 /nfs/dbraw/zinc/27/50/08/566275008.db2.gz ODZZLXZVAHIGJG-LLVKDONJSA-N 1 1 165.280 2.603 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=C)C 196329772 566275089 /nfs/dbraw/zinc/27/50/89/566275089.db2.gz ODZZLXZVAHIGJG-NSHDSACASA-N 1 1 165.280 2.603 20 30 AFEDMO C=CCCC[N@@H+]1C[C@H]2CCC[C@H]2C1 379391815 566304951 /nfs/dbraw/zinc/30/49/51/566304951.db2.gz QLZYTTICBBOMLC-TXEJJXNPSA-N 1 1 179.307 2.685 20 30 AFEDMO C#CC[N@H+](CCC=C(C)C)CC1CC1 1261637928 1170117575 /nfs/dbraw/zinc/11/75/75/1170117575.db2.gz KDEWMFAVPMQKKX-UHFFFAOYSA-N 1 1 191.318 2.688 20 30 AFEDMO CC#CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 1318697002 1170197360 /nfs/dbraw/zinc/19/73/60/1170197360.db2.gz VKSQMHBACWXWKZ-OLZOCXBDSA-N 1 1 191.318 2.522 20 30 AFEDMO CC#CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 1318697006 1170198131 /nfs/dbraw/zinc/19/81/31/1170198131.db2.gz VKSQMHBACWXWKZ-STQMWFEESA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H]1CC[C@H](SC)C1 1319035542 1170198924 /nfs/dbraw/zinc/19/89/24/1170198924.db2.gz JQVXCXCXKAOQIA-MNOVXSKESA-N 1 1 199.363 2.778 20 30 AFEDMO CC#CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 1318697004 1170199156 /nfs/dbraw/zinc/19/91/56/1170199156.db2.gz VKSQMHBACWXWKZ-QWHCGFSZSA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H]1CC[C@@H](SC)C1 1319035544 1170199299 /nfs/dbraw/zinc/19/92/99/1170199299.db2.gz JQVXCXCXKAOQIA-WDEREUQCSA-N 1 1 199.363 2.778 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 1319035541 1170199331 /nfs/dbraw/zinc/19/93/31/1170199331.db2.gz JQVXCXCXKAOQIA-GHMZBOCLSA-N 1 1 199.363 2.778 20 30 AFEDMO CC#CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 1318696993 1170199337 /nfs/dbraw/zinc/19/93/37/1170199337.db2.gz VKSQMHBACWXWKZ-CHWSQXEVSA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H]1CC[C@H](SC)C1 1319035543 1170199592 /nfs/dbraw/zinc/19/95/92/1170199592.db2.gz JQVXCXCXKAOQIA-QWRGUYRKSA-N 1 1 199.363 2.778 20 30 AFEDMO C#CC[N@H+](CCC(C)(C)C)CC1CC1 1319551846 1170200926 /nfs/dbraw/zinc/20/09/26/1170200926.db2.gz LYAYHBJGJCHYSE-UHFFFAOYSA-N 1 1 193.334 2.768 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CC(C)(C)C1(C)C 1320602940 1170206789 /nfs/dbraw/zinc/20/67/89/1170206789.db2.gz YCEUSYNQYFTPEG-LLVKDONJSA-N 1 1 193.334 2.909 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CC(C)(C)C1(C)C 1320602941 1170209173 /nfs/dbraw/zinc/20/91/73/1170209173.db2.gz YCEUSYNQYFTPEG-NSHDSACASA-N 1 1 193.334 2.909 20 30 AFEDMO C#CC[N@H+](CC(CC)CC)CC1CC1 1324776688 1170227962 /nfs/dbraw/zinc/22/79/62/1170227962.db2.gz SLVZEALCPGOPKJ-UHFFFAOYSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CC[N@H+](CC/C=C/CC)CC1CC1 1325574304 1170232429 /nfs/dbraw/zinc/23/24/29/1170232429.db2.gz MOKBKVWLMKCFAH-AATRIKPKSA-N 1 1 191.318 2.688 20 30 AFEDMO C#CC[N@H+](CC/C=C\CC)CC1CC1 1325574306 1170232980 /nfs/dbraw/zinc/23/29/80/1170232980.db2.gz MOKBKVWLMKCFAH-WAYWQWQTSA-N 1 1 191.318 2.688 20 30 AFEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)CC(C)C 1325982176 1170234321 /nfs/dbraw/zinc/23/43/21/1170234321.db2.gz SPCBRWWGEMBQBN-LBPRGKRZSA-N 1 1 193.334 2.766 20 30 AFEDMO C#CC[N@@H+](CC1CC1)[C@H](C)CC(C)C 1325982175 1170237241 /nfs/dbraw/zinc/23/72/41/1170237241.db2.gz SPCBRWWGEMBQBN-GFCCVEGCSA-N 1 1 193.334 2.766 20 30 AFEDMO C=C(Cl)C[N@H+](CC)C(C)(C)C 1330601761 1170281818 /nfs/dbraw/zinc/28/18/18/1170281818.db2.gz PXMZTWTVNPHDDU-UHFFFAOYSA-N 1 1 175.703 2.859 20 30 AFEDMO C=C[C@@H](C)Nc1ccc(CC)c[nH+]1 1337067577 1170385833 /nfs/dbraw/zinc/38/58/33/1170385833.db2.gz YZRJJZRNRGNCMZ-SECBINFHSA-N 1 1 176.263 2.630 20 30 AFEDMO C=C[C@H](C)Nc1ccc(CC)c[nH+]1 1337067579 1170386295 /nfs/dbraw/zinc/38/62/95/1170386295.db2.gz YZRJJZRNRGNCMZ-VIFPVBQESA-N 1 1 176.263 2.630 20 30 AFEDMO C#CC[N@H+](CCCCC=C)CC1CC1 1347840534 1170497700 /nfs/dbraw/zinc/49/77/00/1170497700.db2.gz YWGHEFJZPKMCTM-UHFFFAOYSA-N 1 1 191.318 2.688 20 30 AFEDMO C=C1CCN(c2cccc(C)[nH+]2)CC1 1515459341 1170611642 /nfs/dbraw/zinc/61/16/42/1170611642.db2.gz OQHMBJLETAVWKE-UHFFFAOYSA-N 1 1 188.274 2.546 20 30 AFEDMO CC[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)[C@@H]1C 1617361451 1170810690 /nfs/dbraw/zinc/81/06/90/1170810690.db2.gz UJEOZTAMALCGSL-QJPTWQEYSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)[C@H]1C 1617361452 1170811133 /nfs/dbraw/zinc/81/11/33/1170811133.db2.gz UJEOZTAMALCGSL-SDDRHHMPSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@@H]1CC[N@@H+]([C@H](C)CCC#N)[C@H]1C 1617361449 1170813000 /nfs/dbraw/zinc/81/30/00/1170813000.db2.gz UJEOZTAMALCGSL-GRYCIOLGSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@@H]1CC[N@@H+]([C@H](C)CCC#N)[C@@H]1C 1617361450 1170814516 /nfs/dbraw/zinc/81/45/16/1170814516.db2.gz UJEOZTAMALCGSL-IJLUTSLNSA-N 1 1 194.322 2.799 20 30 AFEDMO CC[C@@H](C)[C@@H](C)[N@@H+](C)CC(C)(C)C#N 1658759554 1170935100 /nfs/dbraw/zinc/93/51/00/1170935100.db2.gz XEHWXJLJFBEKNN-GHMZBOCLSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@H](C)[C@H](C)[N@@H+](C)CC(C)(C)C#N 1658759556 1170937396 /nfs/dbraw/zinc/93/73/96/1170937396.db2.gz XEHWXJLJFBEKNN-QWRGUYRKSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@H](C)[C@@H](C)[N@@H+](C)CC(C)(C)C#N 1658759557 1170937435 /nfs/dbraw/zinc/93/74/35/1170937435.db2.gz XEHWXJLJFBEKNN-WDEREUQCSA-N 1 1 196.338 2.903 20 30 AFEDMO CC[C@@H](C)[C@H](C)[N@@H+](C)CC(C)(C)C#N 1658759555 1170937447 /nfs/dbraw/zinc/93/74/47/1170937447.db2.gz XEHWXJLJFBEKNN-MNOVXSKESA-N 1 1 196.338 2.903 20 30 AFEDMO C#CCC[N@H+](C(CC)CC)C1CC1 687801317 571794819 /nfs/dbraw/zinc/79/48/19/571794819.db2.gz IRJBMGOCXLIBMR-UHFFFAOYSA-N 1 1 179.307 2.663 20 30 AFEDMO C#CC[N@H+](CC(C)C)C1CCCC1 82263278 572017352 /nfs/dbraw/zinc/01/73/52/572017352.db2.gz XUTPPZXGOLPGKB-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)CC1CCCCC1 82493869 572028779 /nfs/dbraw/zinc/02/87/79/572028779.db2.gz JVLUFQLFRBAXKH-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C#CCC[N@H+](CC)CC(CC)CC 82493861 572029815 /nfs/dbraw/zinc/02/98/15/572029815.db2.gz AXYQGGQCBKYWTQ-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO C#CCC[N@H+](CCCCC)C(C)C 82493925 572030697 /nfs/dbraw/zinc/03/06/97/572030697.db2.gz SHUFTIDIFDJIPV-UHFFFAOYSA-N 1 1 181.323 2.910 20 30 AFEDMO C=C(Cl)Cn1cc[nH+]c1CCC 69963934 572161968 /nfs/dbraw/zinc/16/19/68/572161968.db2.gz DQJDNBONFRSITQ-UHFFFAOYSA-N 1 1 184.670 2.588 20 30 AFEDMO C#CCC[N@H+](CC)C1CCCCC1 70159663 572185185 /nfs/dbraw/zinc/18/51/85/572185185.db2.gz QGCFTFSYSDHSHJ-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO C=C(C)CCn1cc[nH+]c1C(C)C 168005168 572204573 /nfs/dbraw/zinc/20/45/73/572204573.db2.gz RRWYXCGDAFVWDV-UHFFFAOYSA-N 1 1 178.279 2.973 20 30 AFEDMO C=C(Cl)C[N@@H+](CCC)CC1CC1 307975006 572326581 /nfs/dbraw/zinc/32/65/81/572326581.db2.gz KCIHJCTYGJVTEB-UHFFFAOYSA-N 1 1 187.714 2.861 20 30 AFEDMO C#CCC[N@H+](CC)C(CC)CC 307976566 572327985 /nfs/dbraw/zinc/32/79/85/572327985.db2.gz LQRQDZJGTQAWKA-UHFFFAOYSA-N 1 1 167.296 2.520 20 30 AFEDMO C#CC[N@H+]1CCC[C@H]1c1cccs1 307063082 572329081 /nfs/dbraw/zinc/32/90/81/572329081.db2.gz PJXNRTWSXWYHBT-JTQLQIEISA-N 1 1 191.299 2.518 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H]1C(C)(C)C 307155596 572345461 /nfs/dbraw/zinc/34/54/61/572345461.db2.gz FBZGYCKISYUIJN-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](CC)[C@H]1CCCC[C@@H]1C 307133637 572359613 /nfs/dbraw/zinc/35/96/13/572359613.db2.gz NARKOYYTTZZKBN-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO CC[N@@H+](CCC(C)(C)C#N)C(C)C 83640498 572362339 /nfs/dbraw/zinc/36/23/39/572362339.db2.gz NRGSJEPHKBQIQG-UHFFFAOYSA-N 1 1 182.311 2.657 20 30 AFEDMO C#CC[N@H+](CC)[C@@H]1CCCC[C@@H]1C 307133636 572364811 /nfs/dbraw/zinc/36/48/11/572364811.db2.gz NARKOYYTTZZKBN-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](CC)[C@@H]1CCCC[C@H]1C 307133638 572386695 /nfs/dbraw/zinc/38/66/95/572386695.db2.gz NARKOYYTTZZKBN-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@H+]1CCC[C@H]1C1CC1 307225266 572398106 /nfs/dbraw/zinc/39/81/06/572398106.db2.gz UGJMUOAWHLGIQP-JTQLQIEISA-N 1 1 185.698 2.613 20 30 AFEDMO C#CCC[N@@H+]1CCC(CC)(CC)C1 87257780 572411320 /nfs/dbraw/zinc/41/13/20/572411320.db2.gz NTLRRISUPSTBCM-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CCCCCC[N@@H+](C)C[C@@H](C)C#N 44413592 572415703 /nfs/dbraw/zinc/41/57/03/572415703.db2.gz WBSQBQSOEUVWPR-NSHDSACASA-N 1 1 182.311 2.658 20 30 AFEDMO C=C(Cl)C[N@H+]1C[C@H]2CC=CC[C@H]2C1 307214372 572416527 /nfs/dbraw/zinc/41/65/27/572416527.db2.gz ZRYPGUVNIPNBNA-PHIMTYICSA-N 1 1 197.709 2.637 20 30 AFEDMO C=CC[N@H+]1CCCC2(CCCC2)C1 307210327 572424403 /nfs/dbraw/zinc/42/44/03/572424403.db2.gz QTMQXINDIPZXRQ-UHFFFAOYSA-N 1 1 179.307 2.829 20 30 AFEDMO C#C[C@H](C)[NH2+]Cc1cscc1Cl 307302138 572435891 /nfs/dbraw/zinc/43/58/91/572435891.db2.gz VBOJVZSVHLTZQW-ZETCQYMHSA-N 1 1 199.706 2.513 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)CC1CCC1 83838965 572436395 /nfs/dbraw/zinc/43/63/95/572436395.db2.gz BOXPKSXTPGIBKE-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)CCC1CC1 83926680 572454685 /nfs/dbraw/zinc/45/46/85/572454685.db2.gz HRDDMPVRBGABJZ-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C=C(Cl)C[N@H+]1CCC[C@@H](C2CC2)C1 307319635 572460164 /nfs/dbraw/zinc/46/01/64/572460164.db2.gz TVWYDXBMMFUIPM-LLVKDONJSA-N 1 1 199.725 2.861 20 30 AFEDMO C#C[C@@H](C)[NH2+]Cc1cscc1Cl 307302137 572477640 /nfs/dbraw/zinc/47/76/40/572477640.db2.gz VBOJVZSVHLTZQW-SSDOTTSWSA-N 1 1 199.706 2.513 20 30 AFEDMO C=C(Cl)C[N@H+](C)[C@H](C)C1(C)CC1 308057478 572542044 /nfs/dbraw/zinc/54/20/44/572542044.db2.gz VBEGZOCRYAOXCD-SECBINFHSA-N 1 1 187.714 2.859 20 30 AFEDMO C=C(Cl)C[N@H+](C)[C@@H](C)C1(C)CC1 308057481 572545294 /nfs/dbraw/zinc/54/52/94/572545294.db2.gz VBEGZOCRYAOXCD-VIFPVBQESA-N 1 1 187.714 2.859 20 30 AFEDMO C=CCC[N@@H+]1C[C@@H](C)CC1(C)C 306161637 572567433 /nfs/dbraw/zinc/56/74/33/572567433.db2.gz NGTMQBBTOGTMBP-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(Cl)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 306270609 572570415 /nfs/dbraw/zinc/57/04/15/572570415.db2.gz UREQPKDJWTUDQH-DTORHVGOSA-N 1 1 187.714 2.717 20 30 AFEDMO C=C(C)CC[N@H+]1CC2CCC1CC2 306293167 572577461 /nfs/dbraw/zinc/57/74/61/572577461.db2.gz UFGRNGQNAIMCJQ-UHFFFAOYSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 306287948 572581673 /nfs/dbraw/zinc/58/16/73/572581673.db2.gz LUMQNTNUYDZPBJ-NEPJUHHUSA-N 1 1 179.307 2.685 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)s1 306284033 572583155 /nfs/dbraw/zinc/58/31/55/572583155.db2.gz IZUZNOHIHWGGPP-VIFPVBQESA-N 1 1 193.315 2.510 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCCC(C)(C)C1 307528403 572584353 /nfs/dbraw/zinc/58/43/53/572584353.db2.gz GSAZRRGBFNWAHC-UHFFFAOYSA-N 1 1 187.714 2.861 20 30 AFEDMO C=CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 306287949 572588284 /nfs/dbraw/zinc/58/82/84/572588284.db2.gz LUMQNTNUYDZPBJ-RYUDHWBXSA-N 1 1 179.307 2.685 20 30 AFEDMO C#CC[N@@H+]1CCCC[C@H]1[C@@H](C)CC 306291211 572588835 /nfs/dbraw/zinc/58/88/35/572588835.db2.gz QSQKCCDPQGCPNL-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)[C@@H]1CCC(C)(C)C1 306363364 572606085 /nfs/dbraw/zinc/60/60/85/572606085.db2.gz XTAKOTRGTZZIHI-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+](C)[C@H]1CCC(C)(C)C1 306363365 572607473 /nfs/dbraw/zinc/60/74/73/572607473.db2.gz XTAKOTRGTZZIHI-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+]1C[C@H](C)CCC[C@H]1C 306315902 572615828 /nfs/dbraw/zinc/61/58/28/572615828.db2.gz GYZOSJBFEABYBF-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 306362646 572616682 /nfs/dbraw/zinc/61/66/82/572616682.db2.gz UJEWGBJKBIHATM-IUCAKERBSA-N 1 1 187.714 2.717 20 30 AFEDMO C=C(Cl)C[N@H+](C)[C@H](C)C(C)C 307622970 572619136 /nfs/dbraw/zinc/61/91/36/572619136.db2.gz DDIPQJJCBQMXLQ-SECBINFHSA-N 1 1 175.703 2.715 20 30 AFEDMO C#CCC[N@H+]1C[C@@H](C)CCC[C@H]1C 306315892 572621587 /nfs/dbraw/zinc/62/15/87/572621587.db2.gz GYZOSJBFEABYBF-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+]1C[C@@H](C)CCC[C@@H]1C 306315896 572621759 /nfs/dbraw/zinc/62/17/59/572621759.db2.gz GYZOSJBFEABYBF-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@H+]1C[C@H](C)CCC[C@@H]1C 306315887 572624207 /nfs/dbraw/zinc/62/42/07/572624207.db2.gz GYZOSJBFEABYBF-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](C)CC1CCCCCC1 307628607 572625769 /nfs/dbraw/zinc/62/57/69/572625769.db2.gz MNZZAIFGULHAQR-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C)[C@H]1C 306401502 572629514 /nfs/dbraw/zinc/62/95/14/572629514.db2.gz PPJDDMRHMYDXRY-WCBMZHEXSA-N 1 1 187.714 2.859 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CC 306412457 572629793 /nfs/dbraw/zinc/62/97/93/572629793.db2.gz LOOYJMKNZWXOPQ-VIFPVBQESA-N 1 1 173.687 2.613 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C)[C@@H]1C 306401494 572631570 /nfs/dbraw/zinc/63/15/70/572631570.db2.gz PPJDDMRHMYDXRY-SCZZXKLOSA-N 1 1 187.714 2.859 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C)[C@H]1C 306401488 572634531 /nfs/dbraw/zinc/63/45/31/572634531.db2.gz PPJDDMRHMYDXRY-PSASIEDQSA-N 1 1 187.714 2.859 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CC 306412456 572637883 /nfs/dbraw/zinc/63/78/83/572637883.db2.gz LOOYJMKNZWXOPQ-SECBINFHSA-N 1 1 173.687 2.613 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1C/C=C\Cl 308084193 572639883 /nfs/dbraw/zinc/63/98/83/572639883.db2.gz MEWLULPEFWATPP-BXKUYDPTSA-N 1 1 185.698 2.779 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1C/C=C\Cl 308084194 572640409 /nfs/dbraw/zinc/64/04/09/572640409.db2.gz MEWLULPEFWATPP-ONRRBMGISA-N 1 1 185.698 2.779 20 30 AFEDMO C=C(Cl)C[N@H+]1[C@@H](C)CC[C@H]1C 306458944 572641438 /nfs/dbraw/zinc/64/14/38/572641438.db2.gz GAHLKNILUPAKIZ-DTORHVGOSA-N 1 1 173.687 2.612 20 30 AFEDMO C=C(CC)C[N@@H+](CCC#N)CC(C)C 85059081 572644239 /nfs/dbraw/zinc/64/42/39/572644239.db2.gz UKYUAEQCKLUVRW-UHFFFAOYSA-N 1 1 194.322 2.824 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1C 306448805 572649786 /nfs/dbraw/zinc/64/97/86/572649786.db2.gz XGESZQNYLNVUHD-SECBINFHSA-N 1 1 173.687 2.613 20 30 AFEDMO C=CCC[N@@H+]1CC(C)(C)C1(C)C 306433929 572656010 /nfs/dbraw/zinc/65/60/10/572656010.db2.gz YIIYPTTZSZLGEA-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)Cc1sccc1C 306538995 572672803 /nfs/dbraw/zinc/67/28/03/572672803.db2.gz PMGKRAPUQYGTHN-SNVBAGLBSA-N 1 1 193.315 2.510 20 30 AFEDMO C#CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCC 306511986 572675525 /nfs/dbraw/zinc/67/55/25/572675525.db2.gz ONAZASFZTRWJCV-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+]1CCC[C@H](C)[C@@H]1CCC 306511988 572675537 /nfs/dbraw/zinc/67/55/37/572675537.db2.gz ONAZASFZTRWJCV-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@H+](C)C(C)(C)CC 307644008 572675864 /nfs/dbraw/zinc/67/58/64/572675864.db2.gz RKSWMQZKSJBZTO-UHFFFAOYSA-N 1 1 175.703 2.859 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CC)C1 306510811 572677018 /nfs/dbraw/zinc/67/70/18/572677018.db2.gz LQIRZGGQRPZCFL-JTQLQIEISA-N 1 1 187.714 2.861 20 30 AFEDMO C=C(Cl)C[N@H+](C)CC(C)(C)C 307686346 572677356 /nfs/dbraw/zinc/67/73/56/572677356.db2.gz KBTYPENSTFMBQQ-UHFFFAOYSA-N 1 1 175.703 2.717 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)CC1CCCCC1 307681281 572677385 /nfs/dbraw/zinc/67/73/85/572677385.db2.gz PRADVXMIJPFAHU-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@H+](CC)C1CCC1 307665755 572682293 /nfs/dbraw/zinc/68/22/93/572682293.db2.gz BUHLKHLIVMVTIZ-UHFFFAOYSA-N 1 1 173.687 2.613 20 30 AFEDMO C=C(Cl)C[N@H+](C)C[C@H](C)CC 307868003 572682622 /nfs/dbraw/zinc/68/26/22/572682622.db2.gz KEFHTXBICUGOMA-MRVPVSSYSA-N 1 1 175.703 2.717 20 30 AFEDMO C=C(Cl)C[N@H+](C)C[C@@H](C)CC 307868013 572682743 /nfs/dbraw/zinc/68/27/43/572682743.db2.gz KEFHTXBICUGOMA-QMMMGPOBSA-N 1 1 175.703 2.717 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)Cc1sccc1C 306538994 572683255 /nfs/dbraw/zinc/68/32/55/572683255.db2.gz PMGKRAPUQYGTHN-JTQLQIEISA-N 1 1 193.315 2.510 20 30 AFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CC)C1 306510812 572689401 /nfs/dbraw/zinc/68/94/01/572689401.db2.gz LQIRZGGQRPZCFL-SNVBAGLBSA-N 1 1 187.714 2.861 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)CC1CCCCC1 307681280 572691866 /nfs/dbraw/zinc/69/18/66/572691866.db2.gz PRADVXMIJPFAHU-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+]1CCC[C@H](C)[C@H]1CCC 306511987 572692034 /nfs/dbraw/zinc/69/20/34/572692034.db2.gz ONAZASFZTRWJCV-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC 306511989 572695455 /nfs/dbraw/zinc/69/54/55/572695455.db2.gz ONAZASFZTRWJCV-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@H+](C)[C@@H](C)C(C)C 307622971 572701989 /nfs/dbraw/zinc/70/19/89/572701989.db2.gz DDIPQJJCBQMXLQ-VIFPVBQESA-N 1 1 175.703 2.715 20 30 AFEDMO C=C(Cl)C[N@H+](C)C1CCCC1 306613038 572707645 /nfs/dbraw/zinc/70/76/45/572707645.db2.gz JYCQOFKIMYPAPH-UHFFFAOYSA-N 1 1 173.687 2.613 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H]1CC 306629689 572709185 /nfs/dbraw/zinc/70/91/85/572709185.db2.gz KGSSEYUJPLZNFI-WPRPVWTQSA-N 1 1 187.714 2.859 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H]1CC 306629682 572710181 /nfs/dbraw/zinc/71/01/81/572710181.db2.gz KGSSEYUJPLZNFI-PSASIEDQSA-N 1 1 187.714 2.859 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H]1CC 306629685 572723408 /nfs/dbraw/zinc/72/34/08/572723408.db2.gz KGSSEYUJPLZNFI-SCZZXKLOSA-N 1 1 187.714 2.859 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H]1CC 306629687 572733045 /nfs/dbraw/zinc/73/30/45/572733045.db2.gz KGSSEYUJPLZNFI-WCBMZHEXSA-N 1 1 187.714 2.859 20 30 AFEDMO C=CCCC[N@H+](CC)C(C)C 307898531 572744079 /nfs/dbraw/zinc/74/40/79/572744079.db2.gz KXOGEDXLOFHBLY-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CC[N@H+](CC(=C)Cl)C(C)C 307904128 572750036 /nfs/dbraw/zinc/75/00/36/572750036.db2.gz QFGUFMYOBCXINE-UHFFFAOYSA-N 1 1 173.687 2.635 20 30 AFEDMO C=CC[N@@H+](CC(=C)Cl)C(C)C 307904128 572750041 /nfs/dbraw/zinc/75/00/41/572750041.db2.gz QFGUFMYOBCXINE-UHFFFAOYSA-N 1 1 173.687 2.635 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C)C[C@H]1C 306710059 572753278 /nfs/dbraw/zinc/75/32/78/572753278.db2.gz MLEQXTMOTAYFPB-PSASIEDQSA-N 1 1 187.714 2.859 20 30 AFEDMO C=CCC[N@@H+](C)C/C(Cl)=C/Cl 307921704 572758334 /nfs/dbraw/zinc/75/83/34/572758334.db2.gz LURVFKKHUPVFMP-VURMDHGXSA-N 1 1 194.105 2.813 20 30 AFEDMO C=CCC[N@H+](C)C/C(Cl)=C/Cl 307921704 572758337 /nfs/dbraw/zinc/75/83/37/572758337.db2.gz LURVFKKHUPVFMP-VURMDHGXSA-N 1 1 194.105 2.813 20 30 AFEDMO C=CCC[N@@H+](C)C/C(Cl)=C\Cl 307921703 572758514 /nfs/dbraw/zinc/75/85/14/572758514.db2.gz LURVFKKHUPVFMP-SOFGYWHQSA-N 1 1 194.105 2.813 20 30 AFEDMO C=CCC[N@H+](C)C/C(Cl)=C\Cl 307921703 572758515 /nfs/dbraw/zinc/75/85/15/572758515.db2.gz LURVFKKHUPVFMP-SOFGYWHQSA-N 1 1 194.105 2.813 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@](C)(CC)C1 307747817 572764574 /nfs/dbraw/zinc/76/45/74/572764574.db2.gz ZYMNSAIFGODRKG-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO C#C[C@@H](C)[NH2+]Cc1ccsc1Cl 307712876 572766580 /nfs/dbraw/zinc/76/65/80/572766580.db2.gz YPAZNZXVVZGWMC-SSDOTTSWSA-N 1 1 199.706 2.513 20 30 AFEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)CC1(C)C 307749222 572772850 /nfs/dbraw/zinc/77/28/50/572772850.db2.gz FVBDFARKWZTXDN-QMMMGPOBSA-N 1 1 187.714 2.859 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@](C)(CC)C1 307747816 572773751 /nfs/dbraw/zinc/77/37/51/572773751.db2.gz ZYMNSAIFGODRKG-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO C=C(C)CC[N@H+](CC)C(C)C 307927692 572775070 /nfs/dbraw/zinc/77/50/70/572775070.db2.gz SSTFRMBSROLIFM-UHFFFAOYSA-N 1 1 155.285 2.683 20 30 AFEDMO C#C[C@H](C)[NH2+]Cc1ccsc1Cl 307712877 572788143 /nfs/dbraw/zinc/78/81/43/572788143.db2.gz YPAZNZXVVZGWMC-ZETCQYMHSA-N 1 1 199.706 2.513 20 30 AFEDMO C=C[C@H]1CCCC[N@H+]1CC(=C)Cl 307712060 572790173 /nfs/dbraw/zinc/79/01/73/572790173.db2.gz WCBLOUFVXQNCJD-JTQLQIEISA-N 1 1 185.698 2.779 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=C)Cl 307712060 572790176 /nfs/dbraw/zinc/79/01/76/572790176.db2.gz WCBLOUFVXQNCJD-JTQLQIEISA-N 1 1 185.698 2.779 20 30 AFEDMO C=CC[N@@H+](C[Si](C)(C)C)C(C)C 308132686 572804300 /nfs/dbraw/zinc/80/43/00/572804300.db2.gz YKNVBIXSENCOOW-UHFFFAOYSA-N 1 1 185.387 2.760 20 30 AFEDMO C=CC[N@H+](CCC(=C)C)C(C)C 308135379 572817586 /nfs/dbraw/zinc/81/75/86/572817586.db2.gz ZOBDWNYSCLTSSZ-UHFFFAOYSA-N 1 1 167.296 2.849 20 30 AFEDMO C#CCCC[N@H+](C(C)C)C1CCC1 308141290 572826203 /nfs/dbraw/zinc/82/62/03/572826203.db2.gz IQGGWMDEBMIJQF-UHFFFAOYSA-N 1 1 179.307 2.663 20 30 AFEDMO C=CC[N@H+](CC(=C)CC)C(C)C 307957932 572839072 /nfs/dbraw/zinc/83/90/72/572839072.db2.gz SNRUNIPLECXIBS-UHFFFAOYSA-N 1 1 167.296 2.849 20 30 AFEDMO C=CC[N@H+](CCC(C)C)C(C)C 307962655 572854535 /nfs/dbraw/zinc/85/45/35/572854535.db2.gz NESZPQGFIBFOCC-UHFFFAOYSA-N 1 1 169.312 2.929 20 30 AFEDMO C#CCC[N@@H+](CC1CCC1)C(C)C 308156998 572870044 /nfs/dbraw/zinc/87/00/44/572870044.db2.gz SAEIFKVGTVMILI-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](CCC(C)(C)C)C1CC1 308165277 572882866 /nfs/dbraw/zinc/88/28/66/572882866.db2.gz XKDRIWGAIZFZHL-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+]1CCC[C@@H]1c1cccs1 307063085 572882905 /nfs/dbraw/zinc/88/29/05/572882905.db2.gz PJXNRTWSXWYHBT-SNVBAGLBSA-N 1 1 191.299 2.518 20 30 AFEDMO C=CC[N@H+](C(C)C)[C@@H]1C=CCCC1 308165257 572883065 /nfs/dbraw/zinc/88/30/65/572883065.db2.gz XJQJJEUVCQITBR-GFCCVEGCSA-N 1 1 179.307 2.992 20 30 AFEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)CC(C)C 308168563 572888880 /nfs/dbraw/zinc/88/88/80/572888880.db2.gz YOJDZWLNBOWCAV-RYUDHWBXSA-N 1 1 181.323 2.622 20 30 AFEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)CC(C)C 308168561 572889175 /nfs/dbraw/zinc/88/91/75/572889175.db2.gz YOJDZWLNBOWCAV-NWDGAFQWSA-N 1 1 181.323 2.622 20 30 AFEDMO C#C[C@@H](C)[N@H+](C)C[C@H](C)CC(C)C 308168565 572890416 /nfs/dbraw/zinc/89/04/16/572890416.db2.gz YOJDZWLNBOWCAV-VXGBXAGGSA-N 1 1 181.323 2.622 20 30 AFEDMO C=C(C)C[N@H+](CC)C[Si](C)(C)C 307972874 572892801 /nfs/dbraw/zinc/89/28/01/572892801.db2.gz ILAXDDZABFKAMI-UHFFFAOYSA-N 1 1 185.387 2.762 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H]1CC(C)C 308164390 572894839 /nfs/dbraw/zinc/89/48/39/572894839.db2.gz WTBZQJOTYYXJLN-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H]1CC(C)C 308164391 572896738 /nfs/dbraw/zinc/89/67/38/572896738.db2.gz WTBZQJOTYYXJLN-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCCC[N@H+](CC)CC(C)(C)C 308189791 572917896 /nfs/dbraw/zinc/91/78/96/572917896.db2.gz ILRSWAUAFFOQQT-UHFFFAOYSA-N 1 1 181.323 2.768 20 30 AFEDMO C#C[C@H](C)[N@H+](C)CCCCCCC 308215696 572992902 /nfs/dbraw/zinc/99/29/02/572992902.db2.gz JFDXOOPCEHJFIV-LBPRGKRZSA-N 1 1 181.323 2.910 20 30 AFEDMO C#C[C@@H](C)[N@H+](C)CCCCCCC 308215695 572993177 /nfs/dbraw/zinc/99/31/77/572993177.db2.gz JFDXOOPCEHJFIV-GFCCVEGCSA-N 1 1 181.323 2.910 20 30 AFEDMO C#CC[N@H+](C)C[C@H](CC)CCCC 308231864 573003319 /nfs/dbraw/zinc/00/33/19/573003319.db2.gz PDEFKNYOKBYIHN-GFCCVEGCSA-N 1 1 181.323 2.768 20 30 AFEDMO C#CC[N@H+](C)C[C@@H](CC)CCCC 308231865 573004153 /nfs/dbraw/zinc/00/41/53/573004153.db2.gz PDEFKNYOKBYIHN-LBPRGKRZSA-N 1 1 181.323 2.768 20 30 AFEDMO C=CC[N@H+](C(C)C)[C@H]1C=CCCC1 308165258 573005896 /nfs/dbraw/zinc/00/58/96/573005896.db2.gz XJQJJEUVCQITBR-LBPRGKRZSA-N 1 1 179.307 2.992 20 30 AFEDMO CCCCCO[NH+]=C(N)CC(C)C 308223351 573015017 /nfs/dbraw/zinc/01/50/17/573015017.db2.gz MBYBXZIXADUOMX-UHFFFAOYSA-N 1 1 186.299 2.512 20 30 AFEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)CCC 308484849 573021832 /nfs/dbraw/zinc/02/18/32/573021832.db2.gz OQNOFWNWIFSZDN-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+](CC)CCCCCC=C 308245453 573069993 /nfs/dbraw/zinc/06/99/93/573069993.db2.gz VGBIYEWZFCBQMC-UHFFFAOYSA-N 1 1 179.307 2.688 20 30 AFEDMO C#CC[N@@H+]1CCC[C@H]1CCCCC 308247243 573074429 /nfs/dbraw/zinc/07/44/29/573074429.db2.gz XHKMPDLCHWNVBW-GFCCVEGCSA-N 1 1 179.307 2.664 20 30 AFEDMO C#CC[N@@H+]1CCC[C@@H]1CCCCC 308247244 573076128 /nfs/dbraw/zinc/07/61/28/573076128.db2.gz XHKMPDLCHWNVBW-LBPRGKRZSA-N 1 1 179.307 2.664 20 30 AFEDMO CCCC[N@@H+](CCC#N)CC(C)C 49800719 573089937 /nfs/dbraw/zinc/08/99/37/573089937.db2.gz AFKVVLSZZQXFRT-UHFFFAOYSA-N 1 1 182.311 2.658 20 30 AFEDMO C#CCC[N@@H+](C)CCCCCC=C 308283875 573155445 /nfs/dbraw/zinc/15/54/45/573155445.db2.gz ZJJHESPHTPZZEI-UHFFFAOYSA-N 1 1 179.307 2.688 20 30 AFEDMO C#C[C@@H](C)[N@H+](C)CCC(C)(C)CC 308307150 573201725 /nfs/dbraw/zinc/20/17/25/573201725.db2.gz OZBUVJOCXPVMGD-LLVKDONJSA-N 1 1 181.323 2.766 20 30 AFEDMO C#CC[N@@H+](C1CC1)[C@@H](C)[C@H](C)CC 308318403 573220315 /nfs/dbraw/zinc/22/03/15/573220315.db2.gz XDDOTFIBQSUWOZ-MNOVXSKESA-N 1 1 179.307 2.519 20 30 AFEDMO Cc1ccc(Cl)c([C@H]([NH3+])CC#N)c1 238482001 573694067 /nfs/dbraw/zinc/69/40/67/573694067.db2.gz PTRUZXCEABUJAL-SNVBAGLBSA-N 1 1 194.665 2.562 20 30 AFEDMO C#CC[N@@H+](C)CCCC1CCCC1 308425129 573701602 /nfs/dbraw/zinc/70/16/02/573701602.db2.gz QRFTZCWFDBGLNK-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C[C@H]1C[N@@H+](CCCCC#N)C(C)(C)C1 308426361 573732891 /nfs/dbraw/zinc/73/28/91/573732891.db2.gz SSDYYEIEGVUPNQ-LLVKDONJSA-N 1 1 194.322 2.801 20 30 AFEDMO C#CC[N@H+](CC)CC1CCCCC1 308433942 573788324 /nfs/dbraw/zinc/78/83/24/573788324.db2.gz VBFSYSGKEMYWJI-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C=C(Cl)Cn1cc[nH+]c1C(C)C 69950246 573886887 /nfs/dbraw/zinc/88/68/87/573886887.db2.gz PUIFWVIODFQIKC-UHFFFAOYSA-N 1 1 184.670 2.759 20 30 AFEDMO C#CCCC[N@H+]1C[C@H](CC)CC[C@H]1C 308461902 573905993 /nfs/dbraw/zinc/90/59/93/573905993.db2.gz GKZICPDKRWQIHS-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO CCCCCC[N@@H+](C)C[C@H](C)C#N 44413594 573911631 /nfs/dbraw/zinc/91/16/31/573911631.db2.gz WBSQBQSOEUVWPR-LLVKDONJSA-N 1 1 182.311 2.658 20 30 AFEDMO C#CCCC[N@H+](CC)CCC1CC1 308464126 573924571 /nfs/dbraw/zinc/92/45/71/573924571.db2.gz IKBPYKFAWVKICP-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C=C(CC)Cn1cc(C)[nH+]c1CC 715071779 573935889 /nfs/dbraw/zinc/93/58/89/573935889.db2.gz IPXRPXVFMYWXNZ-UHFFFAOYSA-N 1 1 178.279 2.720 20 30 AFEDMO Cc1ccc([C@H]([NH3+])CC#N)c(Cl)c1 104509227 574019403 /nfs/dbraw/zinc/01/94/03/574019403.db2.gz YQOPGVQVXZXWFR-SNVBAGLBSA-N 1 1 194.665 2.562 20 30 AFEDMO C=C(C)C[N@@H+](CC)CCOCC(C)C 669687661 486732006 /nfs/dbraw/zinc/73/20/06/486732006.db2.gz SQMMEEKRBNJKLX-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO CC#CC[N@@H+](C)[C@H](C)C1CCCCC1 669944786 486735927 /nfs/dbraw/zinc/73/59/27/486735927.db2.gz UEJNFXRJMRLAJZ-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@@H+](C)[C@@H](C)C1CCCCC1 669944787 486736068 /nfs/dbraw/zinc/73/60/68/486736068.db2.gz UEJNFXRJMRLAJZ-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO C=C(C)C[N@@H+](CC)CC(C)C 671286794 486746542 /nfs/dbraw/zinc/74/65/42/486746542.db2.gz LTUAYGXTVHNQMO-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=CC[N@H+](C)C1CCCCCC1 671308556 486747613 /nfs/dbraw/zinc/74/76/13/486747613.db2.gz RKSPNJRYWNMANA-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO CC#CC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 673713925 486775947 /nfs/dbraw/zinc/77/59/47/486775947.db2.gz REBNWNXLNUBSNI-TZMCWYRMSA-N 1 1 199.297 2.703 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 673713916 486775965 /nfs/dbraw/zinc/77/59/65/486775965.db2.gz REBNWNXLNUBSNI-GXTWGEPZSA-N 1 1 199.297 2.703 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 673713922 486776193 /nfs/dbraw/zinc/77/61/93/486776193.db2.gz REBNWNXLNUBSNI-JSGCOSHPSA-N 1 1 199.297 2.703 20 30 AFEDMO CC#CC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 673713924 486776722 /nfs/dbraw/zinc/77/67/22/486776722.db2.gz REBNWNXLNUBSNI-OCCSQVGLSA-N 1 1 199.297 2.703 20 30 AFEDMO C=CC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 674007442 486785219 /nfs/dbraw/zinc/78/52/19/486785219.db2.gz IYEQDBXSGQVAMB-DGCLKSJQSA-N 1 1 187.286 2.865 20 30 AFEDMO C=CC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 674007443 486784688 /nfs/dbraw/zinc/78/46/88/486784688.db2.gz IYEQDBXSGQVAMB-WCQYABFASA-N 1 1 187.286 2.865 20 30 AFEDMO C=C(C)C[N@H+](CC)C[C@@H](C)CC 674007628 486784934 /nfs/dbraw/zinc/78/49/34/486784934.db2.gz NOMIBHVOCMYLAE-NSHDSACASA-N 1 1 169.312 2.931 20 30 AFEDMO C=C(C)C[N@H+](CC)C[C@H](C)CC 674007627 486785340 /nfs/dbraw/zinc/78/53/40/486785340.db2.gz NOMIBHVOCMYLAE-LLVKDONJSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 674007441 486785442 /nfs/dbraw/zinc/78/54/42/486785442.db2.gz IYEQDBXSGQVAMB-AAEUAGOBSA-N 1 1 187.286 2.865 20 30 AFEDMO C=CC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 674007444 486785497 /nfs/dbraw/zinc/78/54/97/486785497.db2.gz IYEQDBXSGQVAMB-YPMHNXCESA-N 1 1 187.286 2.865 20 30 AFEDMO C=CC[N@H+]1CC[C@@H]1c1cccc(F)c1 674009485 486785883 /nfs/dbraw/zinc/78/58/83/486785883.db2.gz IOEJNQKSCPBDFF-GFCCVEGCSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 674009485 486785888 /nfs/dbraw/zinc/78/58/88/486785888.db2.gz IOEJNQKSCPBDFF-GFCCVEGCSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CC[N@H+]1CC[C@H]1c1cccc(F)c1 674009486 486786433 /nfs/dbraw/zinc/78/64/33/486786433.db2.gz IOEJNQKSCPBDFF-LBPRGKRZSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CC[N@@H+]1CC[C@H]1c1cccc(F)c1 674009486 486786439 /nfs/dbraw/zinc/78/64/39/486786439.db2.gz IOEJNQKSCPBDFF-LBPRGKRZSA-N 1 1 191.249 2.759 20 30 AFEDMO C=CCCCn1cc[nH+]c1CCC 70595701 486787437 /nfs/dbraw/zinc/78/74/37/486787437.db2.gz XEEKDZUUMCQKGF-UHFFFAOYSA-N 1 1 178.279 2.802 20 30 AFEDMO C=CCCCn1cc[nH+]c1C(C)C 70595699 486787646 /nfs/dbraw/zinc/78/76/46/486787646.db2.gz UMWOEYOOTAFRNU-UHFFFAOYSA-N 1 1 178.279 2.973 20 30 AFEDMO C=CCCn1cc[nH+]c1C(C)C 70595700 486787750 /nfs/dbraw/zinc/78/77/50/486787750.db2.gz SOHKBTREAQQHNR-UHFFFAOYSA-N 1 1 164.252 2.583 20 30 AFEDMO C=CC[N@@H+](C)CCCc1ccccc1 79673632 486803812 /nfs/dbraw/zinc/80/38/12/486803812.db2.gz SHXGIFRIDNXWNW-UHFFFAOYSA-N 1 1 189.302 2.737 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)C1(C)CC1 674507745 486804744 /nfs/dbraw/zinc/80/47/44/486804744.db2.gz QZNDHEIPHKEBKF-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)C1(C)CC1 674507742 486804859 /nfs/dbraw/zinc/80/48/59/486804859.db2.gz QZNDHEIPHKEBKF-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+](CCC)CC1CC1 674786709 486812170 /nfs/dbraw/zinc/81/21/70/486812170.db2.gz JTDXVBOZTGJDOI-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@@H+](CC)CCC(F)(F)F 674782692 486812212 /nfs/dbraw/zinc/81/22/12/486812212.db2.gz UFCYYBXJYVATSD-UHFFFAOYSA-N 1 1 195.228 2.837 20 30 AFEDMO CC#CC[N@@H+](C)C1CCC(C)(C)CC1 674872352 486820745 /nfs/dbraw/zinc/82/07/45/486820745.db2.gz YGBVRFCUYVKEGQ-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@H+]1CCCC[C@H]1CC(C)C 675127525 486828995 /nfs/dbraw/zinc/82/89/95/486828995.db2.gz VLBKAYKPDAYRGI-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@H+]1CCCC[C@@H]1CC(C)C 675127524 486829433 /nfs/dbraw/zinc/82/94/33/486829433.db2.gz VLBKAYKPDAYRGI-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@](C)(CC)C1 675186126 486830013 /nfs/dbraw/zinc/83/00/13/486830013.db2.gz KCHGZIXZXRGNDI-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@@](C)(CC)C1 675186125 486830056 /nfs/dbraw/zinc/83/00/56/486830056.db2.gz KCHGZIXZXRGNDI-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO CC#CC[N@H+]1CCC[C@@H](CC(C)C)C1 675250617 486832589 /nfs/dbraw/zinc/83/25/89/486832589.db2.gz RLKBTAHCQMUQNO-ZDUSSCGKSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CC[N@H+]1CCC[C@H](CC(C)C)C1 675250605 486832617 /nfs/dbraw/zinc/83/26/17/486832617.db2.gz RLKBTAHCQMUQNO-CYBMUJFWSA-N 1 1 193.334 2.768 20 30 AFEDMO C=C(C)CN(CC)c1cc(C)cc[nH+]1 676306944 486859282 /nfs/dbraw/zinc/85/92/82/486859282.db2.gz PTEZPVZTYYSAPQ-UHFFFAOYSA-N 1 1 190.290 2.792 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 677047191 486875432 /nfs/dbraw/zinc/87/54/32/486875432.db2.gz VMJCUDYXPWHUIF-XQQFMLRXSA-N 1 1 193.334 2.766 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](CC)C1 677047172 486876091 /nfs/dbraw/zinc/87/60/91/486876091.db2.gz VIVJDQJGPUKDIR-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 677047188 486876108 /nfs/dbraw/zinc/87/61/08/486876108.db2.gz VMJCUDYXPWHUIF-FRRDWIJNSA-N 1 1 193.334 2.766 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](CC)C1 677047169 486876206 /nfs/dbraw/zinc/87/62/06/486876206.db2.gz VIVJDQJGPUKDIR-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](CC)C1 677047170 486876257 /nfs/dbraw/zinc/87/62/57/486876257.db2.gz VIVJDQJGPUKDIR-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](CC)C1 677047167 486876507 /nfs/dbraw/zinc/87/65/07/486876507.db2.gz VIVJDQJGPUKDIR-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CC[N@@H+]1CC=C(C(C)(C)C)CC1 677561668 486890421 /nfs/dbraw/zinc/89/04/21/486890421.db2.gz WTGXULYMJPNBAD-UHFFFAOYSA-N 1 1 191.318 2.688 20 30 AFEDMO CC#CC[N@H+]1CCCC12CCCCC2 677569135 486890665 /nfs/dbraw/zinc/89/06/65/486890665.db2.gz OCBCPEGQNIJOHH-UHFFFAOYSA-N 1 1 191.318 2.808 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cccnc1 677801299 486898212 /nfs/dbraw/zinc/89/82/12/486898212.db2.gz UQYGZOVZKNAXNS-NSHDSACASA-N 1 1 190.290 2.651 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccccn1 677801292 486898257 /nfs/dbraw/zinc/89/82/57/486898257.db2.gz UDYWVVMNYPXWPB-LLVKDONJSA-N 1 1 190.290 2.651 20 30 AFEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccccn1 677801293 486898412 /nfs/dbraw/zinc/89/84/12/486898412.db2.gz UDYWVVMNYPXWPB-NSHDSACASA-N 1 1 190.290 2.651 20 30 AFEDMO C=C(C)C[N@H+](C)[C@H](C)c1cccnc1 677801298 486898688 /nfs/dbraw/zinc/89/86/88/486898688.db2.gz UQYGZOVZKNAXNS-LLVKDONJSA-N 1 1 190.290 2.651 20 30 AFEDMO C=CC[NH+](CC=C)Cc1occc1C 678120788 486917462 /nfs/dbraw/zinc/91/74/62/486917462.db2.gz NXAUGXRSSXLZEQ-UHFFFAOYSA-N 1 1 191.274 2.762 20 30 AFEDMO C=CCC[N@H+](C)[C@@H](C)c1ccccn1 678163919 486922840 /nfs/dbraw/zinc/92/28/40/486922840.db2.gz OJYIKCSJGUKTKO-NSHDSACASA-N 1 1 190.290 2.651 20 30 AFEDMO C=CCC[N@H+](C)[C@H](C)c1ccccn1 678163918 486922923 /nfs/dbraw/zinc/92/29/23/486922923.db2.gz OJYIKCSJGUKTKO-LLVKDONJSA-N 1 1 190.290 2.651 20 30 AFEDMO CCC#C[C@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 678220243 486926848 /nfs/dbraw/zinc/92/68/48/486926848.db2.gz UAVKKVIWODCPIY-RWMBFGLXSA-N 1 1 191.318 2.520 20 30 AFEDMO CCC#C[C@@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 678220244 486927184 /nfs/dbraw/zinc/92/71/84/486927184.db2.gz UAVKKVIWODCPIY-UPJWGTAASA-N 1 1 191.318 2.520 20 30 AFEDMO C=CCC[N@H+](C)[C@@H](C)c1ccncc1 678313939 486932014 /nfs/dbraw/zinc/93/20/14/486932014.db2.gz KKDKNXAXBRXQDQ-NSHDSACASA-N 1 1 190.290 2.651 20 30 AFEDMO C=CC[N@H+](C)[C@H](CC)c1ccncc1 678315784 486932216 /nfs/dbraw/zinc/93/22/16/486932216.db2.gz XQKMPXGAHVAVSC-GFCCVEGCSA-N 1 1 190.290 2.651 20 30 AFEDMO C=CCC[N@H+](C)[C@H](C)c1ccncc1 678313938 486932255 /nfs/dbraw/zinc/93/22/55/486932255.db2.gz KKDKNXAXBRXQDQ-LLVKDONJSA-N 1 1 190.290 2.651 20 30 AFEDMO C=CC[N@H+](C)[C@@H](CC)c1ccncc1 678315785 486932402 /nfs/dbraw/zinc/93/24/02/486932402.db2.gz XQKMPXGAHVAVSC-LBPRGKRZSA-N 1 1 190.290 2.651 20 30 AFEDMO CC#CC[N@H+]1CC[C@@H](C)C2(CCC2)C1 678469200 486936301 /nfs/dbraw/zinc/93/63/01/486936301.db2.gz MUNCJGLFVMFQOE-GFCCVEGCSA-N 1 1 191.318 2.522 20 30 AFEDMO CC#CC[N@H+]1CC[C@H](C)C2(CCC2)C1 678469201 486936539 /nfs/dbraw/zinc/93/65/39/486936539.db2.gz MUNCJGLFVMFQOE-LBPRGKRZSA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(CC)C[N@@H+](C)Cc1ccoc1C 678623596 486940915 /nfs/dbraw/zinc/94/09/15/486940915.db2.gz QOTHBYYCPFBYSU-UHFFFAOYSA-N 1 1 193.290 2.986 20 30 AFEDMO C=C(CC)C[N@@H+](CCOC)CC(C)C 678623089 486940966 /nfs/dbraw/zinc/94/09/66/486940966.db2.gz KNBWKDMVHRMEKO-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO C=C(CC)C[N@@H+](CCCC)CCOC 678624905 486941864 /nfs/dbraw/zinc/94/18/64/486941864.db2.gz SITSJXBGQKHHGC-UHFFFAOYSA-N 1 1 199.338 2.701 20 30 AFEDMO C=C(CC)C[N@@H+](C)CCCOC(C)C 678625103 486942090 /nfs/dbraw/zinc/94/20/90/486942090.db2.gz YTXIEMXGPNWYOZ-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 140979867 486947811 /nfs/dbraw/zinc/94/78/11/486947811.db2.gz SHYPYCJHRLFLJQ-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CC[N@H+](C)[C@H](C)c1ccccc1 147140298 486953724 /nfs/dbraw/zinc/95/37/24/486953724.db2.gz KOOHOUSTONASDU-LLVKDONJSA-N 1 1 175.275 2.865 20 30 AFEDMO C=C(C)C[N@H+](C)CCOCCC(C)C 679219095 486954060 /nfs/dbraw/zinc/95/40/60/486954060.db2.gz OCYZTNBASKGAQI-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO C=C(C)C[N@@H+](C)CCCOC(C)(C)C 679219719 486954451 /nfs/dbraw/zinc/95/44/51/486954451.db2.gz SVJFWCZFQCPIJD-UHFFFAOYSA-N 1 1 199.338 2.700 20 30 AFEDMO C=C(C)C[N@@H+](C)CCC(C)(C)C 679219173 486954465 /nfs/dbraw/zinc/95/44/65/486954465.db2.gz PRKMJJAZFFMVAI-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@@H+](CCC)CCc1ccco1 679329480 486960749 /nfs/dbraw/zinc/96/07/49/486960749.db2.gz SEAIWQDDXRVAHV-UHFFFAOYSA-N 1 1 193.290 2.720 20 30 AFEDMO C=CC[N@H+](CCc1ccco1)C(C)C 679329599 486960967 /nfs/dbraw/zinc/96/09/67/486960967.db2.gz VCGOBTCFADLMNZ-UHFFFAOYSA-N 1 1 193.290 2.719 20 30 AFEDMO C=C(C)C[N@@H+](C)C[C@H]1CC=CCC1 679358742 486961017 /nfs/dbraw/zinc/96/10/17/486961017.db2.gz KBNVPUXJETXNTH-LBPRGKRZSA-N 1 1 179.307 2.851 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1ccc(CC)o1 679361674 486961142 /nfs/dbraw/zinc/96/11/42/486961142.db2.gz UNYWUZNMEISTDM-UHFFFAOYSA-N 1 1 193.290 2.850 20 30 AFEDMO C=C(C)C[N@@H+](C)C[C@@H]1CC=CCC1 679358741 486961349 /nfs/dbraw/zinc/96/13/49/486961349.db2.gz KBNVPUXJETXNTH-GFCCVEGCSA-N 1 1 179.307 2.851 20 30 AFEDMO C=CC[N@@H+](CCCCC)CCCOC 679540945 486965022 /nfs/dbraw/zinc/96/50/22/486965022.db2.gz RHWTVHMVAMETEB-UHFFFAOYSA-N 1 1 199.338 2.701 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 679864646 486975307 /nfs/dbraw/zinc/97/53/07/486975307.db2.gz WISPQUDGTVDKAA-YNEHKIRRSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 679864645 486975442 /nfs/dbraw/zinc/97/54/42/486975442.db2.gz WISPQUDGTVDKAA-XQQFMLRXSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 679864643 486975500 /nfs/dbraw/zinc/97/55/00/486975500.db2.gz WISPQUDGTVDKAA-RWMBFGLXSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 679864642 486975876 /nfs/dbraw/zinc/97/58/76/486975876.db2.gz WISPQUDGTVDKAA-AVGNSLFASA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CC[N@@H+]1CCCC[C@@H]1CCC 680434316 486985168 /nfs/dbraw/zinc/98/51/68/486985168.db2.gz OMPDUUZMPRRAQO-LBPRGKRZSA-N 1 1 179.307 2.664 20 30 AFEDMO CC#CC[N@@H+]1CCCC[C@H]1CCC 680434315 486985387 /nfs/dbraw/zinc/98/53/87/486985387.db2.gz OMPDUUZMPRRAQO-GFCCVEGCSA-N 1 1 179.307 2.664 20 30 AFEDMO C=CC[N@@H+](C[C@H]1CC=CCC1)C1CC1 680481517 486987142 /nfs/dbraw/zinc/98/71/42/486987142.db2.gz KTOMTEQPQZBIFV-LBPRGKRZSA-N 1 1 191.318 2.993 20 30 AFEDMO C=CC[N@H+](Cc1occc1C)C1CC1 680481521 486987179 /nfs/dbraw/zinc/98/71/79/486987179.db2.gz LIJJTPKCLFIJDY-UHFFFAOYSA-N 1 1 191.274 2.738 20 30 AFEDMO C=CC[N@@H+](C[C@@H]1CC=CCC1)C1CC1 680481516 486987370 /nfs/dbraw/zinc/98/73/70/486987370.db2.gz KTOMTEQPQZBIFV-GFCCVEGCSA-N 1 1 191.318 2.993 20 30 AFEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CC 680848602 486993881 /nfs/dbraw/zinc/99/38/81/486993881.db2.gz MYXUZSTVRVHMCU-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CC 680848449 486994132 /nfs/dbraw/zinc/99/41/32/486994132.db2.gz MYXUZSTVRVHMCU-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1ccccc1F 680874886 486994869 /nfs/dbraw/zinc/99/48/69/486994869.db2.gz LMQCPNXKOSJOPJ-UHFFFAOYSA-N 1 1 193.265 2.834 20 30 AFEDMO CC#CCC[N@@H+](C)C1CCC(C)CC1 680881793 486995387 /nfs/dbraw/zinc/99/53/87/486995387.db2.gz ILEWDAXHRAWDNL-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1ccsc1 680873297 486995449 /nfs/dbraw/zinc/99/54/49/486995449.db2.gz MOBMUWVRMKHPSQ-UHFFFAOYSA-N 1 1 181.304 2.756 20 30 AFEDMO CC#CCC[N@@H+]1CCCC[C@@H]1CC 680882801 486995907 /nfs/dbraw/zinc/99/59/07/486995907.db2.gz YMBKWKJSPJFIEU-LBPRGKRZSA-N 1 1 179.307 2.664 20 30 AFEDMO CC#CCC[N@H+](C1CC1)[C@@H](C)C1CC1 680883042 486995979 /nfs/dbraw/zinc/99/59/79/486995979.db2.gz UDFWLFOYLWFATI-NSHDSACASA-N 1 1 191.318 2.663 20 30 AFEDMO CC#CCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 680882917 486995990 /nfs/dbraw/zinc/99/59/90/486995990.db2.gz OFFVIBFWKTTXQM-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@@H+](C)Cc1cccs1 680882796 486996051 /nfs/dbraw/zinc/99/60/51/486996051.db2.gz YLLMVNCEKLTVJC-UHFFFAOYSA-N 1 1 193.315 2.593 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@@H](CC)C1 680882451 486996065 /nfs/dbraw/zinc/99/60/65/486996065.db2.gz RUNRDEXOKGIYAW-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@@H+]1CCCC[C@H]1CC 680882800 486996178 /nfs/dbraw/zinc/99/61/78/486996178.db2.gz YMBKWKJSPJFIEU-GFCCVEGCSA-N 1 1 179.307 2.664 20 30 AFEDMO CC#CCC[N@H+](CC)C1CCCC1 680882647 486996190 /nfs/dbraw/zinc/99/61/90/486996190.db2.gz LOIQKXCEXNZVBX-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO CC#CCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 680882916 486996344 /nfs/dbraw/zinc/99/63/44/486996344.db2.gz OFFVIBFWKTTXQM-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@H](CC)C1 680882453 486996410 /nfs/dbraw/zinc/99/64/10/486996410.db2.gz RUNRDEXOKGIYAW-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 680882919 486996420 /nfs/dbraw/zinc/99/64/20/486996420.db2.gz OFFVIBFWKTTXQM-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@@H+](C)C1CCCCC1 680882607 486996633 /nfs/dbraw/zinc/99/66/33/486996633.db2.gz UPZUNNFNSPKEKW-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO CC#CCC[N@H+](CC)CCCC 680882693 486996645 /nfs/dbraw/zinc/99/66/45/486996645.db2.gz WQZAOGSTKLZFCP-UHFFFAOYSA-N 1 1 167.296 2.522 20 30 AFEDMO CC#CCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 680882915 486996772 /nfs/dbraw/zinc/99/67/72/486996772.db2.gz OFFVIBFWKTTXQM-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+](C1CC1)[C@H](C)C1CC1 680883041 486996789 /nfs/dbraw/zinc/99/67/89/486996789.db2.gz UDFWLFOYLWFATI-LLVKDONJSA-N 1 1 191.318 2.663 20 30 AFEDMO CC#CCC[N@@H+](CCC(C)C)C1CC1 680883112 486997196 /nfs/dbraw/zinc/99/71/96/486997196.db2.gz YUKHVEMBOMPOFP-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+](CC)Cc1ccoc1 680883313 486997255 /nfs/dbraw/zinc/99/72/55/486997255.db2.gz KCLZPQKYRLEUSR-UHFFFAOYSA-N 1 1 191.274 2.515 20 30 AFEDMO CC#CCC[N@H+]1CCCC(C)(C)C1 680883943 486997266 /nfs/dbraw/zinc/99/72/66/486997266.db2.gz INSUBHTXYYYTDN-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@H](CC)CC1 680884298 486997323 /nfs/dbraw/zinc/99/73/23/486997323.db2.gz VGTLRIZJEPRFCT-ZDUSSCGKSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CCC[N@@H+](C)C(C1CC1)C1CC1 680883467 486997336 /nfs/dbraw/zinc/99/73/36/486997336.db2.gz VNGYIVLPZKCLGA-UHFFFAOYSA-N 1 1 191.318 2.520 20 30 AFEDMO CC#CCC[N@@H+](C)CC1CCCC1 680883306 486997364 /nfs/dbraw/zinc/99/73/64/486997364.db2.gz JUFYFIFPDJAFRX-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@H+](C1CCCC1)C1CC1 680884038 486997392 /nfs/dbraw/zinc/99/73/92/486997392.db2.gz JURXVPLSISCQMN-UHFFFAOYSA-N 1 1 191.318 2.807 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@H]1C(C)(C)C 680883654 486997399 /nfs/dbraw/zinc/99/73/99/486997399.db2.gz KIMXWJDPHQDDSI-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+]1CCCC(C)(C)CC1 680884328 486997418 /nfs/dbraw/zinc/99/74/18/486997418.db2.gz VTYAFWJMYUJOAP-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@@H]1C1CCC1 680883646 486997493 /nfs/dbraw/zinc/99/74/93/486997493.db2.gz JMMMUPVPEPBHDJ-CYBMUJFWSA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CCC[N@H+]1CCCC[C@@H]1C(C)C 680884177 486997504 /nfs/dbraw/zinc/99/75/04/486997504.db2.gz PYVRWBDFLBIUFQ-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+]1C[C@@H](C)CCC[C@@H]1C 680884251 486997544 /nfs/dbraw/zinc/99/75/44/486997544.db2.gz RMQCFLLSRDBAIF-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+]1C[C@@H](C)CCC[C@H]1C 680884250 486997614 /nfs/dbraw/zinc/99/76/14/486997614.db2.gz RMQCFLLSRDBAIF-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+]1C[C@H](C)CCC[C@H]1C 680884248 486997680 /nfs/dbraw/zinc/99/76/80/486997680.db2.gz RMQCFLLSRDBAIF-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@@H](CC)CC1 680884297 486997691 /nfs/dbraw/zinc/99/76/91/486997691.db2.gz VGTLRIZJEPRFCT-CYBMUJFWSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@H]1C1CCC1 680883647 486997721 /nfs/dbraw/zinc/99/77/21/486997721.db2.gz JMMMUPVPEPBHDJ-ZDUSSCGKSA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CCC[N@H+]1CCCC[C@H]1C(C)C 680884178 486997883 /nfs/dbraw/zinc/99/78/83/486997883.db2.gz PYVRWBDFLBIUFQ-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@@H]1C(C)(C)C 680883653 486997923 /nfs/dbraw/zinc/99/79/23/486997923.db2.gz KIMXWJDPHQDDSI-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+]1C[C@H](C)CCC[C@@H]1C 680884249 486997952 /nfs/dbraw/zinc/99/79/52/486997952.db2.gz RMQCFLLSRDBAIF-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+]1[C@@H](C)CCC[C@H]1C 680884236 486997965 /nfs/dbraw/zinc/99/79/65/486997965.db2.gz QUVKLHLLJZMZEV-TXEJJXNPSA-N 1 1 179.307 2.663 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@H]2CCC[C@H]21 680884421 486998432 /nfs/dbraw/zinc/99/84/32/486998432.db2.gz XRAGCPIILRMXON-CHWSQXEVSA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CCC[N@@H+]1C[C@H](C)C[C@@H]1CC 680884577 486998481 /nfs/dbraw/zinc/99/84/81/486998481.db2.gz IWYMJGLDMRYCQO-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@@H+]1CC[C@@](C)(CC)C1 680884613 486998514 /nfs/dbraw/zinc/99/85/14/486998514.db2.gz LDDKFQFWAOHHHS-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@@H+]1CC[C@](C)(CC)C1 680884614 486998560 /nfs/dbraw/zinc/99/85/60/486998560.db2.gz LDDKFQFWAOHHHS-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@H+](C)C(C)(C)CC 680885289 486998659 /nfs/dbraw/zinc/99/86/59/486998659.db2.gz OFSNMZYEWNDOQN-UHFFFAOYSA-N 1 1 167.296 2.520 20 30 AFEDMO CC#CCC[N@@H+]1C[C@@H](C)C[C@H]1CC 680884578 486998733 /nfs/dbraw/zinc/99/87/33/486998733.db2.gz IWYMJGLDMRYCQO-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@H+]1CC[C@H](C)C[C@H](C)C1 680885472 486998753 /nfs/dbraw/zinc/99/87/53/486998753.db2.gz FFZYBDUVZRTXQD-STQMWFEESA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@@H](CCC)C1 680884587 486998779 /nfs/dbraw/zinc/99/87/79/486998779.db2.gz JNXXFIRVBLTZFL-CYBMUJFWSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CCC[N@H+]1CC[C@H](C)C[C@@H](C)C1 680885471 486998823 /nfs/dbraw/zinc/99/88/23/486998823.db2.gz FFZYBDUVZRTXQD-QWHCGFSZSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@](C)(CC)C1 680884801 486998865 /nfs/dbraw/zinc/99/88/65/486998865.db2.gz VYIAIJPRHFGHRU-ZDUSSCGKSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 680884424 486998885 /nfs/dbraw/zinc/99/88/85/486998885.db2.gz XRAGCPIILRMXON-STQMWFEESA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@@](C)(CC)C1 680884800 486999180 /nfs/dbraw/zinc/99/91/80/486999180.db2.gz VYIAIJPRHFGHRU-CYBMUJFWSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@@H]2CCC[C@H]21 680884423 486999194 /nfs/dbraw/zinc/99/91/94/486999194.db2.gz XRAGCPIILRMXON-QWHCGFSZSA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CCC[N@H+]1CC[C@@H](C)C[C@H](C)C1 680885470 486999240 /nfs/dbraw/zinc/99/92/40/486999240.db2.gz FFZYBDUVZRTXQD-OLZOCXBDSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@H]2CCC[C@@H]21 680884422 486999306 /nfs/dbraw/zinc/99/93/06/486999306.db2.gz XRAGCPIILRMXON-OLZOCXBDSA-N 1 1 191.318 2.664 20 30 AFEDMO CC#CCC[N@@H+]1C[C@@H](C)C[C@@H]1CC 680884579 486999331 /nfs/dbraw/zinc/99/93/31/486999331.db2.gz IWYMJGLDMRYCQO-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 680885469 486999347 /nfs/dbraw/zinc/99/93/47/486999347.db2.gz FFZYBDUVZRTXQD-CHWSQXEVSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@@H+]1CCC[C@H](CCC)C1 680884588 486999358 /nfs/dbraw/zinc/99/93/58/486999358.db2.gz JNXXFIRVBLTZFL-ZDUSSCGKSA-N 1 1 193.334 2.912 20 30 AFEDMO CC#CCC[N@@H+]1C[C@H](C)C[C@H]1CC 680884580 486999372 /nfs/dbraw/zinc/99/93/72/486999372.db2.gz IWYMJGLDMRYCQO-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@H+]1CC[C@@H](C(C)(C)C)C1 680891862 486999706 /nfs/dbraw/zinc/99/97/06/486999706.db2.gz QFFKGSCIVIXDGL-GFCCVEGCSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@H+]1CC[C@@H](C)C(C)(C)C1 680893028 487000111 /nfs/dbraw/zinc/00/01/11/487000111.db2.gz ZCOYWDPQGKESKK-GFCCVEGCSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@H+]1CC[C@H](C(C)(C)C)C1 680891863 487000217 /nfs/dbraw/zinc/00/02/17/487000217.db2.gz QFFKGSCIVIXDGL-LBPRGKRZSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@H+]1CC[C@H](C)C(C)(C)C1 680893029 487000412 /nfs/dbraw/zinc/00/04/12/487000412.db2.gz ZCOYWDPQGKESKK-LBPRGKRZSA-N 1 1 193.334 2.768 20 30 AFEDMO C=C(C)CN(CC)c1cccc(C)[nH+]1 681208061 487013472 /nfs/dbraw/zinc/01/34/72/487013472.db2.gz RFSADVGGXIKKHZ-UHFFFAOYSA-N 1 1 190.290 2.792 20 30 AFEDMO C=C(C)CC[N@H+](CCOC)CC(C)C 681399435 487020959 /nfs/dbraw/zinc/02/09/59/487020959.db2.gz VMDXCUSPFACUSE-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCCC[C@@H](C)C1 681465489 487022790 /nfs/dbraw/zinc/02/27/90/487022790.db2.gz YCCQQJPSOHJANE-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCCC[C@@H](C)C1 681465487 487022914 /nfs/dbraw/zinc/02/29/14/487022914.db2.gz YCCQQJPSOHJANE-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCCC[C@H](C)C1 681465490 487022928 /nfs/dbraw/zinc/02/29/28/487022928.db2.gz YCCQQJPSOHJANE-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCCC[C@H](C)C1 681465492 487023255 /nfs/dbraw/zinc/02/32/55/487023255.db2.gz YCCQQJPSOHJANE-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H]1CC 681470566 487023866 /nfs/dbraw/zinc/02/38/66/487023866.db2.gz XMCKPFWVVXPOTJ-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO CC#CCC[N@@H+]1CC[C@@H](C)[C@@H]1CC 681470134 487023891 /nfs/dbraw/zinc/02/38/91/487023891.db2.gz POQXJMRBFNMGDC-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H]1CC 681470567 487024271 /nfs/dbraw/zinc/02/42/71/487024271.db2.gz XMCKPFWVVXPOTJ-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H]1CC 681470565 487024403 /nfs/dbraw/zinc/02/44/03/487024403.db2.gz XMCKPFWVVXPOTJ-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO CC#CCC[N@@H+]1CC[C@@H](C)[C@H]1CC 681470142 487024444 /nfs/dbraw/zinc/02/44/44/487024444.db2.gz POQXJMRBFNMGDC-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@@H+]1CC[C@H](C)[C@@H]1CC 681470140 487024513 /nfs/dbraw/zinc/02/45/13/487024513.db2.gz POQXJMRBFNMGDC-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H]1CC 681470568 487024542 /nfs/dbraw/zinc/02/45/42/487024542.db2.gz XMCKPFWVVXPOTJ-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO CC#CCC[N@@H+]1CC[C@H](C)[C@H]1CC 681470139 487024607 /nfs/dbraw/zinc/02/46/07/487024607.db2.gz POQXJMRBFNMGDC-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(F)cc1C 681696109 487032438 /nfs/dbraw/zinc/03/24/38/487032438.db2.gz QGWFYJIDTOHZDK-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@H+](C)Cc1cc(C)cc(C)c1 681696719 487032541 /nfs/dbraw/zinc/03/25/41/487032541.db2.gz MSTNPHHJYYHGSW-UHFFFAOYSA-N 1 1 189.302 2.921 20 30 AFEDMO C=CC[N@@H+](C)Cc1cc(F)ccc1F 681696670 487032839 /nfs/dbraw/zinc/03/28/39/487032839.db2.gz KJQYTHBCGWRTAV-UHFFFAOYSA-N 1 1 197.228 2.583 20 30 AFEDMO C=CC[N@H+](C)Cc1cc(F)ccc1F 681696670 487032845 /nfs/dbraw/zinc/03/28/45/487032845.db2.gz KJQYTHBCGWRTAV-UHFFFAOYSA-N 1 1 197.228 2.583 20 30 AFEDMO C=CC[N@H+](C)Cc1cccc(C)c1C 681758218 487038111 /nfs/dbraw/zinc/03/81/11/487038111.db2.gz NDHDQRIRGWQRHT-UHFFFAOYSA-N 1 1 189.302 2.921 20 30 AFEDMO C=CC[N@@H+](C)Cc1cc(C)ccc1F 681758202 487038124 /nfs/dbraw/zinc/03/81/24/487038124.db2.gz KDESGHSGNDZHGR-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@H+](C)Cc1cc(C)ccc1F 681758202 487038129 /nfs/dbraw/zinc/03/81/29/487038129.db2.gz KDESGHSGNDZHGR-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@H+](C)Cc1cc(F)ccc1C 681758306 487038145 /nfs/dbraw/zinc/03/81/45/487038145.db2.gz OCTFPQKCLOYUKT-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(C)c(F)c1 681758314 487038623 /nfs/dbraw/zinc/03/86/23/487038623.db2.gz OULGRAZWLYOJTP-UHFFFAOYSA-N 1 1 193.265 2.752 20 30 AFEDMO C=CC[N@H+](C)Cc1cc(F)cc(F)c1 681758197 487038911 /nfs/dbraw/zinc/03/89/11/487038911.db2.gz IWJYHKBQZWOOGS-UHFFFAOYSA-N 1 1 197.228 2.583 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@@H](C(C)C)C1 682043067 487041200 /nfs/dbraw/zinc/04/12/00/487041200.db2.gz YNGHOLOSQLHSDG-CYBMUJFWSA-N 1 1 193.334 2.768 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@H](C(C)C)C1 682043068 487042274 /nfs/dbraw/zinc/04/22/74/487042274.db2.gz YNGHOLOSQLHSDG-ZDUSSCGKSA-N 1 1 193.334 2.768 20 30 AFEDMO C=CC[N@H+](C)Cc1ccccc1CC 682087116 487045097 /nfs/dbraw/zinc/04/50/97/487045097.db2.gz KFPFRBQFZBCXMS-UHFFFAOYSA-N 1 1 189.302 2.867 20 30 AFEDMO C=CCC[N@H+](C)CCOCCC(C)C 682435262 487058534 /nfs/dbraw/zinc/05/85/34/487058534.db2.gz PJDUOFRGZRDHCX-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCCC(C)(C)C1 682436307 487059502 /nfs/dbraw/zinc/05/95/02/487059502.db2.gz QSUOXZKYLZIUDM-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCCC(C)(C)C1 682436306 487059532 /nfs/dbraw/zinc/05/95/32/487059532.db2.gz QSUOXZKYLZIUDM-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO C=CCC[N@H+](C)Cc1ccc(CC)o1 682436728 487059809 /nfs/dbraw/zinc/05/98/09/487059809.db2.gz VZPLTKNBZNIUBF-UHFFFAOYSA-N 1 1 193.290 2.850 20 30 AFEDMO C=CCC[N@H+](C)CC(CC)CC 682436612 487060196 /nfs/dbraw/zinc/06/01/96/487060196.db2.gz QGPZRURGQBZSMC-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@H+](C)Cc1cccc(CC)c1 682535612 487063261 /nfs/dbraw/zinc/06/32/61/487063261.db2.gz XYWAUTYKCZONAT-UHFFFAOYSA-N 1 1 189.302 2.867 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1ccn(CC)c1 682778906 487071412 /nfs/dbraw/zinc/07/14/12/487071412.db2.gz SMLXZJWBFOUNLP-UHFFFAOYSA-N 1 1 192.306 2.516 20 30 AFEDMO C=CC[N@@H+](CCOC)CCC(C)(C)C 683000743 487076678 /nfs/dbraw/zinc/07/66/78/487076678.db2.gz IHSQMLTWGCNHJL-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO C=CC[N@H+]1CCc2cc(C)ccc2C1 683027793 487077470 /nfs/dbraw/zinc/07/74/70/487077470.db2.gz LENJUKDTKFJPSU-UHFFFAOYSA-N 1 1 187.286 2.539 20 30 AFEDMO C=CC[N@H+](CCCC(C)C)CCOC 683001362 487077714 /nfs/dbraw/zinc/07/77/14/487077714.db2.gz SYOIMPBFCFTMME-UHFFFAOYSA-N 1 1 199.338 2.557 20 30 AFEDMO CC#CCC[N@@H+](CC1CCC1)C(C)C 683528223 487093173 /nfs/dbraw/zinc/09/31/73/487093173.db2.gz ZHHDIHOCFJSJAS-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C=CCCCCC[N@H+](CC)CCOC 683780106 487096438 /nfs/dbraw/zinc/09/64/38/487096438.db2.gz IHECMUGNCMCLTN-UHFFFAOYSA-N 1 1 199.338 2.701 20 30 AFEDMO C=CCN(c1cccc(C)[nH+]1)C1CC1 683753239 487096689 /nfs/dbraw/zinc/09/66/89/487096689.db2.gz JCMRQEBPIQDQCM-UHFFFAOYSA-N 1 1 188.274 2.545 20 30 AFEDMO C=CCN(c1cc(C)cc[nH+]1)C1CC1 683754015 487096900 /nfs/dbraw/zinc/09/69/00/487096900.db2.gz YJYQWJKIXAOCGL-UHFFFAOYSA-N 1 1 188.274 2.545 20 30 AFEDMO CCC#C[C@H](C)[N@@H+](CC)CC1CCC1 684624618 487127276 /nfs/dbraw/zinc/12/72/76/487127276.db2.gz VTERMSAWOHZWMS-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@H+](CC)CC1CCC1 684624806 487127536 /nfs/dbraw/zinc/12/75/36/487127536.db2.gz WXLSNRKKRSZYSW-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@@H+](C)[C@H]1CCC(C)(C)C1 684625324 487128005 /nfs/dbraw/zinc/12/80/05/487128005.db2.gz PBFPZXYWWKKYBJ-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO CC#CCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 684625323 487127916 /nfs/dbraw/zinc/12/79/16/487127916.db2.gz PBFPZXYWWKKYBJ-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@@H+](CC)CC1CCC1 684624617 487128016 /nfs/dbraw/zinc/12/80/16/487128016.db2.gz VTERMSAWOHZWMS-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCC(C)=C(C)C1 684629578 487128419 /nfs/dbraw/zinc/12/84/19/487128419.db2.gz WFGRRLUCIFTTQT-CYBMUJFWSA-N 1 1 191.318 2.830 20 30 AFEDMO CC#CC[N@H+](CC1CCC1)CC1CC1 684629270 487128498 /nfs/dbraw/zinc/12/84/98/487128498.db2.gz VZTVMDDWTOPVJN-UHFFFAOYSA-N 1 1 191.318 2.522 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCC(C)=C(C)C1 684629579 487128761 /nfs/dbraw/zinc/12/87/61/487128761.db2.gz WFGRRLUCIFTTQT-ZDUSSCGKSA-N 1 1 191.318 2.830 20 30 AFEDMO C=C(C)C[N@@H+](CC)CCCC(=O)CC 685417290 487143426 /nfs/dbraw/zinc/14/34/26/487143426.db2.gz SJJWSCKPZVOTMF-UHFFFAOYSA-N 1 1 197.322 2.644 20 30 AFEDMO C=CCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 306339683 487153897 /nfs/dbraw/zinc/15/38/97/487153897.db2.gz VVZIIQYOUQHGJL-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCC[C@@H]21 306448607 487156577 /nfs/dbraw/zinc/15/65/77/487156577.db2.gz XDOLDYQSZYTGRC-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCC[N@H+]1C[C@H]2CCCC[C@H]2C1 307700933 487188354 /nfs/dbraw/zinc/18/83/54/487188354.db2.gz QZNDUBAYCFFDGA-TXEJJXNPSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CCCC[N@H+]1C[C@@H]2CCCC[C@@H]21 308336224 487198798 /nfs/dbraw/zinc/19/87/98/487198798.db2.gz NZWAHDWLADJVNZ-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(CC)C[NH2+][C@@H](C)c1cc(C)on1 379604243 487246327 /nfs/dbraw/zinc/24/63/27/487246327.db2.gz OXVAEHPMVAAPOG-JTQLQIEISA-N 1 1 194.278 2.600 20 30 AFEDMO C=C(CC)C[NH2+][C@H](C)c1cc(C)on1 379604245 487246416 /nfs/dbraw/zinc/24/64/16/487246416.db2.gz OXVAEHPMVAAPOG-SNVBAGLBSA-N 1 1 194.278 2.600 20 30 AFEDMO CC[N@@H+](CC(C)C)[C@@H]1CC[C@H](C#N)C1 590153416 487298341 /nfs/dbraw/zinc/29/83/41/487298341.db2.gz IOEDHHOQROMDRB-NWDGAFQWSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[N@@H+](CC(C)C)[C@H]1CC[C@H](C#N)C1 590153417 487298380 /nfs/dbraw/zinc/29/83/80/487298380.db2.gz IOEDHHOQROMDRB-RYUDHWBXSA-N 1 1 194.322 2.657 20 30 AFEDMO CC[N@@H+](CC(C)C)[C@H]1CC[C@@H](C#N)C1 590153415 487298360 /nfs/dbraw/zinc/29/83/60/487298360.db2.gz IOEDHHOQROMDRB-NEPJUHHUSA-N 1 1 194.322 2.657 20 30 AFEDMO C=C(C)C[N@H+](CC)Cc1ccoc1C 666292527 487326193 /nfs/dbraw/zinc/32/61/93/487326193.db2.gz KMHHMPJHTGYYAB-UHFFFAOYSA-N 1 1 193.290 2.986 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2C)C1 668494407 487363012 /nfs/dbraw/zinc/36/30/12/487363012.db2.gz ZJBHAVMUUNVLBM-JHJVBQTASA-N 1 1 193.334 2.931 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2C)C1 668494408 487363070 /nfs/dbraw/zinc/36/30/70/487363070.db2.gz ZJBHAVMUUNVLBM-UPJWGTAASA-N 1 1 193.334 2.931 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2C)C1 668494409 487363349 /nfs/dbraw/zinc/36/33/49/487363349.db2.gz ZJBHAVMUUNVLBM-XQQFMLRXSA-N 1 1 193.334 2.931 20 30 AFEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2C)C1 668494410 487363386 /nfs/dbraw/zinc/36/33/86/487363386.db2.gz ZJBHAVMUUNVLBM-YNEHKIRRSA-N 1 1 193.334 2.931 20 30 AFEDMO C#CCC[N@H+](C)[C@H]1CCc2ccccc21 219603958 582460229 /nfs/dbraw/zinc/46/02/29/582460229.db2.gz TXZXSXPSEZXSIS-AWEZNQCLSA-N 1 1 199.297 2.629 20 30 AFEDMO C#CCC[N@H+](C)[C@@H]1CCc2ccccc21 219603870 582459772 /nfs/dbraw/zinc/45/97/72/582459772.db2.gz TXZXSXPSEZXSIS-CQSZACIVSA-N 1 1 199.297 2.629 20 30 AFEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](C)C1 306579815 582487386 /nfs/dbraw/zinc/48/73/86/582487386.db2.gz XVLLYAFUYFYUOA-WDEREUQCSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 306579812 582487545 /nfs/dbraw/zinc/48/75/45/582487545.db2.gz XVLLYAFUYFYUOA-GHMZBOCLSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 306579813 582487626 /nfs/dbraw/zinc/48/76/26/582487626.db2.gz XVLLYAFUYFYUOA-MNOVXSKESA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 306579814 582487641 /nfs/dbraw/zinc/48/76/41/582487641.db2.gz XVLLYAFUYFYUOA-QWRGUYRKSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CCCC[N@H+]1CCCC2(CC2)C1 308339888 582488528 /nfs/dbraw/zinc/48/85/28/582488528.db2.gz QHKIHXBZLPGKOG-UHFFFAOYSA-N 1 1 179.307 2.829 20 30 AFEDMO C=C(C)CC[N@H+](C)[C@H](C)C(C)C 393323666 582492220 /nfs/dbraw/zinc/49/22/20/582492220.db2.gz IOHWLQSADPKMAX-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(C)CC[N@H+](C)[C@@H](C)C(C)C 393323667 582492390 /nfs/dbraw/zinc/49/23/90/582492390.db2.gz IOHWLQSADPKMAX-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(CC)C[N@@H+](C)CCC(C)C 393333603 582492535 /nfs/dbraw/zinc/49/25/35/582492535.db2.gz VCCDZGRHRSLEPW-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=C(CC)C[N@@H+](C(C)C)C1CC1 393322773 582492731 /nfs/dbraw/zinc/49/27/31/582492731.db2.gz QCGQZMMZRJJYAA-UHFFFAOYSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 393711621 582494047 /nfs/dbraw/zinc/49/40/47/582494047.db2.gz MYBICNBXZCVWDX-LLVKDONJSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCC[N@@H+]1CC[C@H](C(C)(C)C)C1 393711622 582494441 /nfs/dbraw/zinc/49/44/41/582494441.db2.gz MYBICNBXZCVWDX-NSHDSACASA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](CCCCC#N)C(C)C 726596868 582511301 /nfs/dbraw/zinc/51/13/01/582511301.db2.gz XOOXWAIDNOUUQI-UHFFFAOYSA-N 1 1 180.295 2.577 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(SC)o1 894495768 582515836 /nfs/dbraw/zinc/51/58/36/582515836.db2.gz QKXTUPZPAOPGBW-UHFFFAOYSA-N 1 1 197.303 2.619 20 30 AFEDMO C#CC[N@@H+](CC1CC1)C1CCCCC1 727832282 582532368 /nfs/dbraw/zinc/53/23/68/582532368.db2.gz QUYWWJAUKQLJLP-UHFFFAOYSA-N 1 1 191.318 2.664 20 30 AFEDMO C=CCCCC[N@@H+]1CCC[C@H](F)C1 902992669 582620002 /nfs/dbraw/zinc/62/00/02/582620002.db2.gz MULSMXRYBVGXTJ-NSHDSACASA-N 1 1 185.286 2.777 20 30 AFEDMO C=CCCCC[N@@H+]1CCC[C@@H](F)C1 902992668 582620049 /nfs/dbraw/zinc/62/00/49/582620049.db2.gz MULSMXRYBVGXTJ-LLVKDONJSA-N 1 1 185.286 2.777 20 30 AFEDMO C=CC[N@@H+](CCF)Cc1ccccc1 746499962 582626710 /nfs/dbraw/zinc/62/67/10/582626710.db2.gz QUYCEHSIAMNTGL-UHFFFAOYSA-N 1 1 193.265 2.644 20 30 AFEDMO C=CC[N@H+](CCF)Cc1ccccc1 746499962 582626714 /nfs/dbraw/zinc/62/67/14/582626714.db2.gz QUYCEHSIAMNTGL-UHFFFAOYSA-N 1 1 193.265 2.644 20 30 AFEDMO C=C(C)c1cc(C)c2[nH+]c(C)cn2c1 906168091 582654858 /nfs/dbraw/zinc/65/48/58/582654858.db2.gz FNPJSCUTMMPRJC-UHFFFAOYSA-N 1 1 186.258 2.984 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@](C)(CC)C1 766902615 582677229 /nfs/dbraw/zinc/67/72/29/582677229.db2.gz LPSMUNURGKNFLB-ZDUSSCGKSA-N 1 1 193.334 2.912 20 30 AFEDMO C#CCCC[N@@H+]1CCC[C@@](C)(CC)C1 766902602 582677360 /nfs/dbraw/zinc/67/73/60/582677360.db2.gz LPSMUNURGKNFLB-CYBMUJFWSA-N 1 1 193.334 2.912 20 30 AFEDMO C=C(C)CCn1cc[nH+]c1CCC 168004145 582706621 /nfs/dbraw/zinc/70/66/21/582706621.db2.gz WZKBYMRFRONVCT-UHFFFAOYSA-N 1 1 178.279 2.802 20 30 AFEDMO C=C(C)C[N@H+](C)CCCCC 206433500 582710016 /nfs/dbraw/zinc/71/00/16/582710016.db2.gz WENLCHVOLDLRPY-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=CC[N@H+](C)C/C=C\c1ccccc1 209785248 582715135 /nfs/dbraw/zinc/71/51/35/582715135.db2.gz SPKLKZCZVOQSIL-YFHOEESVSA-N 1 1 187.286 2.818 20 30 AFEDMO C#CC(C)(C)[N@H+](C)CCCC(C)C 838973450 582723962 /nfs/dbraw/zinc/72/39/62/582723962.db2.gz ZRUNATMSRJNXBW-UHFFFAOYSA-N 1 1 181.323 2.766 20 30 AFEDMO C=C(Cl)C[N@H+](C)C1CC(C)(C)C1 839191134 582727863 /nfs/dbraw/zinc/72/78/63/582727863.db2.gz WMKIPLYNDAJJDQ-UHFFFAOYSA-N 1 1 187.714 2.859 20 30 AFEDMO C#CC[N@@H+]1CCCCC[C@H]1CC(C)C 740887630 582730000 /nfs/dbraw/zinc/73/00/00/582730000.db2.gz YDARQTITYKGLFK-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO CCCCCCC[N@H+]1CCOC[C@@H]1C 740874909 582730176 /nfs/dbraw/zinc/73/01/76/582730176.db2.gz QNMQPSCNEIWKJI-LBPRGKRZSA-N 1 1 199.338 2.678 20 30 AFEDMO C=CCCO[NH+]=C(N)C1CCCCC1 740872444 582730305 /nfs/dbraw/zinc/73/03/05/582730305.db2.gz AKVPZEOEGUFYEY-UHFFFAOYSA-N 1 1 196.294 2.641 20 30 AFEDMO CCCCCCC[N@H+]1CCOC[C@H]1C 740874908 582730352 /nfs/dbraw/zinc/73/03/52/582730352.db2.gz QNMQPSCNEIWKJI-GFCCVEGCSA-N 1 1 199.338 2.678 20 30 AFEDMO CCCCCCC[N@H+]1CCO[C@@H](C)C1 740873685 582730437 /nfs/dbraw/zinc/73/04/37/582730437.db2.gz VJIVUJCDEAKLDK-LBPRGKRZSA-N 1 1 199.338 2.678 20 30 AFEDMO CCCCCCC[N@H+]1CCCOCC1 740876232 582730450 /nfs/dbraw/zinc/73/04/50/582730450.db2.gz SCXPCSYDTIYHKJ-UHFFFAOYSA-N 1 1 199.338 2.679 20 30 AFEDMO CCCCCCC[N@@H+](C)[C@@H]1CCOC1 740878071 582730476 /nfs/dbraw/zinc/73/04/76/582730476.db2.gz UFNDVJKASJAHHV-GFCCVEGCSA-N 1 1 199.338 2.678 20 30 AFEDMO C#CC[N@@H+]1CCCCC[C@@H]1CC(C)C 740887629 582730513 /nfs/dbraw/zinc/73/05/13/582730513.db2.gz YDARQTITYKGLFK-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO CCCCCCC[N@@H+](C)[C@H]1CCOC1 740878073 582730588 /nfs/dbraw/zinc/73/05/88/582730588.db2.gz UFNDVJKASJAHHV-LBPRGKRZSA-N 1 1 199.338 2.678 20 30 AFEDMO C=CCCCO[NH+]=C(N)CCC(C)C 740872568 582730600 /nfs/dbraw/zinc/73/06/00/582730600.db2.gz UQFCUFQEFNCFCG-UHFFFAOYSA-N 1 1 198.310 2.887 20 30 AFEDMO CCCCCCC[N@H+]1CCO[C@H](C)C1 740873684 582730823 /nfs/dbraw/zinc/73/08/23/582730823.db2.gz VJIVUJCDEAKLDK-GFCCVEGCSA-N 1 1 199.338 2.678 20 30 AFEDMO C=CCCCO[NH+]=C(N)C1CCCC1 740872571 582730919 /nfs/dbraw/zinc/73/09/19/582730919.db2.gz IKNZGCRVOFFQJJ-UHFFFAOYSA-N 1 1 196.294 2.641 20 30 AFEDMO CC#CC[N@@H+]1Cc2ccccc2[C@@H](C)C1 741774404 582732901 /nfs/dbraw/zinc/73/29/01/582732901.db2.gz UGLFERZEEVXQEW-LBPRGKRZSA-N 1 1 199.297 2.629 20 30 AFEDMO CC#CC[N@@H+]1Cc2ccccc2[C@H](C)C1 741774217 582733185 /nfs/dbraw/zinc/73/31/85/582733185.db2.gz UGLFERZEEVXQEW-GFCCVEGCSA-N 1 1 199.297 2.629 20 30 AFEDMO C=CC[N@H+](CCSCC)C(C)C 741777761 582733376 /nfs/dbraw/zinc/73/33/76/582733376.db2.gz RHNLQWRLSVOOSI-UHFFFAOYSA-N 1 1 187.352 2.636 20 30 AFEDMO CC#CC[N@@H+](C)Cc1sccc1C 741753325 582733411 /nfs/dbraw/zinc/73/34/11/582733411.db2.gz TVOBTFVVTRJNJR-UHFFFAOYSA-N 1 1 193.315 2.512 20 30 AFEDMO C#CC[N@@H+](CC#CC)CCCCCC 743852288 582738061 /nfs/dbraw/zinc/73/80/61/582738061.db2.gz KKJCSWJPUAFDBZ-UHFFFAOYSA-N 1 1 191.318 2.525 20 30 AFEDMO C=CC[N@H+](CCCSC)C(C)C 743841687 582738141 /nfs/dbraw/zinc/73/81/41/582738141.db2.gz RYDFBACUQZGQRJ-UHFFFAOYSA-N 1 1 187.352 2.636 20 30 AFEDMO C=CC[N@H+](CCC1CC1)C(C)C 743841801 582738331 /nfs/dbraw/zinc/73/83/31/582738331.db2.gz XMJVGAKRQNTKPH-UHFFFAOYSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CC[N@H+](CCOC(C)(C)C)C(C)C 744195618 582740047 /nfs/dbraw/zinc/74/00/47/582740047.db2.gz LYGBQEPSTNMNDK-UHFFFAOYSA-N 1 1 199.338 2.698 20 30 AFEDMO C#CC[N@H+](CC(=C)C)C1CCCCC1 744213835 582740424 /nfs/dbraw/zinc/74/04/24/582740424.db2.gz MNGBORNDRCAHNP-UHFFFAOYSA-N 1 1 191.318 2.830 20 30 AFEDMO C#CC[N@H+](Cc1ccccc1C)C1CC1 746114762 582745212 /nfs/dbraw/zinc/74/52/12/582745212.db2.gz SBWGOVWXVTZNSI-UHFFFAOYSA-N 1 1 199.297 2.593 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@H](C)CC1(C)C 746676437 582746527 /nfs/dbraw/zinc/74/65/27/582746527.db2.gz VXQOFNFMPAWGKO-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1C[C@@H](C)CC1(C)C 746676436 582747008 /nfs/dbraw/zinc/74/70/08/582747008.db2.gz VXQOFNFMPAWGKO-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO C#CC[N@@H+](CC)C/C=C/c1ccccc1 749160460 582754172 /nfs/dbraw/zinc/75/41/72/582754172.db2.gz XWUZTMBCPDMZDU-DHZHZOJOSA-N 1 1 199.297 2.655 20 30 AFEDMO C#CC[N@@H+](CC)C/C=C\c1ccccc1 749160462 582754251 /nfs/dbraw/zinc/75/42/51/582754251.db2.gz XWUZTMBCPDMZDU-FLIBITNWSA-N 1 1 199.297 2.655 20 30 AFEDMO CCCCCCC[N@H+]1CC[C@@H](OC)C1 752089594 582767769 /nfs/dbraw/zinc/76/77/69/582767769.db2.gz WMLPZEAAUWEONE-GFCCVEGCSA-N 1 1 199.338 2.678 20 30 AFEDMO CCCCCCC[N@H+]1CC[C@H](OC)C1 752089596 582767811 /nfs/dbraw/zinc/76/78/11/582767811.db2.gz WMLPZEAAUWEONE-LBPRGKRZSA-N 1 1 199.338 2.678 20 30 AFEDMO C=CCO[NH+]=C(N)C1CCCCCC1 754779391 582782781 /nfs/dbraw/zinc/78/27/81/582782781.db2.gz WOVVDPBAKJYDOQ-UHFFFAOYSA-N 1 1 196.294 2.641 20 30 AFEDMO C#CC[N@@H+](CC)CCCC1CCCC1 755948841 582790833 /nfs/dbraw/zinc/79/08/33/582790833.db2.gz MSHQPWWDWIEHAY-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C=CC[N@H+](CC(C)(C)COC)C(C)C 756076851 582791737 /nfs/dbraw/zinc/79/17/37/582791737.db2.gz ORGKMWXIGIHKNR-UHFFFAOYSA-N 1 1 199.338 2.555 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC(C)(C)C[C@H]1C 839660853 582794952 /nfs/dbraw/zinc/79/49/52/582794952.db2.gz QEEALDDTIVDWLP-SECBINFHSA-N 1 1 187.714 2.859 20 30 AFEDMO C#CCCC[N@@H+]1CC(C)(C)C[C@@H]1C 839658655 582795509 /nfs/dbraw/zinc/79/55/09/582795509.db2.gz PWDXAFYFHXEJGX-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@@H+]1CC(C)(C)C[C@@H]1C 839660854 582795769 /nfs/dbraw/zinc/79/57/69/582795769.db2.gz QEEALDDTIVDWLP-VIFPVBQESA-N 1 1 187.714 2.859 20 30 AFEDMO C#CCCC[N@@H+]1CC(C)(C)C[C@H]1C 839658653 582795900 /nfs/dbraw/zinc/79/59/00/582795900.db2.gz PWDXAFYFHXEJGX-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(Cl)C[N@H+]1CC[C@@H](C2CCC2)C1 839676633 582796592 /nfs/dbraw/zinc/79/65/92/582796592.db2.gz MUVKCEMMBCWDMY-LLVKDONJSA-N 1 1 199.725 2.861 20 30 AFEDMO C=C(Cl)C[N@H+]1CC[C@H](C2CCC2)C1 839676635 582797052 /nfs/dbraw/zinc/79/70/52/582797052.db2.gz MUVKCEMMBCWDMY-NSHDSACASA-N 1 1 199.725 2.861 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@@H](C)C(C)(C)C1 759924043 582806044 /nfs/dbraw/zinc/80/60/44/582806044.db2.gz UEUKIDIFHSNELL-GFCCVEGCSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCCC[N@@H+]1CC[C@H](C)C(C)(C)C1 759924045 582806068 /nfs/dbraw/zinc/80/60/68/582806068.db2.gz UEUKIDIFHSNELL-LBPRGKRZSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H]1CCC(C)C 760848343 582807911 /nfs/dbraw/zinc/80/79/11/582807911.db2.gz WYMLPZHLEGDRLK-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H](C)CCC 760852423 582808025 /nfs/dbraw/zinc/80/80/25/582808025.db2.gz GNHHLZWVDXOKGZ-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H](C)CCC 760852422 582808027 /nfs/dbraw/zinc/80/80/27/582808027.db2.gz GNHHLZWVDXOKGZ-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H](C)CCC 760852420 582808037 /nfs/dbraw/zinc/80/80/37/582808037.db2.gz GNHHLZWVDXOKGZ-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@H]1CC(C)C 760861941 582808049 /nfs/dbraw/zinc/80/80/49/582808049.db2.gz ZAMBZXGNCIUECL-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H](C)CCC 760852421 582808110 /nfs/dbraw/zinc/80/81/10/582808110.db2.gz GNHHLZWVDXOKGZ-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H](C)[C@H]1CCC 760863799 582808263 /nfs/dbraw/zinc/80/82/63/582808263.db2.gz VYMNWGBGKKVGQH-QWHCGFSZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H]1CCC(C)C 760848344 582808325 /nfs/dbraw/zinc/80/83/25/582808325.db2.gz WYMLPZHLEGDRLK-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCC 760863798 582808403 /nfs/dbraw/zinc/80/84/03/582808403.db2.gz VYMNWGBGKKVGQH-OLZOCXBDSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC 760863797 582808407 /nfs/dbraw/zinc/80/84/07/582808407.db2.gz VYMNWGBGKKVGQH-CHWSQXEVSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@H+]1CCCC12CCCCC2 760886085 582808431 /nfs/dbraw/zinc/80/84/31/582808431.db2.gz NRLYQWIMFBCCGK-UHFFFAOYSA-N 1 1 191.318 2.808 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCC 760863800 582808463 /nfs/dbraw/zinc/80/84/63/582808463.db2.gz VYMNWGBGKKVGQH-STQMWFEESA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CC(C)C 760861940 582808472 /nfs/dbraw/zinc/80/84/72/582808472.db2.gz ZAMBZXGNCIUECL-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO CC(C)CC1CC[NH+](CCC#N)CC1 760921087 582808498 /nfs/dbraw/zinc/80/84/98/582808498.db2.gz OBFSBHMFAVJCBK-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C#CC[N@H+](CCC(C)(C)CC)C1CC1 763950071 582821610 /nfs/dbraw/zinc/82/16/10/582821610.db2.gz IQTDTUASPYMCIZ-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@H+](C(C)C)C1CCCC1 764235602 582822096 /nfs/dbraw/zinc/82/20/96/582822096.db2.gz UOTTUDRHXYVGDK-UHFFFAOYSA-N 1 1 179.307 2.663 20 30 AFEDMO C#CCC[N@H+]1CCC[C@H]1c1ccccc1 764232447 582822197 /nfs/dbraw/zinc/82/21/97/582822197.db2.gz OYXGPAUCBCAPKF-AWEZNQCLSA-N 1 1 199.297 2.847 20 30 AFEDMO C#CCC[N@H+]1CCC[C@@H]1c1ccccc1 764232452 582822710 /nfs/dbraw/zinc/82/27/10/582822710.db2.gz OYXGPAUCBCAPKF-CQSZACIVSA-N 1 1 199.297 2.847 20 30 AFEDMO CC#CCC[N@H+]1C[C@@H](C)CC1(C)C 764960268 582824783 /nfs/dbraw/zinc/82/47/83/582824783.db2.gz LZFUPFXJIOOUON-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@H+]1CCC2(CCCC2)C1 764960102 582824789 /nfs/dbraw/zinc/82/47/89/582824789.db2.gz JDLBZXWNTBUUTG-UHFFFAOYSA-N 1 1 191.318 2.666 20 30 AFEDMO CC#CCC[N@H+]1C[C@H](C)CC1(C)C 764960265 582824999 /nfs/dbraw/zinc/82/49/99/582824999.db2.gz LZFUPFXJIOOUON-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@H+](CCCF)C1CCCCC1 766027567 582827516 /nfs/dbraw/zinc/82/75/16/582827516.db2.gz OMARVJOQCZMYGX-UHFFFAOYSA-N 1 1 197.297 2.614 20 30 AFEDMO C#CCCC[N@H+](C)[C@H]1CCC(C)(C)C1 796532619 582924963 /nfs/dbraw/zinc/92/49/63/582924963.db2.gz PQUDLIQHFKEXRR-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@H+](CC)CC1CCCCCC1 769111573 582836846 /nfs/dbraw/zinc/83/68/46/582836846.db2.gz RTBUIZRUKDQYEY-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 769961826 582841233 /nfs/dbraw/zinc/84/12/33/582841233.db2.gz NSAFGFMMECHVDZ-AGIUHOORSA-N 1 1 193.334 2.766 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)CCC1CCCCC1 769962092 582841307 /nfs/dbraw/zinc/84/13/07/582841307.db2.gz QBIFXBFAENJMBR-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 769961831 582841408 /nfs/dbraw/zinc/84/14/08/582841408.db2.gz NSAFGFMMECHVDZ-FRRDWIJNSA-N 1 1 193.334 2.766 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)CCC1CCCCC1 769962095 582841519 /nfs/dbraw/zinc/84/15/19/582841519.db2.gz QBIFXBFAENJMBR-LBPRGKRZSA-N 1 1 193.334 2.910 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCC[C@H](C)C1 769961827 582841552 /nfs/dbraw/zinc/84/15/52/582841552.db2.gz NSAFGFMMECHVDZ-AVGNSLFASA-N 1 1 193.334 2.766 20 30 AFEDMO C#CCC[N@@H+]1CC[C@H](C)C2(CCC2)C1 771465893 582846063 /nfs/dbraw/zinc/84/60/63/582846063.db2.gz XYRIWIUTQURPLM-LBPRGKRZSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 771465892 582846201 /nfs/dbraw/zinc/84/62/01/582846201.db2.gz XYRIWIUTQURPLM-GFCCVEGCSA-N 1 1 191.318 2.522 20 30 AFEDMO C=C(C)CO[NH+]=C(N)C1CCCCC1 771653155 582846609 /nfs/dbraw/zinc/84/66/09/582846609.db2.gz XAURBCYBVGRWSW-UHFFFAOYSA-N 1 1 196.294 2.641 20 30 AFEDMO C=C(CC)CO[NH+]=C(N)CCC(C)C 773177496 582853360 /nfs/dbraw/zinc/85/33/60/582853360.db2.gz NTKQSXHCXNGDJN-UHFFFAOYSA-N 1 1 198.310 2.887 20 30 AFEDMO C=C(CC)CO[NH+]=C(N)C1CCCC1 773181214 582853669 /nfs/dbraw/zinc/85/36/69/582853669.db2.gz HGGMGZXIYZLVCS-UHFFFAOYSA-N 1 1 196.294 2.641 20 30 AFEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCC=CO1 774821593 582859918 /nfs/dbraw/zinc/85/99/18/582859918.db2.gz YECMXPCRICZOLZ-LBPRGKRZSA-N 1 1 195.306 2.577 20 30 AFEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCC=CO1 774821592 582860192 /nfs/dbraw/zinc/86/01/92/582860192.db2.gz YECMXPCRICZOLZ-GFCCVEGCSA-N 1 1 195.306 2.577 20 30 AFEDMO C=CC[N@H+](CCC(C)(C)C#N)C(C)C 776580295 582866107 /nfs/dbraw/zinc/86/61/07/582866107.db2.gz SLKWWZKHXVATJV-UHFFFAOYSA-N 1 1 194.322 2.823 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(CF)cc1 778170455 582869227 /nfs/dbraw/zinc/86/92/27/582869227.db2.gz QZFQSPUKBFSGMF-UHFFFAOYSA-N 1 1 193.265 2.774 20 30 AFEDMO C#CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 782503439 582884303 /nfs/dbraw/zinc/88/43/03/582884303.db2.gz LJGSUYSYBFHPDB-XQQFMLRXSA-N 1 1 191.318 2.520 20 30 AFEDMO C#CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 782503441 582884464 /nfs/dbraw/zinc/88/44/64/582884464.db2.gz LJGSUYSYBFHPDB-YNEHKIRRSA-N 1 1 191.318 2.520 20 30 AFEDMO C#CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 782503429 582884737 /nfs/dbraw/zinc/88/47/37/582884737.db2.gz LJGSUYSYBFHPDB-AVGNSLFASA-N 1 1 191.318 2.520 20 30 AFEDMO C#CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 782503434 582884768 /nfs/dbraw/zinc/88/47/68/582884768.db2.gz LJGSUYSYBFHPDB-RWMBFGLXSA-N 1 1 191.318 2.520 20 30 AFEDMO C#CCC[N@H+]1CCCC2(CCCC2)C1 782637727 582884931 /nfs/dbraw/zinc/88/49/31/582884931.db2.gz UVGAJSUMWDYSOG-UHFFFAOYSA-N 1 1 191.318 2.666 20 30 AFEDMO CC#CC[N@H+]1CCCC2(CCCC2)C1 782636706 582885545 /nfs/dbraw/zinc/88/55/45/582885545.db2.gz IPMCMXWDBQEZGY-UHFFFAOYSA-N 1 1 191.318 2.666 20 30 AFEDMO CC(C)C[N@@H+](CCC#N)CC1(C)CC1 787047746 582897769 /nfs/dbraw/zinc/89/77/69/582897769.db2.gz DHORZBKPAUYIQD-UHFFFAOYSA-N 1 1 194.322 2.658 20 30 AFEDMO C#CC[N@@H+]1CCCC(CC)(CC)CC1 787341785 582899521 /nfs/dbraw/zinc/89/95/21/582899521.db2.gz RVXBWERGXBQWLR-UHFFFAOYSA-N 1 1 193.334 2.912 20 30 AFEDMO C#CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C 805839916 582900066 /nfs/dbraw/zinc/90/00/66/582900066.db2.gz VLTMIROQGZYALN-NWDGAFQWSA-N 1 1 193.334 2.766 20 30 AFEDMO C#CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C 805839909 582900162 /nfs/dbraw/zinc/90/01/62/582900162.db2.gz VLTMIROQGZYALN-NEPJUHHUSA-N 1 1 193.334 2.766 20 30 AFEDMO C#CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C 805839921 582900255 /nfs/dbraw/zinc/90/02/55/582900255.db2.gz VLTMIROQGZYALN-VXGBXAGGSA-N 1 1 193.334 2.766 20 30 AFEDMO C#CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C 805839917 582900437 /nfs/dbraw/zinc/90/04/37/582900437.db2.gz VLTMIROQGZYALN-RYUDHWBXSA-N 1 1 193.334 2.766 20 30 AFEDMO C#CC[N@H+](CC(=C)C)Cc1ccccc1 791569595 582913683 /nfs/dbraw/zinc/91/36/83/582913683.db2.gz WJPPAWJLGBVRKH-UHFFFAOYSA-N 1 1 199.297 2.698 20 30 AFEDMO C#CC[N@H+](C)[C@H](C)c1cccc(C)c1 792302343 582916078 /nfs/dbraw/zinc/91/60/78/582916078.db2.gz UEORQQXNFRBBJV-GFCCVEGCSA-N 1 1 187.286 2.621 20 30 AFEDMO C#CC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 792298482 582916453 /nfs/dbraw/zinc/91/64/53/582916453.db2.gz MCPSRKDURVUUAE-OLZOCXBDSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CC[N@H+](C)[C@@H](C)c1cccc(C)c1 792302344 582916558 /nfs/dbraw/zinc/91/65/58/582916558.db2.gz UEORQQXNFRBBJV-LBPRGKRZSA-N 1 1 187.286 2.621 20 30 AFEDMO C#CC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 792298481 582916848 /nfs/dbraw/zinc/91/68/48/582916848.db2.gz MCPSRKDURVUUAE-CHWSQXEVSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 792298483 582917052 /nfs/dbraw/zinc/91/70/52/582917052.db2.gz MCPSRKDURVUUAE-QWHCGFSZSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 792298484 582917374 /nfs/dbraw/zinc/91/73/74/582917374.db2.gz MCPSRKDURVUUAE-STQMWFEESA-N 1 1 193.334 2.768 20 30 AFEDMO C=CC[N@@H+](CCC#N)CCCCCC 794735718 582921622 /nfs/dbraw/zinc/92/16/22/582921622.db2.gz RWXQRSKDQZGUKC-UHFFFAOYSA-N 1 1 194.322 2.968 20 30 AFEDMO C=CC[N@H+](CCC#N)CCCCCC 794735718 582921624 /nfs/dbraw/zinc/92/16/24/582921624.db2.gz RWXQRSKDQZGUKC-UHFFFAOYSA-N 1 1 194.322 2.968 20 30 AFEDMO C#CCCC[N@H+](C)[C@@H]1CCC(C)(C)C1 796532618 582925410 /nfs/dbraw/zinc/92/54/10/582925410.db2.gz PQUDLIQHFKEXRR-GFCCVEGCSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCC[N@H+](CC1CCC1)CC1CC1 796576197 582925504 /nfs/dbraw/zinc/92/55/04/582925504.db2.gz VUSYFZXWYYBLOL-UHFFFAOYSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CCCC[N@H+]1CCC[C@@H](C2CC2)C1 808777080 582959686 /nfs/dbraw/zinc/95/96/86/582959686.db2.gz WGHMFVNVMJNYGF-CYBMUJFWSA-N 1 1 191.318 2.522 20 30 AFEDMO C#CCCC[N@H+]1CCC[C@H](C2CC2)C1 808777081 582960303 /nfs/dbraw/zinc/96/03/03/582960303.db2.gz WGHMFVNVMJNYGF-ZDUSSCGKSA-N 1 1 191.318 2.522 20 30 AFEDMO C#Cc1ccc(C[N@@H+](C)CC2CC2)cc1 809549644 582960593 /nfs/dbraw/zinc/96/05/93/582960593.db2.gz LDWAXSDSWNMYES-UHFFFAOYSA-N 1 1 199.297 2.510 20 30 AFEDMO C#Cc1ccc(C[N@H+](C)C(C)C)cc1 809539051 582960807 /nfs/dbraw/zinc/96/08/07/582960807.db2.gz XYLAFYAEFMTQFO-UHFFFAOYSA-N 1 1 187.286 2.508 20 30 AFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1 809574265 582960902 /nfs/dbraw/zinc/96/09/02/582960902.db2.gz JRNARVKONMESQG-LBPRGKRZSA-N 1 1 199.297 2.652 20 30 AFEDMO C#Cc1ccc(C[N@H+](CC)C2CC2)cc1 809546321 582961075 /nfs/dbraw/zinc/96/10/75/582961075.db2.gz QYZVWVPTZUSQCI-UHFFFAOYSA-N 1 1 199.297 2.652 20 30 AFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C)cc1 809574264 582961268 /nfs/dbraw/zinc/96/12/68/582961268.db2.gz JRNARVKONMESQG-GFCCVEGCSA-N 1 1 199.297 2.652 20 30 AFEDMO C#Cc1ccc(C[N@H+](C)C2CCC2)cc1 809578822 582961587 /nfs/dbraw/zinc/96/15/87/582961587.db2.gz RASUMDAMVPMQSB-UHFFFAOYSA-N 1 1 199.297 2.652 20 30 AFEDMO C#Cc1ccc(C[N@@H+](C)CC(=C)C)cc1 809634775 582962458 /nfs/dbraw/zinc/96/24/58/582962458.db2.gz NXLZUNSHVIDJEA-UHFFFAOYSA-N 1 1 199.297 2.676 20 30 AFEDMO C#Cc1ccc(C[N@@H+](C)CCC=C)cc1 809650664 582962503 /nfs/dbraw/zinc/96/25/03/582962503.db2.gz IGLVZIBSGCDWDI-UHFFFAOYSA-N 1 1 199.297 2.676 20 30 AFEDMO C#CC[N@H+](C)C[C@H](C)C1CCCCC1 815101358 582982203 /nfs/dbraw/zinc/98/22/03/582982203.db2.gz WQOPZGUWDBMIEN-LBPRGKRZSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CC[N@H+](CC)[C@@H]1C=CCCCCC1 815058816 582982511 /nfs/dbraw/zinc/98/25/11/582982511.db2.gz VALJCYGFEJGKPG-CYBMUJFWSA-N 1 1 191.318 2.830 20 30 AFEDMO C#CC[N@H+](C)C[C@@H](C)C1CCCCC1 815101357 582983149 /nfs/dbraw/zinc/98/31/49/582983149.db2.gz WQOPZGUWDBMIEN-GFCCVEGCSA-N 1 1 193.334 2.768 20 30 AFEDMO C#CC[N@H+](CC)[C@H]1C=CCCCCC1 815058817 582983264 /nfs/dbraw/zinc/98/32/64/582983264.db2.gz VALJCYGFEJGKPG-ZDUSSCGKSA-N 1 1 191.318 2.830 20 30 AFEDMO C#CC[N@H+](CC)Cc1ccsc1C 816496703 582985981 /nfs/dbraw/zinc/98/59/81/582985981.db2.gz SYXXTVXSTWNBHN-UHFFFAOYSA-N 1 1 193.315 2.512 20 30 AFEDMO C#CC[N@H+](CC)Cc1csc(C)c1 823419142 583040615 /nfs/dbraw/zinc/04/06/15/583040615.db2.gz SXLRGTQZGZYQLJ-UHFFFAOYSA-N 1 1 193.315 2.512 20 30 AFEDMO C=C(C)C[N@@H+](C)CC1CC(F)(F)C1 828738089 583060924 /nfs/dbraw/zinc/06/09/24/583060924.db2.gz OYSPWMOHIORKCT-UHFFFAOYSA-N 1 1 189.249 2.540 20 30 AFEDMO C=CCC[N@H+](C)CC1CC(F)(F)C1 829141075 583062072 /nfs/dbraw/zinc/06/20/72/583062072.db2.gz ZQYUDABIMPOMCE-UHFFFAOYSA-N 1 1 189.249 2.540 20 30 AFEDMO C#C[C@@H](C)[N@@H+](C)CCC1=CCCCC1 829283772 583062159 /nfs/dbraw/zinc/06/21/59/583062159.db2.gz VRTMBHZIUMWSIP-GFCCVEGCSA-N 1 1 191.318 2.830 20 30 AFEDMO C#CC(C)(C)[N@@H+](C)CCCCC=C 829244607 583062424 /nfs/dbraw/zinc/06/24/24/583062424.db2.gz ZGPORWZNBLFZTB-UHFFFAOYSA-N 1 1 179.307 2.686 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)CCC1=CCCCC1 829283773 583062701 /nfs/dbraw/zinc/06/27/01/583062701.db2.gz VRTMBHZIUMWSIP-LBPRGKRZSA-N 1 1 191.318 2.830 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@]1(C)CC(C)C 830803982 583069934 /nfs/dbraw/zinc/06/99/34/583069934.db2.gz SNSNIWLRVFFEDY-CYBMUJFWSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CC[N@@H+]1CCC[C@@]1(C)CC(C)C 830799262 583070084 /nfs/dbraw/zinc/07/00/84/583070084.db2.gz OWRRTWTZVALONE-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC[N@@H+]1CCC[C@]1(C)CC(C)C 830799256 583070124 /nfs/dbraw/zinc/07/01/24/583070124.db2.gz OWRRTWTZVALONE-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CCC[N@@H+]1CCC[C@@]1(C)CC(C)C 830803991 583070228 /nfs/dbraw/zinc/07/02/28/583070228.db2.gz SNSNIWLRVFFEDY-ZDUSSCGKSA-N 1 1 193.334 2.910 20 30 AFEDMO C#CCCC[N@H+]1[C@H](C)CCC1(C)C 832565063 583078910 /nfs/dbraw/zinc/07/89/10/583078910.db2.gz NJTDKMQJLZNKNI-LLVKDONJSA-N 1 1 179.307 2.663 20 30 AFEDMO C#CCCC[N@H+]1[C@@H](C)CCC1(C)C 832565064 583079281 /nfs/dbraw/zinc/07/92/81/583079281.db2.gz NJTDKMQJLZNKNI-NSHDSACASA-N 1 1 179.307 2.663 20 30 AFEDMO C=C(Cl)C[N@@H+](C)Cc1ccccc1 1685538 583081657 /nfs/dbraw/zinc/08/16/57/583081657.db2.gz XJDWVCVJQHHSAQ-UHFFFAOYSA-N 1 1 195.693 2.871 20 30 AFEDMO C=C(Cl)C[N@H+](C)Cc1ccccc1 1685538 583081659 /nfs/dbraw/zinc/08/16/59/583081659.db2.gz XJDWVCVJQHHSAQ-UHFFFAOYSA-N 1 1 195.693 2.871 20 30 AFEDMO C=CC[N@@H+](Cc1ccoc1C)C(C)C 840910506 583111193 /nfs/dbraw/zinc/11/11/93/583111193.db2.gz OKPULWHYFFZDLW-UHFFFAOYSA-N 1 1 193.290 2.984 20 30 AFEDMO C=CCCCCO[NH+]=C(N)CC1CC1 842032596 583120075 /nfs/dbraw/zinc/12/00/75/583120075.db2.gz FKPUEZREDSYFEM-UHFFFAOYSA-N 1 1 196.294 2.641 20 30 AFEDMO C=CCCCCO[NH+]=C(N)CC(C)C 842025488 583120111 /nfs/dbraw/zinc/12/01/11/583120111.db2.gz PZWULKWXZWHCNN-UHFFFAOYSA-N 1 1 198.310 2.887 20 30 AFEDMO C=C(Cl)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 842166116 583121521 /nfs/dbraw/zinc/12/15/21/583121521.db2.gz IJLMHLLMCQQPJG-FXBDTBDDSA-N 1 1 187.714 2.715 20 30 AFEDMO C=C(Cl)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 842166127 583122803 /nfs/dbraw/zinc/12/28/03/583122803.db2.gz IJLMHLLMCQQPJG-UJNFCWOMSA-N 1 1 187.714 2.715 20 30 AFEDMO C=C(Cl)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 842166125 583122858 /nfs/dbraw/zinc/12/28/58/583122858.db2.gz IJLMHLLMCQQPJG-SFGNSQDASA-N 1 1 187.714 2.715 20 30 AFEDMO C=C(Cl)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 842166124 583122894 /nfs/dbraw/zinc/12/28/94/583122894.db2.gz IJLMHLLMCQQPJG-HGNGGELXSA-N 1 1 187.714 2.715 20 30 AFEDMO C=C(Cl)C[N@H+](CCC)C(C)C 847033333 583161511 /nfs/dbraw/zinc/16/15/11/583161511.db2.gz PCPJCWJHMKIDAL-UHFFFAOYSA-N 1 1 175.703 2.859 20 30 AFEDMO C=CC[N@@H+](CC1CC=CC1)C(C)C 851731644 583191326 /nfs/dbraw/zinc/19/13/26/583191326.db2.gz WGXVCSJCUMONML-UHFFFAOYSA-N 1 1 179.307 2.849 20 30 AFEDMO C#CC[N@@H+](CC)CCCC1CCC1 851799343 583196594 /nfs/dbraw/zinc/19/65/94/583196594.db2.gz OHEWFGMUWDSABU-UHFFFAOYSA-N 1 1 179.307 2.522 20 30 AFEDMO C=CCC[N@@H+](C)CC=C(Cl)Cl 851973877 583201068 /nfs/dbraw/zinc/20/10/68/583201068.db2.gz MDZGFXLYZCIYRJ-UHFFFAOYSA-N 1 1 194.105 2.813 20 30 AFEDMO C=CCC[N@H+](C)CC=C(Cl)Cl 851973877 583201069 /nfs/dbraw/zinc/20/10/69/583201069.db2.gz MDZGFXLYZCIYRJ-UHFFFAOYSA-N 1 1 194.105 2.813 20 30 AFEDMO C#CC(C)(C)[N@H+](C)CC(CC)CC 851986763 583202722 /nfs/dbraw/zinc/20/27/22/583202722.db2.gz NHGSOPQTTVUGEA-UHFFFAOYSA-N 1 1 181.323 2.766 20 30 AFEDMO C#CC(C)(C)[N@@H+](C)CCC1CCC1 851987028 583202804 /nfs/dbraw/zinc/20/28/04/583202804.db2.gz RVSARLVIXRMIEU-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C#CC(C)(C)[N@@H+](C)CCC=C(C)C 851987702 583203134 /nfs/dbraw/zinc/20/31/34/583203134.db2.gz WTPFRMZQADRJQZ-UHFFFAOYSA-N 1 1 179.307 2.686 20 30 AFEDMO C=C(Cl)C[N@H+](CC)[C@@H](C)CC 852290164 583205766 /nfs/dbraw/zinc/20/57/66/583205766.db2.gz FTCDVMSAAYPXSN-VIFPVBQESA-N 1 1 175.703 2.859 20 30 AFEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CC 852290163 583206266 /nfs/dbraw/zinc/20/62/66/583206266.db2.gz FTCDVMSAAYPXSN-SECBINFHSA-N 1 1 175.703 2.859 20 30 AFEDMO C=CC[N@H+](CCC(=O)CC)C(C)(C)C 852554945 583208348 /nfs/dbraw/zinc/20/83/48/583208348.db2.gz ZCZIBLKAIMYEEY-UHFFFAOYSA-N 1 1 197.322 2.642 20 30 AFEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CC1(C)C 852771832 583210906 /nfs/dbraw/zinc/21/09/06/583210906.db2.gz IIRUCDLTOINQFS-SECBINFHSA-N 1 1 187.714 2.717 20 30 AFEDMO C#CCC[N@@H+]1[C@@H](C)CCC[C@H]1CC 852712925 583210991 /nfs/dbraw/zinc/21/09/91/583210991.db2.gz ZUEZJCNZAJBRLG-NWDGAFQWSA-N 1 1 179.307 2.663 20 30 AFEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CC1(C)C 852771833 583211429 /nfs/dbraw/zinc/21/14/29/583211429.db2.gz IIRUCDLTOINQFS-VIFPVBQESA-N 1 1 187.714 2.717 20 30 AFEDMO C#CCC[N@H+](CCC(C)C)C1CC1 113272680 583246716 /nfs/dbraw/zinc/24/67/16/583246716.db2.gz XXGZLIQTEQKJSC-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCCCCO[NH+]=C(N)C1CCC1 871765893 583354784 /nfs/dbraw/zinc/35/47/84/583354784.db2.gz NVSCZVZTOQNJOO-UHFFFAOYSA-N 1 1 196.294 2.641 20 30 AFEDMO C=CC[N@@H+](C[C@H](C)CCC#N)C(C)C 876598417 583387811 /nfs/dbraw/zinc/38/78/11/583387811.db2.gz WZOJQGCYOVKHGT-GFCCVEGCSA-N 1 1 194.322 2.823 20 30 AFEDMO C=CC[N@H+](C[C@@H](CCC)OC)C(C)C 876598768 583387843 /nfs/dbraw/zinc/38/78/43/583387843.db2.gz ZCBQCGBSQFDBQX-GFCCVEGCSA-N 1 1 199.338 2.698 20 30 AFEDMO CC[N@@H+](C[C@H](C)CCC#N)C(C)C 876562272 583387196 /nfs/dbraw/zinc/38/71/96/583387196.db2.gz XZONIESGGMWJCY-LLVKDONJSA-N 1 1 182.311 2.657 20 30 AFEDMO CC[N@@H+](C[C@@H](C)CCC#N)C(C)C 876562273 583387451 /nfs/dbraw/zinc/38/74/51/583387451.db2.gz XZONIESGGMWJCY-NSHDSACASA-N 1 1 182.311 2.657 20 30 AFEDMO C#CCCCCCC[N@H+](C)C(C)C 876528569 583387487 /nfs/dbraw/zinc/38/74/87/583387487.db2.gz YWKKBSUIPDBCOE-UHFFFAOYSA-N 1 1 181.323 2.910 20 30 AFEDMO C=CC[N@H+](Cc1ccns1)C(C)C 876597568 583387876 /nfs/dbraw/zinc/38/78/76/583387876.db2.gz OPEFUARPAHKTFM-UHFFFAOYSA-N 1 1 196.319 2.540 20 30 AFEDMO C=CC[N@@H+](Cc1ccns1)C(C)C 876597568 583387880 /nfs/dbraw/zinc/38/78/80/583387880.db2.gz OPEFUARPAHKTFM-UHFFFAOYSA-N 1 1 196.319 2.540 20 30 AFEDMO C=CC[N@@H+](C[C@@H](C)CCC#N)C(C)C 876598418 583388059 /nfs/dbraw/zinc/38/80/59/583388059.db2.gz WZOJQGCYOVKHGT-LBPRGKRZSA-N 1 1 194.322 2.823 20 30 AFEDMO C#CCCCCCC[N@H+](C)C1CC1 876581046 583388154 /nfs/dbraw/zinc/38/81/54/583388154.db2.gz XQJSSLMQIRSXCG-UHFFFAOYSA-N 1 1 179.307 2.664 20 30 AFEDMO C=CC[N@H+](C[C@H](CCC)OC)C(C)C 876598769 583388164 /nfs/dbraw/zinc/38/81/64/583388164.db2.gz ZCBQCGBSQFDBQX-LBPRGKRZSA-N 1 1 199.338 2.698 20 30 AFEDMO C#CCCCCCC[N@@H+]1C[C@H]2C[C@H]2C1 877651104 583396547 /nfs/dbraw/zinc/39/65/47/583396547.db2.gz VRYOZFBIJZXNOU-BETUJISGSA-N 1 1 191.318 2.522 20 30 AFEDMO C=CC[N@@H+](CC1(CC#N)CC1)C(C)C 877977231 583402011 /nfs/dbraw/zinc/40/20/11/583402011.db2.gz VJVUKPPCCBJUTQ-UHFFFAOYSA-N 1 1 192.306 2.577 20 30 AFEDMO C=C/C=C\CC[N@H+](CC=C)C1CC1 878341814 583409255 /nfs/dbraw/zinc/40/92/55/583409255.db2.gz IIMHNFMFHLWQJZ-WAYWQWQTSA-N 1 1 177.291 2.769 20 30 AFEDMO C=C(C)C[N@@H+](C)CCCC1CC1 878383310 583409362 /nfs/dbraw/zinc/40/93/62/583409362.db2.gz NFOPBCASYHBMFM-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C/C=C/CC[N@H+](C)CC(=C)C 878383215 583409529 /nfs/dbraw/zinc/40/95/29/583409529.db2.gz LNDKEQXCFZDKFD-VOTSOKGWSA-N 1 1 165.280 2.627 20 30 AFEDMO C=C/C=C\CC[N@H+](C)CC(=C)C 878383214 583409798 /nfs/dbraw/zinc/40/97/98/583409798.db2.gz LNDKEQXCFZDKFD-SREVYHEPSA-N 1 1 165.280 2.627 20 30 AFEDMO C=CC[N@@H+](CCCC1CC1)C1CC1 878341533 583410015 /nfs/dbraw/zinc/41/00/15/583410015.db2.gz BALNCJHIRJZGEM-UHFFFAOYSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C/C=C/CC[N@H+](CC=C)C1CC1 878341813 583410017 /nfs/dbraw/zinc/41/00/17/583410017.db2.gz IIMHNFMFHLWQJZ-AATRIKPKSA-N 1 1 177.291 2.769 20 30 AFEDMO C=CCC[N@@H+](C)CCCC1CC1 878490409 583411770 /nfs/dbraw/zinc/41/17/70/583411770.db2.gz KCIAASXHIOOFKE-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C#CC(C)(C)[N@@H+](C)CCCC1CC1 878513717 583411805 /nfs/dbraw/zinc/41/18/05/583411805.db2.gz GVOOHLGPIXYMBC-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C/C=C\CC[N@@H+](C)CCC=C 878491113 583411813 /nfs/dbraw/zinc/41/18/13/583411813.db2.gz WMWNLYGBDOGFGT-VURMDHGXSA-N 1 1 165.280 2.627 20 30 AFEDMO C=C/C=C/CC[N@@H+](C)CCC=C 878491111 583412216 /nfs/dbraw/zinc/41/22/16/583412216.db2.gz WMWNLYGBDOGFGT-SOFGYWHQSA-N 1 1 165.280 2.627 20 30 AFEDMO C=CC[N@@H+](CCC#N)CCCC1CC1 878639813 583412859 /nfs/dbraw/zinc/41/28/59/583412859.db2.gz WAEUTECPHIWALY-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO C=CC[N@H+](CCC#N)CCCC1CC1 878639813 583412860 /nfs/dbraw/zinc/41/28/60/583412860.db2.gz WAEUTECPHIWALY-UHFFFAOYSA-N 1 1 192.306 2.578 20 30 AFEDMO C=C/C=C\CC[N@H+](C)CC(C)(C)C#N 878650952 583412949 /nfs/dbraw/zinc/41/29/49/583412949.db2.gz RDMWIOFIDNEZOP-SREVYHEPSA-N 1 1 192.306 2.600 20 30 AFEDMO C=C/C=C/CC[N@H+](C)CC(C)(C)C#N 878650953 583413156 /nfs/dbraw/zinc/41/31/56/583413156.db2.gz RDMWIOFIDNEZOP-VOTSOKGWSA-N 1 1 192.306 2.600 20 30 AFEDMO C=CCCC[N@@H+]1CCC=C(Cl)C1 878794149 583414690 /nfs/dbraw/zinc/41/46/90/583414690.db2.gz SRQALGNYWGMRTL-UHFFFAOYSA-N 1 1 185.698 2.781 20 30 AFEDMO C#CC[N@H+](C)[C@H](C)c1ccccc1C 879386818 583419241 /nfs/dbraw/zinc/41/92/41/583419241.db2.gz UOCPQNYXJNLDAT-GFCCVEGCSA-N 1 1 187.286 2.621 20 30 AFEDMO C=C(Cl)C[NH+]1CCC(C)(F)CC1 879380951 583419244 /nfs/dbraw/zinc/41/92/44/583419244.db2.gz DLOVVMUVQHAVHA-UHFFFAOYSA-N 1 1 191.677 2.563 20 30 AFEDMO C#CC[N@H+](C)[C@@H](C)c1ccccc1C 879383920 583419271 /nfs/dbraw/zinc/41/92/71/583419271.db2.gz UOCPQNYXJNLDAT-LBPRGKRZSA-N 1 1 187.286 2.621 20 30 AFEDMO C=C(CC)C[N@H+]1CCC[C@@H](CF)C1 880237616 583427018 /nfs/dbraw/zinc/42/70/18/583427018.db2.gz YMLMBBRFNHNMQD-NSHDSACASA-N 1 1 185.286 2.634 20 30 AFEDMO C=C(CC)C[N@H+]1CCC[C@H](CF)C1 880237615 583427217 /nfs/dbraw/zinc/42/72/17/583427217.db2.gz YMLMBBRFNHNMQD-LLVKDONJSA-N 1 1 185.286 2.634 20 30 AFEDMO C=CCCCC[N@@H+]1CC[C@@H](CF)C1 880300818 583430370 /nfs/dbraw/zinc/43/03/70/583430370.db2.gz XFXUFSZXMDTNJL-NSHDSACASA-N 1 1 185.286 2.634 20 30 AFEDMO C=CCCCC[N@@H+]1CC[C@H](CF)C1 880300817 583431165 /nfs/dbraw/zinc/43/11/65/583431165.db2.gz XFXUFSZXMDTNJL-LLVKDONJSA-N 1 1 185.286 2.634 20 30 AFEDMO C#CC[N@H+]1CCCC[C@H]1c1ccccc1 217553751 583489051 /nfs/dbraw/zinc/48/90/51/583489051.db2.gz SJECFFGRDUMYLA-AWEZNQCLSA-N 1 1 199.297 2.847 20 30 AFEDMO C=CCC[N@@H+](CC(F)F)C1CCC1 887099219 583504723 /nfs/dbraw/zinc/50/47/23/583504723.db2.gz VUOYBMCJYQAZLV-UHFFFAOYSA-N 1 1 189.249 2.682 20 30 AFEDMO C=CCC[N@H+](CC(F)F)C1CCC1 887099219 583504725 /nfs/dbraw/zinc/50/47/25/583504725.db2.gz VUOYBMCJYQAZLV-UHFFFAOYSA-N 1 1 189.249 2.682 20 30 AFEDMO C=CCCCC[N@@H+](C)CCCF 887142632 583505560 /nfs/dbraw/zinc/50/55/60/583505560.db2.gz UAYBRIHRYLRWGT-UHFFFAOYSA-N 1 1 173.275 2.634 20 30 AFEDMO C=CCCCCC[N@H+](C)CC 199339301 490063391 /nfs/dbraw/zinc/06/33/91/490063391.db2.gz SIPREPMPNURDTK-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=CC[N@H+](C)CC(CC)CC 217742571 490068427 /nfs/dbraw/zinc/06/84/27/490068427.db2.gz JROLGJPKDDKVSY-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@@H](C)CC 220969429 490077704 /nfs/dbraw/zinc/07/77/04/490077704.db2.gz LMQHZUAZXWKAMV-JTQLQIEISA-N 1 1 155.285 2.683 20 30 AFEDMO C=C(C)C[N@H+](CC)[C@H](C)CC 220969377 490077717 /nfs/dbraw/zinc/07/77/17/490077717.db2.gz LMQHZUAZXWKAMV-SNVBAGLBSA-N 1 1 155.285 2.683 20 30 AFEDMO CC#CC[N@@H+](C)C/C=C/c1ccccc1 222757850 490081788 /nfs/dbraw/zinc/08/17/88/490081788.db2.gz MLFNHHUOZVPRAG-DHZHZOJOSA-N 1 1 199.297 2.655 20 30 AFEDMO CC#CC[N@@H+](C)C/C=C\c1ccccc1 222757792 490081803 /nfs/dbraw/zinc/08/18/03/490081803.db2.gz MLFNHHUOZVPRAG-FLIBITNWSA-N 1 1 199.297 2.655 20 30 AFEDMO C=C(CC)Cn1cc[nH+]c1CCC 85070620 491026824 /nfs/dbraw/zinc/02/68/24/491026824.db2.gz UTUNDIWHGWZACV-UHFFFAOYSA-N 1 1 178.279 2.802 20 30 AFEDMO C=C(CC)Cn1cc[nH+]c1C(C)C 85070619 491026922 /nfs/dbraw/zinc/02/69/22/491026922.db2.gz SEOSDRDPYDVTNR-UHFFFAOYSA-N 1 1 178.279 2.973 20 30 AFEDMO C=CCC[N@@H+]1CC[C@H](C)C[C@H](C)C1 306327414 491048565 /nfs/dbraw/zinc/04/85/65/491048565.db2.gz XOUGBDNCTOORMR-RYUDHWBXSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 306327410 491048591 /nfs/dbraw/zinc/04/85/91/491048591.db2.gz XOUGBDNCTOORMR-NEPJUHHUSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 306167041 491046078 /nfs/dbraw/zinc/04/60/78/491046078.db2.gz VNVZJKNGQAVERC-NEPJUHHUSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@H](C)C1 306167047 491046094 /nfs/dbraw/zinc/04/60/94/491046094.db2.gz VNVZJKNGQAVERC-VXGBXAGGSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@@H](C)C1 306167045 491046157 /nfs/dbraw/zinc/04/61/57/491046157.db2.gz VNVZJKNGQAVERC-RYUDHWBXSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@H](C)C1 306167043 491046209 /nfs/dbraw/zinc/04/62/09/491046209.db2.gz VNVZJKNGQAVERC-NWDGAFQWSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCC[N@@H+]1C[C@H](C)CC(C)(C)C1 306196688 491046538 /nfs/dbraw/zinc/04/65/38/491046538.db2.gz WENUNOFKRDVAOA-LLVKDONJSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCC[N@@H+]1C[C@@H](C)CC(C)(C)C1 306196690 491046550 /nfs/dbraw/zinc/04/65/50/491046550.db2.gz WENUNOFKRDVAOA-NSHDSACASA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@@H](C2CC2)C1 306217757 491046838 /nfs/dbraw/zinc/04/68/38/491046838.db2.gz KHCFDSWIEWZSRW-GFCCVEGCSA-N 1 1 179.307 2.685 20 30 AFEDMO C=C(C)C[N@H+]1CCC[C@H](C2CC2)C1 306217758 491046864 /nfs/dbraw/zinc/04/68/64/491046864.db2.gz KHCFDSWIEWZSRW-LBPRGKRZSA-N 1 1 179.307 2.685 20 30 AFEDMO C=C(CC)C[N@H+]1CCC[C@@H](C)C1 306272575 491047678 /nfs/dbraw/zinc/04/76/78/491047678.db2.gz XONQMVRPCGLTHQ-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(CC)C[N@H+]1CCC[C@H](C)C1 306272576 491047705 /nfs/dbraw/zinc/04/77/05/491047705.db2.gz XONQMVRPCGLTHQ-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 306290777 491048023 /nfs/dbraw/zinc/04/80/23/491048023.db2.gz QFCIEJIEZFXBOX-VXGBXAGGSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](C)[C@H]1CCC(C)(C)C1 306291266 491048027 /nfs/dbraw/zinc/04/80/27/491048027.db2.gz SHARDFQPKLVMBS-JTQLQIEISA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@H](C)C[C@H](C)C1 306290776 491048074 /nfs/dbraw/zinc/04/80/74/491048074.db2.gz QFCIEJIEZFXBOX-RYUDHWBXSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@H](C)C[C@@H](C)C1 306290774 491048106 /nfs/dbraw/zinc/04/81/06/491048106.db2.gz QFCIEJIEZFXBOX-NWDGAFQWSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 306290772 491048119 /nfs/dbraw/zinc/04/81/19/491048119.db2.gz QFCIEJIEZFXBOX-NEPJUHHUSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](C)[C@@H]1CCC(C)(C)C1 306291267 491048132 /nfs/dbraw/zinc/04/81/32/491048132.db2.gz SHARDFQPKLVMBS-SNVBAGLBSA-N 1 1 167.296 2.683 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 306293434 491048166 /nfs/dbraw/zinc/04/81/66/491048166.db2.gz WQRZFBKVPPHICH-VXGBXAGGSA-N 1 1 179.307 2.520 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](C)C1 306293433 491048170 /nfs/dbraw/zinc/04/81/70/491048170.db2.gz WQRZFBKVPPHICH-RYUDHWBXSA-N 1 1 179.307 2.520 20 30 AFEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](C)C1 306293432 491048181 /nfs/dbraw/zinc/04/81/81/491048181.db2.gz WQRZFBKVPPHICH-NWDGAFQWSA-N 1 1 179.307 2.520 20 30 AFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](C)C1 306293431 491048183 /nfs/dbraw/zinc/04/81/83/491048183.db2.gz WQRZFBKVPPHICH-NEPJUHHUSA-N 1 1 179.307 2.520 20 30 AFEDMO C=CCC[N@@H+]1CC[C@H](C)C[C@@H](C)C1 306327412 491048523 /nfs/dbraw/zinc/04/85/23/491048523.db2.gz XOUGBDNCTOORMR-NWDGAFQWSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)CC[N@H+]1CCC2(CCC2)C1 306328850 491048540 /nfs/dbraw/zinc/04/85/40/491048540.db2.gz NVRNBPHICNEKCT-UHFFFAOYSA-N 1 1 179.307 2.829 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 306327416 491048599 /nfs/dbraw/zinc/04/85/99/491048599.db2.gz XOUGBDNCTOORMR-VXGBXAGGSA-N 1 1 181.323 2.931 20 30 AFEDMO CC#CC[N@@H+](C)[C@@H]1CCC(C)(C)C1 306390564 491049924 /nfs/dbraw/zinc/04/99/24/491049924.db2.gz YQJGPKVVHLLPGC-LLVKDONJSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CC[N@@H+](C)[C@H]1CCC(C)(C)C1 306390565 491049982 /nfs/dbraw/zinc/04/99/82/491049982.db2.gz YQJGPKVVHLLPGC-NSHDSACASA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(C)CC[N@@H+]1CC=C(C)CC1 306399348 491050092 /nfs/dbraw/zinc/05/00/92/491050092.db2.gz KJASAGZLDNCWFI-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO C=C(C)CC[N@@H+]1CCC[C@H](C)C1 306418489 491050359 /nfs/dbraw/zinc/05/03/59/491050359.db2.gz VDVSYJGAPPZGON-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(CC)C[N@H+]1CCC(C)=C(C)C1 306413791 491050404 /nfs/dbraw/zinc/05/04/04/491050404.db2.gz NGLZVFYFWMPIHW-UHFFFAOYSA-N 1 1 179.307 2.995 20 30 AFEDMO C=C(C)CC[N@@H+]1CCC[C@@H](C)C1 306418486 491050468 /nfs/dbraw/zinc/05/04/68/491050468.db2.gz VDVSYJGAPPZGON-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[N@@H+]1C[C@H](C)CC(C)(C)C1 306429328 491050840 /nfs/dbraw/zinc/05/08/40/491050840.db2.gz OOCSWJYKICCGPN-SNVBAGLBSA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@H+]1CCCC12CCCCC2 306425392 491050897 /nfs/dbraw/zinc/05/08/97/491050897.db2.gz JIDGQIMENCSPEY-UHFFFAOYSA-N 1 1 179.307 2.971 20 30 AFEDMO C=CC[N@@H+]1C[C@@H](C)CC(C)(C)C1 306429327 491050912 /nfs/dbraw/zinc/05/09/12/491050912.db2.gz OOCSWJYKICCGPN-JTQLQIEISA-N 1 1 167.296 2.540 20 30 AFEDMO C=C(CC)C[N@H+]1CCC=C(C)C1 306433097 491051010 /nfs/dbraw/zinc/05/10/10/491051010.db2.gz VUENPIZWPSTIRE-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO C=CC[N@@H+]1CC[C@H](C(C)(C)C)C1 306433800 491051032 /nfs/dbraw/zinc/05/10/32/491051032.db2.gz XWZIZJYFODETKJ-JTQLQIEISA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 306433801 491051096 /nfs/dbraw/zinc/05/10/96/491051096.db2.gz XWZIZJYFODETKJ-SNVBAGLBSA-N 1 1 167.296 2.540 20 30 AFEDMO C=C(CC)C[N@@H+]1C[C@H]2CCC[C@H]2C1 306453383 491051454 /nfs/dbraw/zinc/05/14/54/491051454.db2.gz YFUDNEWFERCHBR-TXEJJXNPSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[N@H+]1CCS[C@@H]2CCCC[C@H]21 306514032 491052513 /nfs/dbraw/zinc/05/25/13/491052513.db2.gz TWWGOCXIRANSSU-GHMZBOCLSA-N 1 1 197.347 2.532 20 30 AFEDMO C=CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 306514035 491052521 /nfs/dbraw/zinc/05/25/21/491052521.db2.gz TWWGOCXIRANSSU-WDEREUQCSA-N 1 1 197.347 2.532 20 30 AFEDMO C=C(C)CC[N@H+]1CCSC(C)(C)C1 306513664 491052547 /nfs/dbraw/zinc/05/25/47/491052547.db2.gz SQEGRQAPZGDFHW-UHFFFAOYSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CC[N@H+]1CCS[C@H]2CCCC[C@H]21 306514033 491052614 /nfs/dbraw/zinc/05/26/14/491052614.db2.gz TWWGOCXIRANSSU-MNOVXSKESA-N 1 1 197.347 2.532 20 30 AFEDMO C=CC[N@H+]1CCS[C@H]2CCCC[C@@H]21 306514034 491052642 /nfs/dbraw/zinc/05/26/42/491052642.db2.gz TWWGOCXIRANSSU-QWRGUYRKSA-N 1 1 197.347 2.532 20 30 AFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](C)C1 306536075 491052771 /nfs/dbraw/zinc/05/27/71/491052771.db2.gz QGPGEISDDTVCDQ-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)C[N@@H+]1CCCC[C@H](C)C1 306536076 491052843 /nfs/dbraw/zinc/05/28/43/491052843.db2.gz QGPGEISDDTVCDQ-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[N@@H+]1CCC[C@H](C(C)C)C1 306568732 491053369 /nfs/dbraw/zinc/05/33/69/491053369.db2.gz VGIKWWSIXHQMRY-NSHDSACASA-N 1 1 167.296 2.540 20 30 AFEDMO C=CC[N@@H+]1CCC[C@@H](C(C)C)C1 306568731 491053430 /nfs/dbraw/zinc/05/34/30/491053430.db2.gz VGIKWWSIXHQMRY-LLVKDONJSA-N 1 1 167.296 2.540 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@H](C)CC1 306598806 491053801 /nfs/dbraw/zinc/05/38/01/491053801.db2.gz YAYQMQAAQFQMFE-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO C=CC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 306596012 491053803 /nfs/dbraw/zinc/05/38/03/491053803.db2.gz UTMIPQPVQPEZPX-SDDRHHMPSA-N 1 1 179.307 2.683 20 30 AFEDMO C=CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 306596026 491053815 /nfs/dbraw/zinc/05/38/15/491053815.db2.gz UTMIPQPVQPEZPX-TUAOUCFPSA-N 1 1 179.307 2.683 20 30 AFEDMO C=CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 306596002 491053836 /nfs/dbraw/zinc/05/38/36/491053836.db2.gz UTMIPQPVQPEZPX-QJPTWQEYSA-N 1 1 179.307 2.683 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@@H](C)CC1 306598805 491053862 /nfs/dbraw/zinc/05/38/62/491053862.db2.gz YAYQMQAAQFQMFE-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO C=CC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 306596018 491053887 /nfs/dbraw/zinc/05/38/87/491053887.db2.gz UTMIPQPVQPEZPX-SRVKXCTJSA-N 1 1 179.307 2.683 20 30 AFEDMO C=CC[N@H+]1CCc2sccc2[C@@H]1C 306697185 491054674 /nfs/dbraw/zinc/05/46/74/491054674.db2.gz YVXJQJNEFZLCJB-VIFPVBQESA-N 1 1 193.315 2.853 20 30 AFEDMO C=CC[N@H+]1CCc2sccc2[C@H]1C 306697184 491054691 /nfs/dbraw/zinc/05/46/91/491054691.db2.gz YVXJQJNEFZLCJB-SECBINFHSA-N 1 1 193.315 2.853 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@@H](C(C)C)C1 306752824 491055279 /nfs/dbraw/zinc/05/52/79/491055279.db2.gz JAKTXRZMRWWLQL-GFCCVEGCSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@@H+]1CCC[C@H](C(C)C)C1 306752825 491055282 /nfs/dbraw/zinc/05/52/82/491055282.db2.gz JAKTXRZMRWWLQL-LBPRGKRZSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(CC)C[N@H+]1CCSCC[C@H]1C 307195267 491059273 /nfs/dbraw/zinc/05/92/73/491059273.db2.gz RCMPLWIPUUZWMC-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(CC)C[N@H+]1CCSCC[C@@H]1C 307195268 491059292 /nfs/dbraw/zinc/05/92/92/491059292.db2.gz RCMPLWIPUUZWMC-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(CC)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 306927556 491056663 /nfs/dbraw/zinc/05/66/63/491056663.db2.gz USAMNPJFRVNNMA-TXEJJXNPSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(CC)C[N@@H+]1CCC=C(F)C1 306968012 491057093 /nfs/dbraw/zinc/05/70/93/491057093.db2.gz QGVHTGNXEASPNB-UHFFFAOYSA-N 1 1 169.243 2.512 20 30 AFEDMO C=C(CC)C[N@H+]1CCC=C(F)C1 306968012 491057094 /nfs/dbraw/zinc/05/70/94/491057094.db2.gz QGVHTGNXEASPNB-UHFFFAOYSA-N 1 1 169.243 2.512 20 30 AFEDMO C=CCC[N@H+]1CCC(C)=C(C)C1 306971308 491057235 /nfs/dbraw/zinc/05/72/35/491057235.db2.gz UQJXZNVNIGVTLU-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@H]1C(C)C 307225906 491059596 /nfs/dbraw/zinc/05/95/96/491059596.db2.gz UZRCLFUSZGAMRN-LBPRGKRZSA-N 1 1 179.307 2.520 20 30 AFEDMO CC#CCC[N@H+]1CCC[C@@H]1C(C)C 307225905 491059644 /nfs/dbraw/zinc/05/96/44/491059644.db2.gz UZRCLFUSZGAMRN-GFCCVEGCSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C(C)CC[N@@H+]1C[C@H]2CCC[C@H]2C1 307232347 491059794 /nfs/dbraw/zinc/05/97/94/491059794.db2.gz CSZGIMBOOWTTFU-TXEJJXNPSA-N 1 1 179.307 2.685 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]1C 307523931 491063309 /nfs/dbraw/zinc/06/33/09/491063309.db2.gz ZVIVTLGXBFFEOO-SDDRHHMPSA-N 1 1 179.307 2.683 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]1C 307523930 491063321 /nfs/dbraw/zinc/06/33/21/491063321.db2.gz ZVIVTLGXBFFEOO-QJPTWQEYSA-N 1 1 179.307 2.683 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1C 307523928 491063436 /nfs/dbraw/zinc/06/34/36/491063436.db2.gz ZVIVTLGXBFFEOO-GRYCIOLGSA-N 1 1 179.307 2.683 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@H]1C 307523929 491063451 /nfs/dbraw/zinc/06/34/51/491063451.db2.gz ZVIVTLGXBFFEOO-IJLUTSLNSA-N 1 1 179.307 2.683 20 30 AFEDMO C=C(CC)C[N@H+]1CCC(C)(C)C1 307559228 491064050 /nfs/dbraw/zinc/06/40/50/491064050.db2.gz WVAMCPGHPQZWJH-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)CC[N@H+]1CC[C@H]2CCC[C@H]21 307560297 491064110 /nfs/dbraw/zinc/06/41/10/491064110.db2.gz XMHNNWIBYAGWKR-VXGBXAGGSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCC[C@H]21 307560292 491064120 /nfs/dbraw/zinc/06/41/20/491064120.db2.gz XMHNNWIBYAGWKR-NWDGAFQWSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)CC[N@H+]1CC[C@H]2CCC[C@@H]21 307560289 491064187 /nfs/dbraw/zinc/06/41/87/491064187.db2.gz XMHNNWIBYAGWKR-NEPJUHHUSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCC[C@@H]21 307560294 491064196 /nfs/dbraw/zinc/06/41/96/491064196.db2.gz XMHNNWIBYAGWKR-RYUDHWBXSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@H]1C 307614697 491065189 /nfs/dbraw/zinc/06/51/89/491065189.db2.gz LKDWVXSZWOMVNT-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@@H]1C 307614698 491065195 /nfs/dbraw/zinc/06/51/95/491065195.db2.gz LKDWVXSZWOMVNT-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@@H]1C 307614699 491065212 /nfs/dbraw/zinc/06/52/12/491065212.db2.gz LKDWVXSZWOMVNT-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@H]1C 307614700 491065318 /nfs/dbraw/zinc/06/53/18/491065318.db2.gz LKDWVXSZWOMVNT-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(C)C[N@H+]1[C@@H](CC)CC[C@H]1C 307753540 491070311 /nfs/dbraw/zinc/07/03/11/491070311.db2.gz WGXRNDUOKPAYDW-MNOVXSKESA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@@H](C)CC1 307671182 491067139 /nfs/dbraw/zinc/06/71/39/491067139.db2.gz WKCJCEHJVBJPLK-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(CC)C[N@H+]1CCS[C@H](C)CC1 307671181 491067146 /nfs/dbraw/zinc/06/71/46/491067146.db2.gz WKCJCEHJVBJPLK-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(CC)C[N@H+]1CCCC[C@H]1C 307678538 491067259 /nfs/dbraw/zinc/06/72/59/491067259.db2.gz KYEABVRESIVDRS-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1C 307678540 491067321 /nfs/dbraw/zinc/06/73/21/491067321.db2.gz KYEABVRESIVDRS-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO CC#CCC[N@H+]1CCCC[C@@H](C)C1 307754050 491070398 /nfs/dbraw/zinc/07/03/98/491070398.db2.gz XZSSUDMYMSFVGT-GFCCVEGCSA-N 1 1 179.307 2.522 20 30 AFEDMO CC#CCC[N@H+]1CCCC[C@H](C)C1 307754051 491070442 /nfs/dbraw/zinc/07/04/42/491070442.db2.gz XZSSUDMYMSFVGT-LBPRGKRZSA-N 1 1 179.307 2.522 20 30 AFEDMO C=C(C)CC[N@H+]1[C@@H](C)CC[C@H]1C 307736970 491069481 /nfs/dbraw/zinc/06/94/81/491069481.db2.gz TVALPFATPQUJHT-PHIMTYICSA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(C)C[N@@H+]1[C@@H](C)CC[C@@H]1CC 307753541 491070234 /nfs/dbraw/zinc/07/02/34/491070234.db2.gz WGXRNDUOKPAYDW-QWRGUYRKSA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(CC)C[N@@H+]1CC=C(C)CC1 307758328 491070646 /nfs/dbraw/zinc/07/06/46/491070646.db2.gz OJVVNUVAFUGEFA-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO C=C(C)C[N@@H+]1[C@H](C)CC[C@H]1CC 307753539 491070244 /nfs/dbraw/zinc/07/02/44/491070244.db2.gz WGXRNDUOKPAYDW-GHMZBOCLSA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(C)C[N@@H+]1[C@@H](C)CC[C@H]1CC 307753542 491070185 /nfs/dbraw/zinc/07/01/85/491070185.db2.gz WGXRNDUOKPAYDW-WDEREUQCSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CCC[N@H+](C)CC/C=C\CC 308017115 491076329 /nfs/dbraw/zinc/07/63/29/491076329.db2.gz RBFVIPNZPDWLAO-VURMDHGXSA-N 1 1 167.296 2.851 20 30 AFEDMO C=CC[N@H+](C)[C@@H](C)CCCC 307872800 491070805 /nfs/dbraw/zinc/07/08/05/491070805.db2.gz MCYVYPFZGANUML-JTQLQIEISA-N 1 1 155.285 2.683 20 30 AFEDMO C=CC[N@H+](C)[C@H](C)CCCC 307872803 491070872 /nfs/dbraw/zinc/07/08/72/491070872.db2.gz MCYVYPFZGANUML-SNVBAGLBSA-N 1 1 155.285 2.683 20 30 AFEDMO C=CC[N@H+](C)CCCC(C)C 307884009 491070969 /nfs/dbraw/zinc/07/09/69/491070969.db2.gz SQCJDKANICLQAZ-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=C(CC)C[N@H+](C)CCCC 307890060 491071054 /nfs/dbraw/zinc/07/10/54/491071054.db2.gz YMHYSVKVAXAJST-UHFFFAOYSA-N 1 1 155.285 2.685 20 30 AFEDMO C=CC[N@H+](CC)CC(C)(C)C 307908318 491071159 /nfs/dbraw/zinc/07/11/59/491071159.db2.gz UDPHPNMGYYRWCH-UHFFFAOYSA-N 1 1 155.285 2.540 20 30 AFEDMO C=CCC[N@H+](CC)CCC1CC1 307946256 491072044 /nfs/dbraw/zinc/07/20/44/491072044.db2.gz JMFWZGPXZOLDGN-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO CCC#C[C@@H](C)[N@H+](C)CCCC 307945461 491072143 /nfs/dbraw/zinc/07/21/43/491072143.db2.gz ILSFSXMJMICCDT-LLVKDONJSA-N 1 1 167.296 2.520 20 30 AFEDMO CCC#C[C@H](C)[N@H+](C)CCCC 307945462 491072162 /nfs/dbraw/zinc/07/21/62/491072162.db2.gz ILSFSXMJMICCDT-NSHDSACASA-N 1 1 167.296 2.520 20 30 AFEDMO C=C(C)C[N@H+](C)CCCC(C)C 307952324 491072508 /nfs/dbraw/zinc/07/25/08/491072508.db2.gz OWKLEADTJWQWNK-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCC[N@H+](CC)CC1CCC1 307950996 491072523 /nfs/dbraw/zinc/07/25/23/491072523.db2.gz OAOPZBVZFSIDBX-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)CC[N@H+](CC)CC1CC1 307954087 491072787 /nfs/dbraw/zinc/07/27/87/491072787.db2.gz QEVXNLJLNIEQJE-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(CC)C[N@H+](C)C[C@@H](C)CC 307958293 491072890 /nfs/dbraw/zinc/07/28/90/491072890.db2.gz SWLBNAUVDUCGAL-NSHDSACASA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@H+](C)CCC(C)(C)CC 307958622 491072991 /nfs/dbraw/zinc/07/29/91/491072991.db2.gz TZBMUQOXUBZKLH-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=C(CC)C[N@H+](C)C[C@H](C)CC 307958292 491073031 /nfs/dbraw/zinc/07/30/31/491073031.db2.gz SWLBNAUVDUCGAL-LLVKDONJSA-N 1 1 169.312 2.931 20 30 AFEDMO C=C(C)CC[N@H+](C)CCC(C)C 307961210 491073111 /nfs/dbraw/zinc/07/31/11/491073111.db2.gz LKLFJHWWABDEFD-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CC[N@@H+]1CCC(CC)(CC)C1 307960265 491073126 /nfs/dbraw/zinc/07/31/26/491073126.db2.gz VUTAEDYUAILOKO-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCC[N@@H+]1CC[C@@](C)(CC)C1 307961647 491073174 /nfs/dbraw/zinc/07/31/74/491073174.db2.gz XLAIFIKWMVLIBG-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCC[N@@H+]1CC[C@](C)(CC)C1 307961648 491073176 /nfs/dbraw/zinc/07/31/76/491073176.db2.gz XLAIFIKWMVLIBG-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[N@H+](C)[C@@H](C)c1cccs1 307964597 491073458 /nfs/dbraw/zinc/07/34/58/491073458.db2.gz ZUGFISBTXDONFX-VIFPVBQESA-N 1 1 181.304 2.927 20 30 AFEDMO C=CC[N@H+](C)[C@H](C)c1cccs1 307964594 491073558 /nfs/dbraw/zinc/07/35/58/491073558.db2.gz ZUGFISBTXDONFX-SECBINFHSA-N 1 1 181.304 2.927 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@H](CC)C1 308012269 491076004 /nfs/dbraw/zinc/07/60/04/491076004.db2.gz NIRXVHVRMSYFED-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO CC#CC[N@H+](CC)C(CC)CC 307974190 491074077 /nfs/dbraw/zinc/07/40/77/491074077.db2.gz JMAQWBMFLYAALO-UHFFFAOYSA-N 1 1 167.296 2.520 20 30 AFEDMO C=C(C)CC[N@@H+](C)CCC1CC1 307974372 491074204 /nfs/dbraw/zinc/07/42/04/491074204.db2.gz JRUAWRIAXCRLBG-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@@H](CC)C1 308012267 491076082 /nfs/dbraw/zinc/07/60/82/491076082.db2.gz NIRXVHVRMSYFED-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)CC[N@H+](CC)CC(=C)C 308008914 491076090 /nfs/dbraw/zinc/07/60/90/491076090.db2.gz KCNIIWAFOMHJEE-UHFFFAOYSA-N 1 1 167.296 2.851 20 30 AFEDMO C=C(C)CC[N@H+](CC)CC(C)C 308014148 491076094 /nfs/dbraw/zinc/07/60/94/491076094.db2.gz OPYJOEPSMDBOHH-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCC[N@@H+]1[C@H](C)CC[C@H]1CC 307977114 491074334 /nfs/dbraw/zinc/07/43/34/491074334.db2.gz MDCWAECLXXOPBE-GHMZBOCLSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CCC[N@H+]1[C@@H](CC)CC[C@H]1C 307977115 491074359 /nfs/dbraw/zinc/07/43/59/491074359.db2.gz MDCWAECLXXOPBE-MNOVXSKESA-N 1 1 167.296 2.825 20 30 AFEDMO C=CCC[N@@H+]1[C@@H](C)CC[C@@H]1CC 307977117 491074369 /nfs/dbraw/zinc/07/43/69/491074369.db2.gz MDCWAECLXXOPBE-QWRGUYRKSA-N 1 1 167.296 2.825 20 30 AFEDMO C=CCC[N@@H+]1[C@@H](C)CC[C@H]1CC 307977118 491074396 /nfs/dbraw/zinc/07/43/96/491074396.db2.gz MDCWAECLXXOPBE-WDEREUQCSA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(CC)C[N@H+](CCC)C1CC1 307982100 491074513 /nfs/dbraw/zinc/07/45/13/491074513.db2.gz PJAFLOFKDIKHHX-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1CCCC 307984799 491074651 /nfs/dbraw/zinc/07/46/51/491074651.db2.gz QRACJASSUNNGDX-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=C(C)C[N@H+](CC)CC1(C)CC1 307984266 491074665 /nfs/dbraw/zinc/07/46/65/491074665.db2.gz QLCPLNOSFNKAHS-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CC 307985607 491074682 /nfs/dbraw/zinc/07/46/82/491074682.db2.gz QYZMCTZKHPQORC-NSHDSACASA-N 1 1 167.296 2.827 20 30 AFEDMO C=CC[N@@H+]1CCC[C@H](CCC)C1 307986220 491074705 /nfs/dbraw/zinc/07/47/05/491074705.db2.gz RDVQIGRIUYBZGO-NSHDSACASA-N 1 1 167.296 2.685 20 30 AFEDMO C=CC[N@@H+]1CCC[C@@H](CCC)C1 307986216 491074729 /nfs/dbraw/zinc/07/47/29/491074729.db2.gz RDVQIGRIUYBZGO-LLVKDONJSA-N 1 1 167.296 2.685 20 30 AFEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CC 307985606 491074780 /nfs/dbraw/zinc/07/47/80/491074780.db2.gz QYZMCTZKHPQORC-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1CCCC 307984797 491074806 /nfs/dbraw/zinc/07/48/06/491074806.db2.gz QRACJASSUNNGDX-LLVKDONJSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCC[N@H+](C)CC/C=C/CC 308017113 491076216 /nfs/dbraw/zinc/07/62/16/491076216.db2.gz RBFVIPNZPDWLAO-SOFGYWHQSA-N 1 1 167.296 2.851 20 30 AFEDMO C=C(C)C[N@H+](CC)CC(=C)CC 307997971 491075114 /nfs/dbraw/zinc/07/51/14/491075114.db2.gz XLBMRZXXQAQBJQ-UHFFFAOYSA-N 1 1 167.296 2.851 20 30 AFEDMO C=C(C)CC[N@H+](CCC)C1CC1 307995338 491075275 /nfs/dbraw/zinc/07/52/75/491075275.db2.gz WARSDDSCEVOEHW-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@H]1C 308031553 491076417 /nfs/dbraw/zinc/07/64/17/491076417.db2.gz JBKIXELRZIGFFF-GHMZBOCLSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@H]1C 308031558 491076441 /nfs/dbraw/zinc/07/64/41/491076441.db2.gz JBKIXELRZIGFFF-WDEREUQCSA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H]1C 308031556 491076473 /nfs/dbraw/zinc/07/64/73/491076473.db2.gz JBKIXELRZIGFFF-QWRGUYRKSA-N 1 1 167.296 2.683 20 30 AFEDMO C=C(CC)C[N@@H+](C)CCC1CC1 308035316 491076515 /nfs/dbraw/zinc/07/65/15/491076515.db2.gz KFPQRADMDYWFBT-UHFFFAOYSA-N 1 1 167.296 2.685 20 30 AFEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@@H]1C 308031555 491076533 /nfs/dbraw/zinc/07/65/33/491076533.db2.gz JBKIXELRZIGFFF-MNOVXSKESA-N 1 1 167.296 2.683 20 30 AFEDMO C=CCCC[N@H+]1[C@@H](C)CC[C@H]1C 308046229 491076683 /nfs/dbraw/zinc/07/66/83/491076683.db2.gz PLCMVAIAPZEKDR-PHIMTYICSA-N 1 1 167.296 2.825 20 30 AFEDMO C=C(CC)C[N@@H+](C)[C@@H](C)C(C)C 308045217 491076740 /nfs/dbraw/zinc/07/67/40/491076740.db2.gz PDTQPIKXLMEZIH-NSHDSACASA-N 1 1 169.312 2.929 20 30 AFEDMO C=C(CC)C[N@@H+](C)[C@H](C)C(C)C 308045212 491076811 /nfs/dbraw/zinc/07/68/11/491076811.db2.gz PDTQPIKXLMEZIH-LLVKDONJSA-N 1 1 169.312 2.929 20 30 AFEDMO C=CCC[N@H+](C)CCCC(C)C 308062212 491077094 /nfs/dbraw/zinc/07/70/94/491077094.db2.gz WWARGYWJIHWXJY-UHFFFAOYSA-N 1 1 169.312 2.931 20 30 AFEDMO C=CCCC[N@@H+]1CCC=C(C)C1 308059408 491077105 /nfs/dbraw/zinc/07/71/05/491077105.db2.gz VTDUFBNJTAGYJE-UHFFFAOYSA-N 1 1 165.280 2.605 20 30 AFEDMO C=CCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 308058131 491077224 /nfs/dbraw/zinc/07/72/24/491077224.db2.gz VIQZLYBFDFEYJX-PHIMTYICSA-N 1 1 167.296 2.540 20 30 AFEDMO C=C(CC)C[N@@H+](C)C1CCCC1 308067369 491077326 /nfs/dbraw/zinc/07/73/26/491077326.db2.gz ZGUCUYQTFQHBGH-UHFFFAOYSA-N 1 1 167.296 2.827 20 30 AFEDMO C=CCCC[N@@H+]1CCC=C(F)C1 308093493 491078121 /nfs/dbraw/zinc/07/81/21/491078121.db2.gz WBVMTCIQBUGRRH-UHFFFAOYSA-N 1 1 169.243 2.512 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@@H](C(C)C)C1 308142888 491080229 /nfs/dbraw/zinc/08/02/29/491080229.db2.gz JRLIFPBQAKWZHH-GFCCVEGCSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCC[N@@H+]1CCC[C@H](C(C)C)C1 308142890 491080289 /nfs/dbraw/zinc/08/02/89/491080289.db2.gz JRLIFPBQAKWZHH-LBPRGKRZSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@@H+]1CCC[C@@H](CC(C)C)C1 308144207 491080587 /nfs/dbraw/zinc/08/05/87/491080587.db2.gz KOFNMQRULQSTRW-LBPRGKRZSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@@H+]1CCC[C@H](CC(C)C)C1 308144204 491080625 /nfs/dbraw/zinc/08/06/25/491080625.db2.gz KOFNMQRULQSTRW-GFCCVEGCSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C(C)C[N@@H+](C)CCCCCF 308162631 491081962 /nfs/dbraw/zinc/08/19/62/491081962.db2.gz SFIWIJZQNWOOLE-UHFFFAOYSA-N 1 1 173.275 2.634 20 30 AFEDMO C=C(C)CC[N@H+](CC(F)F)C(C)C 308158050 491081586 /nfs/dbraw/zinc/08/15/86/491081586.db2.gz SRILHXNRWNFEIA-UHFFFAOYSA-N 1 1 191.265 2.928 20 30 AFEDMO C=C(C)CC[N@@H+](CC(F)F)C(C)C 308158050 491081587 /nfs/dbraw/zinc/08/15/87/491081587.db2.gz SRILHXNRWNFEIA-UHFFFAOYSA-N 1 1 191.265 2.928 20 30 AFEDMO C=CC[N@@H+](C)Cc1ccc(Cl)o1 308160487 491081802 /nfs/dbraw/zinc/08/18/02/491081802.db2.gz RDCJIKJXAKMVFU-UHFFFAOYSA-N 1 1 185.654 2.551 20 30 AFEDMO C=CC[N@H+](C)Cc1ccc(Cl)o1 308160487 491081803 /nfs/dbraw/zinc/08/18/03/491081803.db2.gz RDCJIKJXAKMVFU-UHFFFAOYSA-N 1 1 185.654 2.551 20 30 AFEDMO C=C(C)C[N@@H+](CC)Cc1nccs1 308218475 491085118 /nfs/dbraw/zinc/08/51/18/491085118.db2.gz KELOMAYYSICJPM-UHFFFAOYSA-N 1 1 196.319 2.541 20 30 AFEDMO C=C(C)C[N@H+](CC)Cc1nccs1 308218475 491085119 /nfs/dbraw/zinc/08/51/19/491085119.db2.gz KELOMAYYSICJPM-UHFFFAOYSA-N 1 1 196.319 2.541 20 30 AFEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCSC1 308240841 491086879 /nfs/dbraw/zinc/08/68/79/491086879.db2.gz SOERRGIKJVNBPM-NSHDSACASA-N 1 1 199.363 2.638 20 30 AFEDMO C=C(C)C[N@H+](CC)Cc1cncs1 308237430 491086881 /nfs/dbraw/zinc/08/68/81/491086881.db2.gz RGXVUIOIUHSINF-UHFFFAOYSA-N 1 1 196.319 2.541 20 30 AFEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCSC1 308240840 491087037 /nfs/dbraw/zinc/08/70/37/491087037.db2.gz SOERRGIKJVNBPM-LLVKDONJSA-N 1 1 199.363 2.638 20 30 AFEDMO C=C(C)CC[N@H+]1CCS[C@@H](CC)C1 308245232 491087216 /nfs/dbraw/zinc/08/72/16/491087216.db2.gz VCPWBVGNWHHLGD-NSHDSACASA-N 1 1 199.363 2.780 20 30 AFEDMO C=C(C)CC[N@H+]1CCS[C@H](CC)C1 308245231 491087246 /nfs/dbraw/zinc/08/72/46/491087246.db2.gz VCPWBVGNWHHLGD-LLVKDONJSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CCCC[N@@H+](C)Cc1nccs1 308257974 491089449 /nfs/dbraw/zinc/08/94/49/491089449.db2.gz KWRKXNBNAFLJCN-UHFFFAOYSA-N 1 1 196.319 2.541 20 30 AFEDMO C=CCCC[N@H+](C)Cc1nccs1 308257974 491089450 /nfs/dbraw/zinc/08/94/50/491089450.db2.gz KWRKXNBNAFLJCN-UHFFFAOYSA-N 1 1 196.319 2.541 20 30 AFEDMO C=CCC[N@H+](C)C[C@@H]1CC=CCC1 308261389 491089619 /nfs/dbraw/zinc/08/96/19/491089619.db2.gz MQWRTSDXSQKUQG-GFCCVEGCSA-N 1 1 179.307 2.851 20 30 AFEDMO C=CCC[N@H+](C)C[C@H]1CC=CCC1 308261390 491089675 /nfs/dbraw/zinc/08/96/75/491089675.db2.gz MQWRTSDXSQKUQG-LBPRGKRZSA-N 1 1 179.307 2.851 20 30 AFEDMO C=CCC[N@H+](C)Cc1ccc(Cl)o1 308261867 491089718 /nfs/dbraw/zinc/08/97/18/491089718.db2.gz MYOGLVGHNJUMBK-UHFFFAOYSA-N 1 1 199.681 2.941 20 30 AFEDMO C=CC[N@@H+](C)CCCCC(F)(F)F 308272061 491091123 /nfs/dbraw/zinc/09/11/23/491091123.db2.gz SQMDVNNTKPPOOI-UHFFFAOYSA-N 1 1 195.228 2.837 20 30 AFEDMO C=C(C)C[N@@H+](CC1CC1)C1CCC1 308273627 491091236 /nfs/dbraw/zinc/09/12/36/491091236.db2.gz UGAAFHMENHSWJV-UHFFFAOYSA-N 1 1 179.307 2.827 20 30 AFEDMO C=CCC[N@H+](C)Cc1occc1C 308273669 491091390 /nfs/dbraw/zinc/09/13/90/491091390.db2.gz UHCIVAXLILIXAY-UHFFFAOYSA-N 1 1 179.263 2.596 20 30 AFEDMO CC#CC[N@@H+](CC1CCC1)C(C)C 308274929 491091370 /nfs/dbraw/zinc/09/13/70/491091370.db2.gz VBECDRQGEKADTN-UHFFFAOYSA-N 1 1 179.307 2.520 20 30 AFEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=C)C 308278693 491091548 /nfs/dbraw/zinc/09/15/48/491091548.db2.gz WSQBRVLGDGTIGE-LBPRGKRZSA-N 1 1 179.307 2.993 20 30 AFEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=C)C 308278692 491091656 /nfs/dbraw/zinc/09/16/56/491091656.db2.gz WSQBRVLGDGTIGE-GFCCVEGCSA-N 1 1 179.307 2.993 20 30 AFEDMO C=CC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 308303358 491094528 /nfs/dbraw/zinc/09/45/28/491094528.db2.gz NCQBOAZJGUSVDD-NEPJUHHUSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 308303361 491094563 /nfs/dbraw/zinc/09/45/63/491094563.db2.gz NCQBOAZJGUSVDD-VXGBXAGGSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](C)C[C@H]1CCC[C@H](C)C1 308303360 491094610 /nfs/dbraw/zinc/09/46/10/491094610.db2.gz NCQBOAZJGUSVDD-RYUDHWBXSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](C)C[C@@H]1CCC[C@H](C)C1 308303359 491094636 /nfs/dbraw/zinc/09/46/36/491094636.db2.gz NCQBOAZJGUSVDD-NWDGAFQWSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCCC[N@H+]1CCSC(C)(C)C1 308315597 491096097 /nfs/dbraw/zinc/09/60/97/491096097.db2.gz VECOHCBBCQOCEW-UHFFFAOYSA-N 1 1 199.363 2.780 20 30 AFEDMO C=CC[N@H+](C)C[C@H]1CCCC[C@@H]1C 308335049 491098046 /nfs/dbraw/zinc/09/80/46/491098046.db2.gz NNKYTLQVVIYPPD-NWDGAFQWSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](CC/C=C\CC)C1CC1 308332818 491098056 /nfs/dbraw/zinc/09/80/56/491098056.db2.gz JQFKJHCXSUOXBC-WAYWQWQTSA-N 1 1 179.307 2.993 20 30 AFEDMO C=CC[N@H+](C)C[C@@H]1CCCC[C@H]1C 308335048 491098059 /nfs/dbraw/zinc/09/80/59/491098059.db2.gz NNKYTLQVVIYPPD-NEPJUHHUSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CCCC[N@H+]1CC[C@H](C2CC2)C1 308333915 491097920 /nfs/dbraw/zinc/09/79/20/491097920.db2.gz MPKYGQAADRZQQS-LBPRGKRZSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CCCC[N@H+]1CC[C@@H](C2CC2)C1 308333914 491097929 /nfs/dbraw/zinc/09/79/29/491097929.db2.gz MPKYGQAADRZQQS-GFCCVEGCSA-N 1 1 179.307 2.685 20 30 AFEDMO C=CC[N@H+](CC/C=C/CC)C1CC1 308332811 491097946 /nfs/dbraw/zinc/09/79/46/491097946.db2.gz JQFKJHCXSUOXBC-AATRIKPKSA-N 1 1 179.307 2.993 20 30 AFEDMO C=CC[N@H+](C)C[C@@H]1CCCC[C@@H]1C 308335151 491097953 /nfs/dbraw/zinc/09/79/53/491097953.db2.gz NNKYTLQVVIYPPD-RYUDHWBXSA-N 1 1 181.323 2.931 20 30 AFEDMO C=CC[N@H+](C)C[C@H]1CCCC[C@H]1C 308335152 491097974 /nfs/dbraw/zinc/09/79/74/491097974.db2.gz NNKYTLQVVIYPPD-VXGBXAGGSA-N 1 1 181.323 2.931 20 30 AFEDMO C=C[C@@H]1CCCC[N@H+]1CCC1CC1 308336220 491097976 /nfs/dbraw/zinc/09/79/76/491097976.db2.gz NZVPPDZSMICJOU-GFCCVEGCSA-N 1 1 179.307 2.827 20 30 AFEDMO C=C[C@H]1CCCC[N@H+]1CCC1CC1 308336221 491097993 /nfs/dbraw/zinc/09/79/93/491097993.db2.gz NZVPPDZSMICJOU-LBPRGKRZSA-N 1 1 179.307 2.827 20 30 AFEDMO CCC#C[C@H](C)[N@H+](CC)CCCC 308366059 491099121 /nfs/dbraw/zinc/09/91/21/491099121.db2.gz OAGFFHMEZJPBGP-LBPRGKRZSA-N 1 1 181.323 2.910 20 30 AFEDMO CCC#C[C@@H](C)[N@H+](CC)CCCC 308366058 491099145 /nfs/dbraw/zinc/09/91/45/491099145.db2.gz OAGFFHMEZJPBGP-GFCCVEGCSA-N 1 1 181.323 2.910 20 30 AFEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)o1 308410227 491102249 /nfs/dbraw/zinc/10/22/49/491102249.db2.gz LHOCHUSUTZQHQZ-UHFFFAOYSA-N 1 1 199.681 2.941 20 30 AFEDMO C=CC[N@H+](CC)Cc1occc1C 308413622 491102314 /nfs/dbraw/zinc/10/23/14/491102314.db2.gz MHRORQHZBGELDB-UHFFFAOYSA-N 1 1 179.263 2.596 20 30 AFEDMO C=CCCN(C)c1cc[nH+]cc1Cl 308417070 491102416 /nfs/dbraw/zinc/10/24/16/491102416.db2.gz NKXSDCLFFGCQCV-UHFFFAOYSA-N 1 1 196.681 2.747 20 30 AFEDMO C=CC[N@H+](CCC(F)(F)F)C1CC1 308418540 491102458 /nfs/dbraw/zinc/10/24/58/491102458.db2.gz RNDWJVRSFAOSMN-UHFFFAOYSA-N 1 1 193.212 2.589 20 30 AFEDMO C=CC[N@H+](C)C[C@@H](C)C(C)(C)C 388402713 491119471 /nfs/dbraw/zinc/11/94/71/491119471.db2.gz PJLUBBJUDGWERR-SNVBAGLBSA-N 1 1 169.312 2.786 20 30 AFEDMO C=CC[N@H+](C)C[C@H](C)C(C)(C)C 388402712 491119480 /nfs/dbraw/zinc/11/94/80/491119480.db2.gz PJLUBBJUDGWERR-JTQLQIEISA-N 1 1 169.312 2.786 20 30 AFEDMO C#CC[N@H+](C)CCCCCCCC 231557596 1188793048 /nfs/dbraw/zinc/79/30/48/1188793048.db2.gz QUIXWNZTZYQSAR-UHFFFAOYSA-N 1 1 181.323 2.912 20 30 AFEDMO C=C(CC)C[N@@H+](C)CCC(F)(F)F 308309995 1188811444 /nfs/dbraw/zinc/81/14/44/1188811444.db2.gz QREHFCGSZHNPGU-UHFFFAOYSA-N 1 1 195.228 2.837 20 30 AFEDMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 769961833 1188825621 /nfs/dbraw/zinc/82/56/21/1188825621.db2.gz NSAFGFMMECHVDZ-RWMBFGLXSA-N 1 1 193.334 2.766 20 30 AFEDMO C#CCCC[N@@H+](CC1CCC1)C(C)C 769928061 1188825728 /nfs/dbraw/zinc/82/57/28/1188825728.db2.gz QUIKAQOVRRNPQV-UHFFFAOYSA-N 1 1 193.334 2.910 20 30 AFEDMO